*HEADER    TRANSCRIPTION                           26-JAN-15   2RV1              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF13) 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 878-907;                                      
*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: P060718-07                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV1    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:  CG NE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,90,71,72, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=92,100,95,96, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=104,109,107,108, &end
#
#  chirality for residue 10 atoms:  CB SD HG2 HG3
 &rst iat=106,112,110,111, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=102,117,105,106, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=121,126,124,125, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=123,129,127,128, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=129,135,133,134, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=126,132,130,131, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=119,139,122,123, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=161,155,159,160, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=158,152,156,157, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=155,151,153,154, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=151,163,162,158, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=165,184,168,169, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=196,206,199,200, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=210,215,213,214, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=208,226,211,212, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=230,235,233,234, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=228,247,231,232, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=251,256,254,255, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=249,267,252,253, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=271,276,274,275, &end
#
#  chirality for residue 20 atoms:  CB SD HG2 HG3
 &rst iat=273,279,277,278, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=269,284,272,273, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=296,302,300,301, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=286,306,289,290, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=308,320,311,312, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat=331,336,334,335, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=329,338,332,333, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=342,347,345,346, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=340,350,343,344, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=354,359,357,358, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=356,361,365,360, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=352,369,355,356, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=375,381,379,380, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=371,386,374,375, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=390,395,393,394, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=392,398,396,397, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=395,401,399,400, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=388,410,391,392, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=414,419,417,418, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=412,427,415,416, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=431,435,439,434, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=433,442,440,441, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=429,446,432,433, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=450,455,453,454, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=448,470,451,452, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=472,480,475,476, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=484,489,487,488, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=482,497,485,486, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=503,509,507,508, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=499,512,502,503, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=514,519,517,518, &end
#
#  chirality for residue 36 atoms:  CA CG1 CG2 HB
 &rst iat=523,527,531,526, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=521,535,524,525, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=539,544,542,543, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=541,547,545,546, &end
#
#  chirality for residue 37 atoms:  CD NZ HE2 HE3
 &rst iat=547,553,551,552, &end
#
#  chirality for residue 37 atoms:  CG CE HD2 HD3
 &rst iat=544,550,548,549, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=537,557,540,541, &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=94,92,90,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=104,102,100,94, &end
#
#  trans-omega constraint for residue 11
 &rst iat=121,119,117,104, &end
#
#  trans-omega constraint for residue 12
 &rst iat=143,141,139,121, &end
#
#  trans-omega constraint for residue 13
 &rst iat=161,151,149,143, &end
#
#  trans-omega constraint for residue 14
 &rst iat=167,165,163,161, &end
#
#  trans-omega constraint for residue 15
 &rst iat=188,186,184,167, &end
#
#  trans-omega constraint for residue 16
 &rst iat=198,196,194,188, &end
#
#  trans-omega constraint for residue 17
 &rst iat=210,208,206,198, &end
#
#  trans-omega constraint for residue 18
 &rst iat=230,228,226,210, &end
#
#  trans-omega constraint for residue 19
 &rst iat=251,249,247,230, &end
#
#  trans-omega constraint for residue 20
 &rst iat=271,269,267,251, &end
#
#  trans-omega constraint for residue 21
 &rst iat=288,286,284,271, &end
#
#  trans-omega constraint for residue 22
 &rst iat=310,308,306,288, &end
#
#  trans-omega constraint for residue 23
 &rst iat=324,322,320,310, &end
#
#  trans-omega constraint for residue 24
 &rst iat=331,329,327,324, &end
#
#  trans-omega constraint for residue 25
 &rst iat=342,340,338,331, &end
#
#  trans-omega constraint for residue 26
 &rst iat=354,352,350,342, &end
#
#  trans-omega constraint for residue 27
 &rst iat=373,371,369,354, &end
#
#  trans-omega constraint for residue 28
 &rst iat=390,388,386,373, &end
#
#  trans-omega constraint for residue 29
 &rst iat=414,412,410,390, &end
#
#  trans-omega constraint for residue 30
 &rst iat=431,429,427,414, &end
#
#  trans-omega constraint for residue 31
 &rst iat=450,448,446,431, &end
#
#  trans-omega constraint for residue 32
 &rst iat=474,472,470,450, &end
#
#  trans-omega constraint for residue 33
 &rst iat=484,482,480,474, &end
#
#  trans-omega constraint for residue 34
 &rst iat=501,499,497,484, &end
#
#  trans-omega constraint for residue 35
 &rst iat=516,514,512,501, &end
#
#  trans-omega constraint for residue 36
 &rst iat=523,521,519,516, &end
#
#  trans-omega constraint for residue 37
 &rst iat=539,537,535,523, &end
#
# 8 ARG HA 8 ARG QD 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  79,  80,
 &end
#
# 8 ARG HA 8 ARG QG 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=  76,  77,
 &end
#
# 8 ARG HA 9 ALA HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  93, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 8 ARG HA 9 ALA QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=  97,  98,  99,
 &end
#
# 8 ARG HB2 8 ARG QD 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  79,  80,
 &end
#
# 8 ARG HB3 8 ARG QD 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  79,  80,
 &end
#
# 9 ALA HA 10 MET HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 9 ALA HA 10 MET QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
# 9 ALA HN 10 MET HN 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 103, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 9 ALA HN 9 ALA QB 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  97,  98,  99,
 &end
#
# 9 ALA QB 10 MET HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  97,  98,  99,
 &end
#
# 9 ALA QB 10 MET QB 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  97,  98,  99,
 igr2= 107, 108,
 &end
#
# 9 ALA QB 10 MET QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  97,  98,  99,
 igr2= 110, 111,
 &end
#
# 9 ALA QB 18 TYR HB2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=  97,  98,  99,
 &end
#
# 9 ALA QB 18 TYR HB3 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  97,  98,  99,
 &end
#
# 9 ALA QB 18 TYR QD 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  97,  98,  99,
 igr2= 237, 246,
 &end
#
# 9 ALA QB 18 TYR QE 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=  97,  98,  99,
 igr2= 239, 244,
 &end
#
# 10 MET HA 10 MET QG 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 110, 111,
 &end
#
# 10 MET HA 11 LYS HN 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 120, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 10 MET HA 11 LYS QB 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 124, 125,
 &end
#
# 10 MET HB2 11 LYS HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 120, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 10 MET HB2 26 LEU QD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 366, 367, 368,
 &end
#
# 10 MET HB3 11 LYS HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 120, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 10 MET HB3 26 LEU QD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 366, 367, 368,
 &end
#
# 10 MET HN 10 MET QB 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 107, 108,
 &end
#
# 10 MET HN 10 MET QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 110, 111,
 &end
#
# 10 MET HN 11 LYS HN 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 120, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 10 MET HN 18 TYR HB3 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 234, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 10 MET HN 18 TYR QD 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 237, 246,
 &end
#
# 10 MET QE 11 LYS HA 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 114, 115, 116,
 &end
#
# 10 MET QE 12 CYM  HA 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 114, 115, 116,
 &end
#
# 10 MET QE 12 CYM  QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 114, 115, 116,
 igr2= 147, 146,
 &end
#
# 10 MET QE 13 PRO HD3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 114, 115, 116,
 &end
#
# 10 MET QE 18 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115, 116,
 igr2= 239, 244,
 &end
#
# 10 MET QE 19 PHE QB 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 114, 115, 116,
 igr2= 254, 255,
 &end
#
# 10 MET QE 19 PHE QE 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115, 116,
 igr2= 260, 264,
 &end
#
# 10 MET QE 26 LEU QB 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 114, 115, 116,
 igr2= 357, 358,
 &end
#
# 10 MET QE 26 LEU QD1 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 114, 115, 116,
 igr2= 362, 363, 364,
 &end
#
# 10 MET QE 26 LEU QD2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 114, 115, 116,
 igr2= 366, 367, 368,
 &end
#
# 10 MET QE 30 ILE QD1 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115, 116,
 igr2= 443, 444, 445,
 &end
#
# 10 MET QG 10 MET QE 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 110, 111,
 igr2= 114, 115, 116,
 &end
#
# 10 MET QG 11 LYS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 110, 111,
 &end
#
# 10 MET QG 11 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= 110, 111,
 igr2= 124, 125,
 &end
#
# 10 MET QG 12 CYM  HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
# 10 MET QG 26 LEU QD1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 110, 111,
 igr2= 362, 363, 364,
 &end
#
# 10 MET QG 26 LEU QD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 110, 111,
 igr2= 366, 367, 368,
 &end
#
# 11 LYS HA 11 LYS QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 133, 134,
 &end
#
# 11 LYS HA 12 CYM  HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 142, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 11 LYS HA 12 CYM  QB 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 147, 146,
 &end
#
# 11 LYS HA 18 TYR HA 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 231, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 11 LYS HA 18 TYR HB3 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 234, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 11 LYS HA 18 TYR QD 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 237, 246,
 &end
#
# 11 LYS HA 19 PHE HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 250, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 11 LYS HB2 11 LYS QE 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 133, 134,
 &end
#
# 11 LYS HB2 12 CYM  HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 142, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 11 LYS HB3 11 LYS QE 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 133, 134,
 &end
#
# 11 LYS HB3 12 CYM  HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 11 LYS HD2 18 TYR QE 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 239, 244,
 &end
#
# 11 LYS HD3 18 TYR QE 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 239, 244,
 &end
#
# 11 LYS HG2 11 LYS QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 133, 134,
 &end
#
# 11 LYS HG2 12 CYM  HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 11 LYS HG2 18 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 239, 244,
 &end
#
# 11 LYS HG3 11 LYS QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 133, 134,
 &end
#
# 11 LYS HG3 12 CYM  HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 142, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 11 LYS HG3 18 TYR QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 239, 244,
 &end
#
# 11 LYS HN 11 LYS HB2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11 LYS HN 11 LYS HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11 LYS HN 11 LYS QB 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 124, 125,
 &end
#
# 11 LYS HN 11 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 130, 131,
 &end
#
# 11 LYS HN 11 LYS QG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 127, 128,
 &end
#
# 11 LYS HN 12 CYM  HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 142, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 11 LYS HN 18 TYR QE 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 239, 244,
 &end
#
# 11 LYS QB 11 LYS QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 124, 125,
 igr2= 133, 134,
 &end
#
# 11 LYS QB 18 TYR QE 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 124, 125,
 igr2= 239, 244,
 &end
#
# 11 LYS QD 16 ASP HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 130, 131,
 &end
#
# 11 LYS QD 18 TYR QE 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 130, 131,
 igr2= 239, 244,
 &end
#
# 11 LYS QE 16 ASP HA 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 133, 134,
 &end
#
# 11 LYS QE 18 TYR QE 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 133, 134,
 igr2= 239, 244,
 &end
#
# 11 LYS QG 11 LYS QE 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 127, 128,
 igr2= 133, 134,
 &end
#
# 11 LYS QG 12 CYM  HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 127, 128,
 &end
#
# 11 LYS QG 12 CYM  QB 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 127, 128,
 igr2= 147, 146,
 &end
#
# 11 LYS QG 18 TYR QD 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 127, 128,
 igr2= 237, 246,
 &end
#
# 11 LYS QG 18 TYR QE 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 127, 128,
 igr2= 239, 244,
 &end
#
# 12 CYM  HA 13 PRO HD3 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 154, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 12 CYM  HA 13 PRO HG2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 156, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 12 CYM  HA 13 PRO HG3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 157, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 12 CYM  HA 26 LEU QD1 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 362, 363, 364,
 &end
#
# 12 CYM  HA 30 ILE QD1 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 443, 444, 445,
 &end
#
# 12 CYM  HA 30 ILE QG1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 440, 441,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 187, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 12 CYM  HB3 15 CYM  HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 187, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 12 CYM  HN 17 PHE QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 213, 214,
 &end
#
# 12 CYM  HN 18 TYR HA 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 231, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 12 CYM  HN 19 PHE HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 12 CYM  QB 13 PRO HD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 147, 146,
 &end
#
# 12 CYM  QB 13 PRO HD3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 147, 146,
 &end
#
# 12 CYM  QB 14 TYR HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 147, 146,
 &end
#
# 12 CYM  QB 14 TYR QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 147, 146,
 igr2= 170, 171,
 &end
#
# 12 CYM  QB 15 CYM  HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 147, 146,
 &end
#
# 12 CYM  QB 17 PHE HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 147, 146,
 &end
#
# 12 CYM  QB 17 PHE QB 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 147, 146,
 igr2= 213, 214,
 &end
#
# 12 CYM  QB 19 PHE QE 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 147, 146,
 igr2= 260, 264,
 &end
#
# 12 CYM  QB 26 LEU QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 147, 146,
 igr2= 362, 363, 364,
 &end
#
# 13 PRO HA 30 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 443, 444, 445,
 &end
#
# 13 PRO HD2 14 TYR HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 166, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 13 PRO HD2 14 TYR QD 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 174, 183,
 &end
#
# 13 PRO HD2 15 CYM  HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 187, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 13 PRO HD2 26 LEU QD1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 362, 363, 364,
 &end
#
# 13 PRO HD2 26 LEU QD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 366, 367, 368,
 &end
#
# 13 PRO HD2 30 ILE HA 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 432, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 13 PRO HD2 30 ILE QD1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 443, 444, 445,
 &end
#
# 13 PRO HD2 30 ILE QG1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 440, 441,
 &end
#
# 13 PRO HD2 30 ILE QG2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 436, 437, 438,
 &end
#
# 13 PRO HD3 14 TYR QD 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 174, 183,
 &end
#
# 13 PRO HD3 26 LEU QD1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 362, 363, 364,
 &end
#
# 13 PRO HD3 30 ILE QD1 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 443, 444, 445,
 &end
#
# 13 PRO HG2 14 TYR HA 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 168, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 13 PRO HG2 14 TYR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 13 PRO HG2 14 TYR QD 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 174, 183,
 &end
#
# 13 PRO HG2 14 TYR QE 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 176, 181,
 &end
#
# 13 PRO HG2 30 ILE QG2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 436, 437, 438,
 &end
#
# 13 PRO HG3 14 TYR QE 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 176, 181,
 &end
#
# 13 PRO HG3 30 ILE QD1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 443, 444, 445,
 &end
#
# 13 PRO HG3 30 ILE QG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 436, 437, 438,
 &end
#
# 13 PRO QB 14 TYR QD 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 159, 160,
 igr2= 174, 183,
 &end
#
# 13 PRO QB 14 TYR QE 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 159, 160,
 igr2= 176, 181,
 &end
#
# 14 TYR HA 14 TYR QD 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 174, 183,
 &end
#
# 14 TYR HA 14 TYR QE 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 176, 181,
 &end
#
# 14 TYR HB2 15 CYM  HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 187, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 14 TYR HB2 33 HIS HE1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 493, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 14 TYR HB3 15 CYM  HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 187, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 14 TYR HB3 33 HIS HE1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 493, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 14 TYR HN 14 TYR HB2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 170, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 14 TYR HN 14 TYR HB3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 14 TYR HN 14 TYR QD 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 174, 183,
 &end
#
# 14 TYR HN 14 TYR QE 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 176, 181,
 &end
#
# 14 TYR HN 15 CYM  HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 187, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 14 TYR HN 30 ILE QG1 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 440, 441,
 &end
#
# 14 TYR QB 33 HIS HB2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 170, 171,
 &end
#
# 14 TYR QD 15 CYM  HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 174, 183,
 &end
#
# 14 TYR QD 30 ILE HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 174, 183,
 &end
#
# 14 TYR QD 30 ILE QD1 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 174, 183,
 igr2= 443, 444, 445,
 &end
#
# 14 TYR QD 30 ILE QG1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 174, 183,
 igr2= 440, 441,
 &end
#
# 14 TYR QD 30 ILE QG2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 174, 183,
 igr2= 436, 437, 438,
 &end
#
# 14 TYR QD 33 HIS HB2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 174, 183,
 &end
#
# 14 TYR QD 33 HIS HD2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 174, 183,
 &end
#
# 14 TYR QE 30 ILE HA 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 176, 181,
 &end
#
# 14 TYR QE 30 ILE QD1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 176, 181,
 igr2= 443, 444, 445,
 &end
#
# 14 TYR QE 30 ILE QG1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 176, 181,
 igr2= 440, 441,
 &end
#
# 14 TYR QE 30 ILE QG2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 176, 181,
 igr2= 436, 437, 438,
 &end
#
# 14 TYR QE 34 GLU HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 176, 181,
 &end
#
# 14 TYR QE 34 GLU HG2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 181,
 &end
#
# 14 TYR QE 34 GLU HG3 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 176, 181,
 &end
#
# 14 TYR QE 34 GLU HN 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 176, 181,
 &end
#
# 14 TYR QE 34 GLU QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 176, 181,
 igr2= 504, 505,
 &end
#
# 14 TYR QE 34 GLU QG 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 176, 181,
 igr2= 507, 508,
 &end
#
# 15 CYM  HA 33 HIS HE1 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 493, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 15 CYM  HB2 16 ASP HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 15 CYM  HB2 16 ASP QB 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 201, 202,
 &end
#
# 15 CYM  HB2 33 HIS HE1 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 493, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 15 CYM  HB3 16 ASP HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 197, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 15 CYM  HB3 33 HIS HE1 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 493, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 16 ASP HN 16 ASP HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 16 ASP HN 16 ASP HB3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 17 PHE HA 17 PHE QD 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 217, 225,
 &end
#
# 17 PHE HA 18 TYR HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 229, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 17 PHE HA 18 TYR QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 237, 246,
 &end
#
# 17 PHE HN 17 PHE HB2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 17 PHE HN 17 PHE HB3 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 214, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 17 PHE QB 18 TYR HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 213, 214,
 &end
#
# 18 TYR HB3 19 PHE HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 250, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 18 TYR HN 18 TYR HB2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 18 TYR HN 18 TYR QD 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 237, 246,
 &end
#
# 18 TYR HN 18 TYR QE 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 239, 244,
 &end
#
# 19 PHE HA 19 PHE QD 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 258, 266,
 &end
#
# 19 PHE HB2 26 LEU QD1 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 362, 363, 364,
 &end
#
# 19 PHE HB3 26 LEU QD1 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 362, 363, 364,
 &end
#
# 19 PHE HN 19 PHE QD 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 258, 266,
 &end
#
# 19 PHE HZ 29 HIS QB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 417, 418,
 &end
#
# 19 PHE QB 26 LEU QD1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 254, 255,
 igr2= 362, 363, 364,
 &end
#
# 19 PHE QB 26 LEU QD2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 254, 255,
 igr2= 366, 367, 368,
 &end
#
# 19 PHE QD 19 PHE HZ 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 258, 266,
 &end
#
# 19 PHE QD 25 ASP QB 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 258, 266,
 igr2= 345, 346,
 &end
#
# 19 PHE QD 26 LEU QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 258, 266,
 igr2= 362, 363, 364,
 &end
#
# 19 PHE QE 25 ASP QB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 260, 264,
 igr2= 345, 346,
 &end
#
# 19 PHE QE 26 LEU QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 260, 264,
 igr2= 362, 363, 364,
 &end
#
# 19 PHE QE 29 HIS QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 260, 264,
 igr2= 417, 418,
 &end
#
# 20 MET HA 20 MET QE 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 281, 282, 283,
 &end
#
# 20 MET HG2 20 MET QE 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 281, 282, 283,
 &end
#
# 20 MET HG3 20 MET QE 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 281, 282, 283,
 &end
#
# 20 MET QB 21 LYS HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 274, 275,
 &end
#
# 20 MET QE 21 LYS HA 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 281, 282, 283,
 &end
#
# 20 MET QE 21 LYS QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 281, 282, 283,
 igr2= 297, 298,
 &end
#
# 20 MET QE 21 LYS QE 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 281, 282, 283,
 igr2= 300, 301,
 &end
#
# 20 MET QE 21 LYS QG 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 281, 282, 283,
 igr2= 294, 295,
 &end
#
# 20 MET QG 20 MET QE 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 277, 278,
 igr2= 281, 282, 283,
 &end
#
# 21 LYS HA 21 LYS QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 297, 298,
 &end
#
# 21 LYS HA 21 LYS QG 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 294, 295,
 &end
#
# 21 LYS QB 21 LYS QE 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 291, 292,
 igr2= 300, 301,
 &end
#
# 21 LYS QG 21 LYS QE 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 294, 295,
 igr2= 300, 301,
 &end
#
# 24 SER HA 26 LEU HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 353, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 24 SER HA 27 GLN HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 372, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 24 SER HA 27 GLN QB 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 376, 377,
 &end
#
# 24 SER HA 27 GLN QG 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 379, 380,
 &end
#
# 24 SER HA 28 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ASP HA 28 ARG HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 389, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 25 ASP HA 28 ARG QB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 393, 394,
 &end
#
# 25 ASP QB 26 LEU HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 345, 346,
 &end
#
# 26 LEU HA 26 LEU QD1 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 362, 363, 364,
 &end
#
# 26 LEU HA 26 LEU QD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 366, 367, 368,
 &end
#
# 26 LEU HA 29 HIS QB 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 417, 418,
 &end
#
# 26 LEU HA 30 ILE QD1 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 443, 444, 445,
 &end
#
# 26 LEU HB2 26 LEU QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 362, 363, 364,
 &end
#
# 26 LEU HB2 26 LEU QD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 366, 367, 368,
 &end
#
# 26 LEU HB2 27 GLN HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 26 LEU HB3 26 LEU QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 362, 363, 364,
 &end
#
# 26 LEU HB3 26 LEU QD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 366, 367, 368,
 &end
#
# 26 LEU HB3 27 GLN HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 26 LEU HG 27 GLN HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 26 LEU HG 29 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LEU HG 30 ILE HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 430, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 26 LEU HG 30 ILE QD1 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 443, 444, 445,
 &end
#
# 26 LEU HN 26 LEU HB2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 26 LEU HN 26 LEU HB3 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 26 LEU HN 26 LEU QB 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 357, 358,
 &end
#
# 26 LEU HN 26 LEU QD1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 362, 363, 364,
 &end
#
# 26 LEU HN 26 LEU QD2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 366, 367, 368,
 &end
#
# 26 LEU QB 26 LEU QD2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 357, 358,
 igr2= 366, 367, 368,
 &end
#
# 26 LEU QB 27 GLN HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 357, 358,
 &end
#
# 26 LEU QD1 29 HIS HD2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 29 HIS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 29 HIS QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 362, 363, 364,
 igr2= 417, 418,
 &end
#
# 26 LEU QD1 30 ILE HA 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 30 ILE HG12 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 30 ILE HG13 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 30 ILE HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 362, 363, 364,
 &end
#
# 26 LEU QD1 30 ILE QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 362, 363, 364,
 igr2= 443, 444, 445,
 &end
#
# 26 LEU QD1 30 ILE QG1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 362, 363, 364,
 igr2= 440, 441,
 &end
#
# 26 LEU QD1 30 ILE QG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 362, 363, 364,
 igr2= 436, 437, 438,
 &end
#
# 26 LEU QD2 27 GLN HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 366, 367, 368,
 &end
#
# 26 LEU QD2 30 ILE QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 366, 367, 368,
 igr2= 443, 444, 445,
 &end
#
# 27 GLN HA 27 GLN HG2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 27 GLN HA 27 GLN HG3 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 380, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 27 GLN HA 30 ILE HB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 434, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 27 GLN HA 30 ILE HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 430, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 27 GLN HA 30 ILE QD1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 443, 444, 445,
 &end
#
# 27 GLN HA 30 ILE QG2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 436, 437, 438,
 &end
#
# 27 GLN HB2 28 ARG HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 389, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 27 GLN HB3 28 ARG HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 389, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 27 GLN HG2 28 ARG HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 389, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 27 GLN HG3 28 ARG HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 389, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 27 GLN HN 27 GLN HB2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 27 GLN HN 27 GLN HB3 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 27 GLN HN 27 GLN HG2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 379, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 27 GLN HN 27 GLN HG3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 380, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 27 GLN HN 27 GLN QB 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 376, 377,
 &end
#
# 27 GLN HN 27 GLN QG 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 379, 380,
 &end
#
# 27 GLN QB 27 GLN QE2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 376, 377,
 igr2= 384, 385,
 &end
#
# 27 GLN QB 28 ARG HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 376, 377,
 &end
#
# 27 GLN QG 28 ARG HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 379, 380,
 &end
#
# 28 ARG HA 28 ARG HG2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 28 ARG HA 28 ARG HG3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 397, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 28 ARG HA 28 ARG QD 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 399, 400,
 &end
#
# 28 ARG HA 28 ARG QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 396, 397,
 &end
#
# 28 ARG HA 31 TRP HB2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 453, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 28 ARG HA 31 TRP HB3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 454, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 28 ARG HA 31 TRP HE3 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 468, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 28 ARG HA 31 TRP HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 449, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 28 ARG HG2 29 HIS HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28 ARG HG3 29 HIS HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 413, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28 ARG HN 28 ARG QB 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 393, 394,
 &end
#
# 28 ARG HN 28 ARG QD 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 399, 400,
 &end
#
# 28 ARG HN 28 ARG QG 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 396, 397,
 &end
#
# 28 ARG HN 29 HIS HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 413, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 28 ARG HN 29 HIS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 417, 418,
 &end
#
# 28 ARG HN 31 TRP HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ARG QB 28 ARG QD 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 393, 394,
 igr2= 399, 400,
 &end
#
# 28 ARG QB 29 HIS HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 393, 394,
 &end
#
# 28 ARG QB 31 TRP HB2 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 393, 394,
 &end
#
# 28 ARG QB 31 TRP HE3 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 393, 394,
 &end
#
# 28 ARG QB 32 ALA HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 393, 394,
 &end
#
# 28 ARG QB 32 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 393, 394,
 igr2= 477, 478, 479,
 &end
#
# 28 ARG QG 29 HIS HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 396, 397,
 &end
#
# 29 HIS HA 30 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 HIS HA 32 ALA QB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 477, 478, 479,
 &end
#
# 29 HIS HB2 30 ILE HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 430, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 HIS HB3 30 ILE HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 HIS HD2 30 ILE HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 29 HIS HD2 30 ILE QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 443, 444, 445,
 &end
#
# 29 HIS HN 29 HIS HB2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 29 HIS HN 29 HIS HB3 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 29 HIS HN 30 ILE HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 430, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 29 HIS HN 32 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 477, 478, 479,
 &end
#
# 29 HIS QB 30 ILE HN 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 417, 418,
 &end
#
# 30 ILE HA 30 ILE HG12 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 440, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 30 ILE HA 30 ILE HG13 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 441, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 30 ILE HA 30 ILE QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 443, 444, 445,
 &end
#
# 30 ILE HA 30 ILE QG2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 436, 437, 438,
 &end
#
# 30 ILE HA 32 ALA HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 473, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 30 ILE HA 32 ALA QB 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 477, 478, 479,
 &end
#
# 30 ILE HA 33 HIS HB2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 30 ILE HA 33 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 ILE HA 33 HIS HD2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 496, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 30 ILE HA 33 HIS HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 483, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 30 ILE HB 30 ILE QD1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 443, 444, 445,
 &end
#
# 30 ILE HB 31 TRP HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 30 ILE HN 30 ILE HB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 30 ILE HN 30 ILE HG12 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 440, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 30 ILE HN 30 ILE HG13 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 441, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 30 ILE HN 30 ILE QD1 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 443, 444, 445,
 &end
#
# 30 ILE HN 30 ILE QG1 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 440, 441,
 &end
#
# 30 ILE HN 30 ILE QG2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 436, 437, 438,
 &end
#
# 30 ILE HN 31 TRP HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 30 ILE QD1 31 TRP HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 443, 444, 445,
 &end
#
# 30 ILE QD1 33 HIS HD2 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 443, 444, 445,
 &end
#
# 30 ILE QG1 33 HIS HD2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 440, 441,
 &end
#
# 30 ILE QG2 30 ILE HG12 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 30 ILE HG13 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 30 ILE QD1 2.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 436, 437, 438,
 igr2= 443, 444, 445,
 &end
#
# 30 ILE QG2 30 ILE QG1 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 436, 437, 438,
 igr2= 440, 441,
 &end
#
# 30 ILE QG2 31 TRP HA 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 31 TRP HB2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 31 TRP HD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 31 TRP HE1 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 31 TRP HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 32 ALA HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 33 HIS HB2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 33 HIS HD2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 33 HIS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 34 GLU HG2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 34 GLU HG3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 436, 437, 438,
 &end
#
# 30 ILE QG2 34 GLU QG 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 436, 437, 438,
 igr2= 507, 508,
 &end
#
# 31 TRP HA 31 TRP HD1 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 457, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 31 TRP HA 31 TRP HE1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 459, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 31 TRP HA 31 TRP HE3 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 468, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 31 TRP HA 32 ALA QB 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 477, 478, 479,
 &end
#
# 31 TRP HA 33 HIS HN 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 483, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 31 TRP HA 34 GLU HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 500, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 31 TRP HA 34 GLU QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 504, 505,
 &end
#
# 31 TRP HA 36 VAL QQG 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 31 TRP HB2 31 TRP HE3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 31 TRP HB2 32 ALA HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 473, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 31 TRP HB2 36 VAL HB 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 526, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 31 TRP HB3 31 TRP HE3 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 468, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 31 TRP HB3 32 ALA HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 473, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 31 TRP HB3 32 ALA QB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 477, 478, 479,
 &end
#
# 31 TRP HB3 36 VAL HB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 526, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 31 TRP HB3 36 VAL QG1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 528, 529, 530,
 &end
#
# 31 TRP HB3 36 VAL QG2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 532, 533, 534,
 &end
#
# 31 TRP HB3 36 VAL QQG 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 31 TRP HD1 36 VAL HB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 526, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 31 TRP HD1 36 VAL QQG 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 31 TRP HE1 36 VAL QQG 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 31 TRP HN 31 TRP HB2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 31 TRP HN 31 TRP HB3 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 31 TRP HN 31 TRP HD1 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 31 TRP HN 32 ALA HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 473, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 31 TRP HN 32 ALA QB 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 477, 478, 479,
 &end
#
# 32 ALA HA 35 GLY HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 515, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 32 ALA HA 36 VAL HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 522, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 32 ALA HA 36 VAL QQG 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 32 ALA HN 32 ALA QB 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 477, 478, 479,
 &end
#
# 32 ALA HN 33 HIS HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 483, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 32 ALA HN 36 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ALA QB 33 HIS HA 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 477, 478, 479,
 &end
#
# 32 ALA QB 33 HIS HB2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 477, 478, 479,
 &end
#
# 32 ALA QB 33 HIS HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 477, 478, 479,
 &end
#
# 32 ALA QB 36 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 477, 478, 479,
 &end
#
# 32 ALA QB 36 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 477, 478, 479,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 33 HIS HA 33 HIS HD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 496, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 33 HIS HB2 34 GLU HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 500, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 33 HIS HB3 34 GLU HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 HIS HN 33 HIS HB2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 33 HIS HN 33 HIS HB3 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 33 HIS HN 33 HIS HD2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 33 HIS HN 34 GLU HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 500, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 34 GLU HA 34 GLU HG2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 34 GLU HA 34 GLU HG3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 34 GLU HA 34 GLU QG 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 507, 508,
 &end
#
# 34 GLU HN 34 GLU HG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 34 GLU HN 34 GLU HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 508, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 34 GLU HN 34 GLU QB 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 504, 505,
 &end
#
# 34 GLU HN 34 GLU QG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 507, 508,
 &end
#
# 34 GLU HN 35 GLY HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 34 GLU HN 36 VAL QQG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 34 GLU QB 35 GLY HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 504, 505,
 &end
#
# 34 GLU QB 35 GLY QA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 504, 505,
 igr2= 517, 518,
 &end
#
# 34 GLU QB 36 VAL HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 504, 505,
 &end
#
# 34 GLU QB 36 VAL QQG 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 504, 505,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 35 GLY HN 36 VAL HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 522, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 35 GLY QA 36 VAL HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 517, 518,
 &end
#
# 35 GLY QA 36 VAL QQG 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 517, 518,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 36 VAL HA 36 VAL QG1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 528, 529, 530,
 &end
#
# 36 VAL HA 36 VAL QG2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 532, 533, 534,
 &end
#
# 36 VAL HA 37 LYS HN 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 538, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 36 VAL HB 37 LYS HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 538, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 36 VAL HN 36 VAL HB 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 36 VAL HN 36 VAL QG1 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 528, 529, 530,
 &end
#
# 36 VAL HN 36 VAL QG2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 532, 533, 534,
 &end
#
# 36 VAL HN 36 VAL QQG 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 528, 529, 530, 532, 533, 534,
 &end
#
# 36 VAL QG1 37 LYS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 528, 529, 530,
 &end
#
# 36 VAL QG2 37 LYS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 532, 533, 534,
 &end
#
# 36 VAL QQG 37 LYS HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 528, 529, 530, 532, 533, 534,
 &end
#
# 36 VAL QQG 37 LYS HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 528, 529, 530, 532, 533, 534,
 &end
#
# 36 VAL QQG 37 LYS QG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 528, 529, 530, 532, 533, 534,
 igr2= 545, 546,
 &end
#
# 37 LYS HA 37 LYS QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 548, 549,
 &end
#
# 37 LYS HA 37 LYS QG 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 545, 546,
 &end
#
# 37 LYS HN 37 LYS HB2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 37 LYS HN 37 LYS HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 543, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 37 LYS HN 37 LYS QB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 542, 543,
 &end
#
# 37 LYS HN 37 LYS QG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 545, 546,
 &end
#
# 37 LYS QG 37 LYS QE 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 545, 546,
 igr2= 551, 552,
 &end
# 560 atoms read from pdb file leap.pdb.
# 11 LYS PHI:  (10 MET C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -133.0 -73.0
 &rst     iat =   117,   119,   121,   139,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  93.0 153.0
 &rst     iat =   119,   121,   139,   141,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end
# 12 CYS PHI:  (11 LYS C)-(12 CYM N)-(12 CYM CA)-(12 CYM C) -118.0 -58.0
 &rst     iat =   139,   141,   143,   149,
   r1 = -119.0, r2 = -118.0, r3 = -58.0, r4 = -57.0,
 &end
# 12 CYS PSI:  (12 CYM N)-(12 CYM CA)-(12 CYM C)-(13 PRO N)  87.0 147.0
 &rst     iat =   141,   143,   149,   151,
   r1 =  86.0, r2 =  87.0, r3 = 147.0, r4 = 148.0,
 &end
# 18 TYR PHI:  (17 PHE C)-(18 TYR N)-(18 TYR CA)-(18 TYR C) -128.0 -68.0
 &rst     iat =   226,   228,   230,   247,
   r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
 &end
# 18 TYR PSI:  (18 TYR N)-(18 TYR CA)-(18 TYR C)-(19 PHE N) 107.0 167.0
 &rst     iat =   228,   230,   247,   249,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end
# 19 PHE PHI:  (18 TYR C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -155.0 -95.0
 &rst     iat =   247,   249,   251,   267,
   r1 = -156.0, r2 = -155.0, r3 = -95.0, r4 = -94.0,
 &end
# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 MET N) 123.0 183.0
 &rst     iat =   249,   251,   267,   269,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 24 SER PHI:  (23 GLY C)-(24 SER N)-(24 SER CA)-(24 SER C) -92.0 -32.0
 &rst     iat =   327,   329,   331,   338,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 24 SER PSI:  (24 SER N)-(24 SER CA)-(24 SER C)-(25 ASP N) -64.0  -4.0
 &rst     iat =   329,   331,   338,   340,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 25 ASP PHI:  (24 SER C)-(25 ASP N)-(25 ASP CA)-(25 ASP C) -94.0 -34.0
 &rst     iat =   338,   340,   342,   350,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 25 ASP PSI:  (25 ASP N)-(25 ASP CA)-(25 ASP C)-(26 LEU N) -71.0 -11.0
 &rst     iat =   340,   342,   350,   352,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 26 LEU PHI:  (25 ASP C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -91.0 -31.0
 &rst     iat =   350,   352,   354,   369,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 GLN N) -75.0 -15.0
 &rst     iat =   352,   354,   369,   371,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 27 GLN PHI:  (26 LEU C)-(27 GLN N)-(27 GLN CA)-(27 GLN C) -89.0 -29.0
 &rst     iat =   369,   371,   373,   386,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 27 GLN PSI:  (27 GLN N)-(27 GLN CA)-(27 GLN C)-(28 ARG N) -73.0 -13.0
 &rst     iat =   371,   373,   386,   388,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 28 ARG PHI:  (27 GLN C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -96.0 -36.0
 &rst     iat =   386,   388,   390,   410,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 HID N) -64.0  -4.0
 &rst     iat =   388,   390,   410,   412,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 29 HIS PHI:  (28 ARG C)-(29 HID N)-(29 HID CA)-(29 HID C) -97.0 -37.0
 &rst     iat =   410,   412,   414,   427,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 29 HIS PSI:  (29 HID N)-(29 HID CA)-(29 HID C)-(30 ILE N) -71.0 -11.0
 &rst     iat =   412,   414,   427,   429,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 30 ILE PHI:  (29 HID C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -91.0 -31.0
 &rst     iat =   427,   429,   431,   446,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 TRP N) -75.0 -15.0
 &rst     iat =   429,   431,   446,   448,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 31 TRP PHI:  (30 ILE C)-(31 TRP N)-(31 TRP CA)-(31 TRP C) -92.0 -32.0
 &rst     iat =   446,   448,   450,   470,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 31 TRP PSI:  (31 TRP N)-(31 TRP CA)-(31 TRP C)-(32 ALA N) -69.0  -9.0
 &rst     iat =   448,   450,   470,   472,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 32 ALA PHI:  (31 TRP C)-(32 ALA N)-(32 ALA CA)-(32 ALA C) -91.0 -31.0
 &rst     iat =   470,   472,   474,   480,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 32 ALA PSI:  (32 ALA N)-(32 ALA CA)-(32 ALA C)-(33 HID N) -74.0 -14.0
 &rst     iat =   472,   474,   480,   482,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 33 HIS PHI:  (32 ALA C)-(33 HID N)-(33 HID CA)-(33 HID C) -95.0 -35.0
 &rst     iat =   480,   482,   484,   497,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 33 HIS PSI:  (33 HID N)-(33 HID CA)-(33 HID C)-(34 GLU N) -65.0  -5.0
 &rst     iat =   482,   484,   497,   499,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 193, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   29 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 424, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 494, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 560, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 560, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  15 CYM  SG   29 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 424, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 494, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 560, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 560, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  29 HID NE2   33 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 494, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  29 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 560, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  33 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 560, 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  -8.167 -16.287   2.968
    2    H2   GLY   1           2H       GLY   1  -8.496 -14.679   3.075
    3    H3   GLY   1           3H       GLY   1  -9.307 -15.746   4.015
    4    HA2  GLY   1           1HA      GLY   1  -7.333 -16.313   5.243
    5    HA3  GLY   1           2HA      GLY   1  -6.410 -15.225   4.189
    6    H    SER   2           H        SER   2  -6.043 -14.634   6.709
    7    HA   SER   2           HA       SER   2  -7.981 -13.092   8.077
    8    HB2  SER   2           1HB      SER   2  -4.955 -12.862   8.263
    9    HB3  SER   2           2HB      SER   2  -6.129 -12.379   9.498
   10    HG   SER   2           HG       SER   2  -6.724 -14.555   9.738
   11    H    SER   3           H        SER   3  -5.893 -12.088   5.447
   12    HA   SER   3           HA       SER   3  -6.232  -9.212   5.860
   13    HB2  SER   3           1HB      SER   3  -5.072  -9.093   3.655
   14    HB3  SER   3           2HB      SER   3  -4.192 -10.025   4.879
   15    HG   SER   3           HG       SER   3  -4.251 -11.114   2.857
   16    H    GLY   4           H        GLY   4  -8.198 -11.671   4.459
   17    HA2  GLY   4           1HA      GLY   4 -10.441 -10.225   3.907
   18    HA3  GLY   4           2HA      GLY   4  -9.517 -10.043   2.413
   19    H    SER   5           H        SER   5 -12.084 -11.475   3.017
   20    HA   SER   5           HA       SER   5 -11.836 -14.233   3.221
   21    HB2  SER   5           1HB      SER   5 -13.989 -12.714   1.701
   22    HB3  SER   5           2HB      SER   5 -14.127 -14.342   2.396
   23    HG   SER   5           HG       SER   5 -15.019 -12.730   3.775
   24    H    SER   6           H        SER   6 -11.562 -12.318   0.257
   25    HA   SER   6           HA       SER   6 -11.193 -14.771  -1.399
   26    HB2  SER   6           1HB      SER   6 -11.610 -13.251  -3.306
   27    HB3  SER   6           2HB      SER   6 -12.957 -13.326  -2.161
   28    HG   SER   6           HG       SER   6 -12.460 -11.164  -2.782
   29    H    GLY   7           H        GLY   7  -9.205 -12.712   0.286
   30    HA2  GLY   7           1HA      GLY   7  -6.976 -12.127   0.142
   31    HA3  GLY   7           2HA      GLY   7  -6.801 -13.415  -1.047
   32    H    ARG   8           H        ARG   8  -5.584 -12.495  -2.574
   33    HA   ARG   8           HA       ARG   8  -4.832 -11.164  -4.253
   34    HB2  ARG   8           1HB      ARG   8  -6.951 -12.410  -5.017
   35    HB3  ARG   8           2HB      ARG   8  -7.773 -10.863  -4.932
   36    HG2  ARG   8           1HG      ARG   8  -7.148 -11.304  -7.204
   37    HG3  ARG   8           2HG      ARG   8  -6.148  -9.963  -6.648
   38    HD2  ARG   8           1HD      ARG   8  -4.242 -11.501  -6.313
   39    HD3  ARG   8           2HD      ARG   8  -5.267 -12.878  -6.775
   40    HE   ARG   8           HE       ARG   8  -5.323 -10.937  -8.866
   41   HH11  ARG   8          2HH1      ARG   8  -3.045 -13.234  -7.515
   42   HH12  ARG   8          1HH1      ARG   8  -2.178 -13.395  -9.018
   43   HH21  ARG   8          2HH2      ARG   8  -4.173 -11.191 -10.750
   44   HH22  ARG   8          1HH2      ARG   8  -2.805 -12.265 -10.797
   45    H    ALA   9           H        ALA   9  -4.710  -9.656  -2.049
   46    HA   ALA   9           HA       ALA   9  -5.686  -6.949  -2.468
   47    HB1  ALA   9           1HB      ALA   9  -4.057  -6.406  -0.687
   48    HB2  ALA   9           2HB      ALA   9  -5.094  -7.774  -0.238
   49    HB3  ALA   9           3HB      ALA   9  -3.414  -8.055  -0.766
   50    H    MET  10           H        MET  10  -4.119  -5.094  -2.690
   51    HA   MET  10           HA       MET  10  -2.376  -5.445  -5.042
   52    HB2  MET  10           1HB      MET  10  -2.540  -3.203  -5.342
   53    HB3  MET  10           2HB      MET  10  -4.016  -3.466  -4.423
   54    HG2  MET  10           1HG      MET  10  -3.154  -1.588  -3.425
   55    HG3  MET  10           2HG      MET  10  -2.598  -2.845  -2.336
   56    HE1  MET  10           3HE      MET  10   0.070  -3.147  -1.701
   57    HE2  MET  10           1HE      MET  10   0.797  -1.534  -1.750
   58    HE3  MET  10           2HE      MET  10  -0.847  -1.746  -1.141
   59    H    LYS  11           H        LYS  11  -0.089  -4.911  -4.998
   60    HA   LYS  11           HA       LYS  11   1.190  -5.118  -2.301
   61    HB2  LYS  11           1HB      LYS  11   1.393  -7.148  -3.799
   62    HB3  LYS  11           2HB      LYS  11   2.413  -6.169  -4.870
   63    HG2  LYS  11           1HG      LYS  11   4.005  -5.775  -3.019
   64    HG3  LYS  11           2HG      LYS  11   2.908  -6.592  -1.888
   65    HD2  LYS  11           1HD      LYS  11   3.163  -8.691  -3.269
   66    HD3  LYS  11           2HD      LYS  11   4.430  -7.869  -4.204
   67    HE2  LYS  11           1HE      LYS  11   5.810  -7.573  -2.264
   68    HE3  LYS  11           2HE      LYS  11   4.473  -7.954  -1.169
   69    HZ1  LYS  11           3HZ      LYS  11   5.779  -9.933  -2.942
   70    HZ2  LYS  11           1HZ      LYS  11   4.535 -10.230  -1.900
   71    HZ3  LYS  11           2HZ      LYS  11   5.997  -9.778  -1.316
   72    H    CYS  12           H        CYS  12   2.739  -3.758  -1.743
   73    HA   CYS  12           HA       CYS  12   2.758  -1.168  -2.706
   74    HB2  CYS  12           1HB      CYS  12   3.322  -1.843  -0.459
   75    HB3  CYS  12           2HB      CYS  12   4.724  -2.756  -1.026
   76    HA   PRO  13           HA       PRO  13   5.609  -1.283  -6.108
   77    HB2  PRO  13           1HB      PRO  13   5.989   1.428  -6.524
   78    HB3  PRO  13           2HB      PRO  13   4.574   0.474  -7.047
   79    HG2  PRO  13           1HG      PRO  13   4.826   2.301  -4.680
   80    HG3  PRO  13           2HG      PRO  13   3.405   1.992  -5.718
   81    HD2  PRO  13           1HD      PRO  13   3.767   0.898  -3.227
   82    HD3  PRO  13           2HD      PRO  13   2.756   0.179  -4.512
   83    H    TYR  14           H        TYR  14   6.532  -0.465  -2.975
   84    HA   TYR  14           HA       TYR  14   9.433  -0.258  -3.741
   85    HB2  TYR  14           1HB      TYR  14   7.943   1.061  -1.470
   86    HB3  TYR  14           2HB      TYR  14   9.689   1.065  -1.634
   87    HD1  TYR  14           1HD      TYR  14   6.525   2.229  -3.197
   88    HD2  TYR  14           2HD      TYR  14  10.808   2.656  -3.028
   89    HE1  TYR  14           1HE      TYR  14   6.394   4.244  -4.691
   90    HE2  TYR  14           2HE      TYR  14  10.661   4.720  -4.420
   91    HH   TYR  14           HH       TYR  14   9.289   6.133  -5.575
   92    H    CYS  15           H        CYS  15   7.103  -1.853  -1.570
   93    HA   CYS  15           HA       CYS  15   9.306  -3.568  -0.558
   94    HB2  CYS  15           1HB      CYS  15   8.866  -3.210   1.705
   95    HB3  CYS  15           2HB      CYS  15   8.984  -1.617   0.985
   96    H    ASP  16           H        ASP  16   8.035  -5.030   1.290
   97    HA   ASP  16           HA       ASP  16   6.638  -6.927  -0.430
   98    HB2  ASP  16           1HB      ASP  16   8.554  -7.478   1.100
   99    HB3  ASP  16           2HB      ASP  16   7.482  -7.196   2.471
  100    H    PHE  17           H        PHE  17   5.444  -4.403   1.413
  101    HA   PHE  17           HA       PHE  17   3.331  -5.813   2.817
  102    HB2  PHE  17           1HB      PHE  17   4.662  -3.728   3.524
  103    HB3  PHE  17           2HB      PHE  17   3.570  -2.822   2.485
  104    HD1  PHE  17           1HD      PHE  17   3.855  -4.936   5.534
  105    HD2  PHE  17           2HD      PHE  17   1.258  -2.427   3.187
  106    HE1  PHE  17           1HE      PHE  17   2.235  -4.849   7.417
  107    HE2  PHE  17           2HE      PHE  17  -0.358  -2.331   5.067
  108    HZ   PHE  17           HZ       PHE  17   0.128  -3.543   7.189
  109    H    TYR  18           H        TYR  18   1.068  -5.458   2.676
  110    HA   TYR  18           HA       TYR  18   0.046  -4.896  -0.068
  111    HB2  TYR  18           1HB      TYR  18  -0.937  -6.890   1.998
  112    HB3  TYR  18           2HB      TYR  18  -1.709  -6.569   0.457
  113    HD1  TYR  18           1HD      TYR  18   1.385  -7.930   2.039
  114    HD2  TYR  18           2HD      TYR  18  -0.957  -7.608  -1.568
  115    HE1  TYR  18           1HE      TYR  18   2.814  -9.630   0.961
  116    HE2  TYR  18           2HE      TYR  18   0.459  -9.322  -2.647
  117    HH   TYR  18           HH       TYR  18   2.155 -10.857  -2.357
  118    H    PHE  19           H        PHE  19  -1.981  -3.990  -0.372
  119    HA   PHE  19           HA       PHE  19  -3.615  -3.118   1.937
  120    HB2  PHE  19           1HB      PHE  19  -2.582  -1.163  -0.160
  121    HB3  PHE  19           2HB      PHE  19  -3.978  -0.854   0.813
  122    HD1  PHE  19           1HD      PHE  19  -0.282  -1.193   0.967
  123    HD2  PHE  19           2HD      PHE  19  -3.889  -0.197   3.112
  124    HE1  PHE  19           1HE      PHE  19   1.061  -0.071   2.712
  125    HE2  PHE  19           2HE      PHE  19  -2.530   0.894   4.879
  126    HZ   PHE  19           HZ       PHE  19  -0.053   0.982   4.670
  127    H    MET  20           H        MET  20  -5.765  -2.275   1.229
  128    HA   MET  20           HA       MET  20  -7.008  -3.851  -0.865
  129    HB2  MET  20           1HB      MET  20  -8.126  -3.078   1.217
  130    HB3  MET  20           2HB      MET  20  -8.048  -1.411   0.649
  131    HG2  MET  20           1HG      MET  20  -9.428  -3.620  -0.924
  132    HG3  MET  20           2HG      MET  20 -10.234  -2.745   0.371
  133    HE1  MET  20           3HE      MET  20 -12.201  -2.212  -1.350
  134    HE2  MET  20           1HE      MET  20 -11.939  -1.387  -2.903
  135    HE3  MET  20           2HE      MET  20 -11.295  -3.025  -2.648
  136    H    LYS  21           H        LYS  21  -7.583  -3.218  -2.934
  137    HA   LYS  21           HA       LYS  21  -5.704  -1.753  -4.356
  138    HB2  LYS  21           1HB      LYS  21  -7.079  -2.164  -6.311
  139    HB3  LYS  21           2HB      LYS  21  -7.058  -3.579  -5.263
  140    HG2  LYS  21           1HG      LYS  21  -9.313  -2.959  -4.381
  141    HG3  LYS  21           2HG      LYS  21  -9.329  -1.537  -5.440
  142    HD2  LYS  21           1HD      LYS  21  -9.177  -3.013  -7.427
  143    HD3  LYS  21           2HD      LYS  21  -9.166  -4.439  -6.366
  144    HE2  LYS  21           1HE      LYS  21 -11.390  -3.786  -5.468
  145    HE3  LYS  21           2HE      LYS  21 -11.400  -2.361  -6.514
  146    HZ1  LYS  21           3HZ      LYS  21 -11.350  -5.176  -7.474
  147    HZ2  LYS  21           1HZ      LYS  21 -11.360  -3.857  -8.440
  148    HZ3  LYS  21           2HZ      LYS  21 -12.651  -4.192  -7.503
  149    H    ASN  22           H        ASN  22  -8.468  -0.325  -2.886
  150    HA   ASN  22           HA       ASN  22  -7.859   2.278  -4.214
  151    HB2  ASN  22           1HB      ASN  22 -10.019   1.107  -4.946
  152    HB3  ASN  22           2HB      ASN  22 -10.609   1.353  -3.303
  153   HD21  ASN  22          1HD2      ASN  22 -12.344   2.680  -4.132
  154   HD22  ASN  22          2HD2      ASN  22 -12.016   4.300  -4.731
  155    H    GLY  23           H        GLY  23  -7.010   0.963  -1.521
  156    HA2  GLY  23           1HA      GLY  23  -8.239   2.518   0.588
  157    HA3  GLY  23           2HA      GLY  23  -6.759   1.568   0.699
  158    H    SER  24           H        SER  24  -7.711   4.492   1.405
  159    HA   SER  24           HA       SER  24  -5.934   6.266  -0.021
  160    HB2  SER  24           1HB      SER  24  -8.055   6.902   1.156
  161    HB3  SER  24           2HB      SER  24  -7.224   6.662   2.705
  162    HG   SER  24           HG       SER  24  -7.193   8.860   1.975
  163    H    ASP  25           H        ASP  25  -5.532   4.364   2.945
  164    HA   ASP  25           HA       ASP  25  -3.214   5.620   3.995
  165    HB2  ASP  25           1HB      ASP  25  -4.150   2.729   4.157
  166    HB3  ASP  25           2HB      ASP  25  -2.871   3.426   5.148
  167    H    LEU  26           H        LEU  26  -3.486   3.421   1.262
  168    HA   LEU  26           HA       LEU  26  -0.765   2.591   1.041
  169    HB2  LEU  26           1HB      LEU  26  -2.584   1.573  -0.240
  170    HB3  LEU  26           2HB      LEU  26  -2.917   3.109  -1.048
  171    HG   LEU  26           HG       LEU  26  -0.755   3.042  -2.202
  172   HD11  LEU  26          1HD1      LEU  26  -0.380   0.418  -0.722
  173   HD12  LEU  26          2HD1      LEU  26   0.662   1.842  -0.621
  174   HD13  LEU  26          3HD1      LEU  26   0.597   0.915  -2.121
  175   HD21  LEU  26          3HD2      LEU  26  -1.211   1.136  -3.666
  176   HD22  LEU  26          1HD2      LEU  26  -2.698   2.009  -3.255
  177   HD23  LEU  26          2HD2      LEU  26  -2.334   0.464  -2.456
  178    H    GLN  27           H        GLN  27  -2.406   5.620   0.039
  179    HA   GLN  27           HA       GLN  27  -0.225   6.597  -1.577
  180    HB2  GLN  27           1HB      GLN  27  -2.399   8.169  -0.126
  181    HB3  GLN  27           2HB      GLN  27  -1.343   8.775  -1.401
  182    HG2  GLN  27           1HG      GLN  27  -3.448   6.587  -1.700
  183    HG3  GLN  27           2HG      GLN  27  -3.555   8.240  -2.290
  184   HE21  GLN  27          1HE2      GLN  27  -1.826   8.915  -3.957
  185   HE22  GLN  27          2HE2      GLN  27  -1.300   7.657  -5.065
  186    H    ARG  28           H        ARG  28  -1.088   7.098   1.861
  187    HA   ARG  28           HA       ARG  28   1.222   8.694   2.517
  188    HB2  ARG  28           1HB      ARG  28  -0.828   8.640   3.891
  189    HB3  ARG  28           2HB      ARG  28  -0.560   6.939   4.261
  190    HG2  ARG  28           1HG      ARG  28   0.084   8.352   6.138
  191    HG3  ARG  28           2HG      ARG  28   1.487   7.490   5.509
  192    HD2  ARG  28           1HD      ARG  28   2.200   9.543   4.295
  193    HD3  ARG  28           2HD      ARG  28   0.774  10.399   4.924
  194    HE   ARG  28           HE       ARG  28   2.179   9.321   7.135
  195   HH11  ARG  28          2HH1      ARG  28   2.747  11.818   4.727
  196   HH12  ARG  28          1HH1      ARG  28   3.869  12.676   5.770
  197   HH21  ARG  28          2HH2      ARG  28   3.635  10.473   8.374
  198   HH22  ARG  28          1HH2      ARG  28   4.395  11.905   7.710
  199    H    HIS  29           H        HIS  29   0.680   5.156   2.670
  200    HA   HIS  29           HA       HIS  29   3.220   4.467   3.751
  201    HB2  HIS  29           1HB      HIS  29   1.314   2.941   3.633
  202    HB3  HIS  29           2HB      HIS  29   1.369   2.951   1.872
  203    HD1  HIS  29           1HD      HIS  29   3.194   1.427   4.865
  204    HD2  HIS  29           2HD      HIS  29   3.262   1.499   0.661
  205    HE1  HIS  29           1HE      HIS  29   4.747  -0.457   4.168
  206    H    ILE  30           H        ILE  30   2.281   5.026   0.327
  207    HA   ILE  30           HA       ILE  30   4.921   4.394  -0.711
  208    HB   ILE  30           HB       ILE  30   2.483   5.798  -1.854
  209   HG12  ILE  30          1HG1      ILE  30   3.809   3.147  -2.604
  210   HG13  ILE  30          2HG1      ILE  30   2.505   3.265  -1.427
  211   HG21  ILE  30          1HG2      ILE  30   3.708   5.655  -4.078
  212   HG22  ILE  30          2HG2      ILE  30   4.381   6.828  -2.949
  213   HG23  ILE  30          3HG2      ILE  30   5.168   5.245  -3.153
  214   HD11  ILE  30          3HD1      ILE  30   1.511   2.671  -3.522
  215   HD12  ILE  30          1HD1      ILE  30   1.072   4.366  -3.160
  216   HD13  ILE  30          2HD1      ILE  30   2.323   3.988  -4.371
  217    H    TRP  31           H        TRP  31   3.251   7.517  -0.114
  218    HA   TRP  31           HA       TRP  31   5.425   9.220  -0.675
  219    HB2  TRP  31           1HB      TRP  31   3.142   9.433   1.289
  220    HB3  TRP  31           2HB      TRP  31   4.296  10.735   1.060
  221    HD1  TRP  31           1HD      TRP  31   4.561  10.518  -2.124
  222    HE1  TRP  31           1HE      TRP  31   2.681  11.328  -3.622
  223    HE3  TRP  31           3HE      TRP  31   0.751  10.568   1.315
  224    HZ2  TRP  31           2HZ      TRP  31  -0.137  11.961  -3.385
  225    HZ3  TRP  31           3HZ      TRP  31  -1.520  11.316   0.647
  226    HH2  TRP  31           2HH      TRP  31  -1.979  12.007  -1.695
  227    H    ALA  32           H        ALA  32   4.976   7.182   2.158
  228    HA   ALA  32           HA       ALA  32   7.103   8.339   3.745
  229    HB1  ALA  32           1HB      ALA  32   5.857   5.563   3.832
  230    HB2  ALA  32           2HB      ALA  32   6.854   6.307   5.097
  231    HB3  ALA  32           3HB      ALA  32   5.267   6.998   4.702
  232    H    HIS  33           H        HIS  33   7.049   5.649   1.338
  233    HA   HIS  33           HA       HIS  33   9.867   4.997   1.617
  234    HB2  HIS  33           1HB      HIS  33   7.908   4.547  -0.670
  235    HB3  HIS  33           2HB      HIS  33   9.552   3.931  -0.614
  236    HD1  HIS  33           1HD      HIS  33   9.985   2.354   1.814
  237    HD2  HIS  33           2HD      HIS  33   6.216   2.722   0.001
  238    HE1  HIS  33           1HE      HIS  33   8.672   0.308   2.537
  239    H    GLU  34           H        GLU  34   8.047   7.287  -0.417
  240    HA   GLU  34           HA       GLU  34  10.376   8.374  -1.772
  241    HB2  GLU  34           1HB      GLU  34   7.524   9.325  -1.375
  242    HB3  GLU  34           2HB      GLU  34   8.698  10.270  -2.277
  243    HG2  GLU  34           1HG      GLU  34   8.069   7.381  -3.002
  244    HG3  GLU  34           2HG      GLU  34   7.147   8.743  -3.618
  245    H    GLY  35           H        GLY  35   9.700   8.552   1.481
  246    HA2  GLY  35           1HA      GLY  35  10.892   9.634   3.108
  247    HA3  GLY  35           2HA      GLY  35  11.748  10.554   1.872
  248    H    VAL  36           H        VAL  36   8.269  10.819   1.808
  249    HA   VAL  36           HA       VAL  36   8.345  13.655   2.488
  250    HB   VAL  36           HB       VAL  36   5.942  11.843   2.077
  251   HG11  VAL  36          1HG1      VAL  36   4.760  13.952   1.519
  252   HG12  VAL  36          2HG1      VAL  36   5.314  13.939   3.191
  253   HG13  VAL  36          3HG1      VAL  36   6.207  14.879   1.971
  254   HG21  VAL  36          3HG2      VAL  36   7.406  13.633   0.083
  255   HG22  VAL  36          1HG2      VAL  36   7.349  11.858   0.041
  256   HG23  VAL  36          2HG2      VAL  36   5.872  12.785  -0.219
  257    H    LYS  37           H        LYS  37   7.806  14.638   4.362
  258    HA   LYS  37           HA       LYS  37   7.960  13.164   6.840
  259    HB2  LYS  37           1HB      LYS  37   7.345  16.093   6.272
  260    HB3  LYS  37           2HB      LYS  37   7.590  15.406   7.882
  261    HG2  LYS  37           1HG      LYS  37   9.875  14.656   7.220
  262    HG3  LYS  37           2HG      LYS  37   9.658  15.425   5.636
  263    HD2  LYS  37           1HD      LYS  37   9.358  17.627   6.740
  264    HD3  LYS  37           2HD      LYS  37   9.569  16.857   8.329
  265    HE2  LYS  37           1HE      LYS  37  11.838  16.095   7.651
  266    HE3  LYS  37           2HE      LYS  37  11.632  16.874   6.077
  267    HZ1  LYS  37           3HZ      LYS  37  11.644  18.293   8.691
  268    HZ2  LYS  37           1HZ      LYS  37  11.452  19.013   7.236
  269    HZ3  LYS  37           2HZ      LYS  37  12.866  18.293   7.611
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1   3.142 -14.952 -12.899
    2    H2   GLY   1           2H       GLY   1   4.328 -14.312 -11.969
    3    H3   GLY   1           3H       GLY   1   3.247 -13.326 -12.712
    4    HA2  GLY   1           1HA      GLY   1   2.731 -13.499 -10.369
    5    HA3  GLY   1           2HA      GLY   1   1.441 -14.172 -11.381
    6    H    SER   2           H        SER   2   2.210 -14.770  -8.578
    7    HA   SER   2           HA       SER   2   2.574 -17.732  -8.764
    8    HB2  SER   2           1HB      SER   2   3.986 -15.886  -6.799
    9    HB3  SER   2           2HB      SER   2   4.038 -17.658  -6.788
   10    HG   SER   2           HG       SER   2   5.864 -16.730  -7.840
   11    H    SER   3           H        SER   3   1.616 -18.942  -7.103
   12    HA   SER   3           HA       SER   3  -0.827 -17.908  -6.024
   13    HB2  SER   3           1HB      SER   3   0.638 -20.486  -5.349
   14    HB3  SER   3           2HB      SER   3  -1.060 -20.118  -4.995
   15    HG   SER   3           HG       SER   3  -0.808 -21.348  -6.931
   16    H    GLY   4           H        GLY   4  -1.481 -17.437  -3.941
   17    HA2  GLY   4           1HA      GLY   4  -0.330 -17.921  -1.491
   18    HA3  GLY   4           2HA      GLY   4   0.522 -16.480  -2.051
   19    H    SER   5           H        SER   5  -0.535 -15.762   0.038
   20    HA   SER   5           HA       SER   5  -3.326 -15.176   0.183
   21    HB2  SER   5           1HB      SER   5  -1.028 -13.842   1.659
   22    HB3  SER   5           2HB      SER   5  -2.736 -13.849   2.137
   23    HG   SER   5           HG       SER   5  -1.523 -15.454   3.247
   24    H    SER   6           H        SER   6  -1.152 -13.743  -1.893
   25    HA   SER   6           HA       SER   6  -1.989 -10.970  -1.824
   26    HB2  SER   6           1HB      SER   6  -0.662 -10.864  -3.925
   27    HB3  SER   6           2HB      SER   6   0.220 -11.605  -2.574
   28    HG   SER   6           HG       SER   6   0.433 -12.804  -4.538
   29    H    GLY   7           H        GLY   7  -3.646 -13.720  -2.931
   30    HA2  GLY   7           1HA      GLY   7  -4.757 -13.032  -5.394
   31    HA3  GLY   7           2HA      GLY   7  -5.586 -13.981  -4.162
   32    H    ARG   8           H        ARG   8  -6.013 -11.481  -6.100
   33    HA   ARG   8           HA       ARG   8  -7.199  -9.576  -6.281
   34    HB2  ARG   8           1HB      ARG   8  -8.966 -10.826  -4.151
   35    HB3  ARG   8           2HB      ARG   8  -9.405  -9.471  -5.196
   36    HG2  ARG   8           1HG      ARG   8  -9.045 -10.911  -7.206
   37    HG3  ARG   8           2HG      ARG   8  -8.756 -12.296  -6.131
   38    HD2  ARG   8           1HD      ARG   8 -11.012 -12.027  -5.163
   39    HD3  ARG   8           2HD      ARG   8 -11.296 -10.618  -6.206
   40    HE   ARG   8           HE       ARG   8 -10.554 -12.876  -7.813
   41   HH11  ARG   8          2HH1      ARG   8 -13.324 -11.730  -5.998
   42   HH12  ARG   8          1HH1      ARG   8 -14.456 -12.594  -7.003
   43   HH21  ARG   8          2HH2      ARG   8 -12.051 -13.953  -9.053
   44   HH22  ARG   8          1HH2      ARG   8 -13.745 -13.822  -8.685
   45    H    ALA   9           H        ALA   9  -5.018  -9.567  -4.180
   46    HA   ALA   9           HA       ALA   9  -5.744  -6.954  -2.913
   47    HB1  ALA   9           1HB      ALA   9  -3.838  -7.299  -1.471
   48    HB2  ALA   9           2HB      ALA   9  -4.892  -8.731  -1.384
   49    HB3  ALA   9           3HB      ALA   9  -3.378  -8.774  -2.335
   50    H    MET  10           H        MET  10  -3.712  -5.524  -2.748
   51    HA   MET  10           HA       MET  10  -2.226  -5.418  -5.341
   52    HB2  MET  10           1HB      MET  10  -2.436  -3.159  -5.411
   53    HB3  MET  10           2HB      MET  10  -3.936  -3.567  -4.581
   54    HG2  MET  10           1HG      MET  10  -3.170  -1.794  -3.328
   55    HG3  MET  10           2HG      MET  10  -2.590  -3.160  -2.387
   56    HE1  MET  10           3HE      MET  10   0.028  -3.359  -1.664
   57    HE2  MET  10           1HE      MET  10   0.798  -1.764  -1.647
   58    HE3  MET  10           2HE      MET  10  -0.849  -1.944  -1.046
   59    H    LYS  11           H        LYS  11   0.026  -4.880  -5.215
   60    HA   LYS  11           HA       LYS  11   1.300  -5.266  -2.533
   61    HB2  LYS  11           1HB      LYS  11   1.623  -7.145  -4.221
   62    HB3  LYS  11           2HB      LYS  11   2.584  -6.012  -5.181
   63    HG2  LYS  11           1HG      LYS  11   4.119  -5.675  -3.252
   64    HG3  LYS  11           2HG      LYS  11   3.098  -6.725  -2.255
   65    HD2  LYS  11           1HD      LYS  11   3.587  -8.613  -3.866
   66    HD3  LYS  11           2HD      LYS  11   4.742  -7.542  -4.692
   67    HE2  LYS  11           1HE      LYS  11   6.010  -7.242  -2.619
   68    HE3  LYS  11           2HE      LYS  11   4.787  -8.136  -1.702
   69    HZ1  LYS  11           3HZ      LYS  11   5.366 -10.120  -2.967
   70    HZ2  LYS  11           1HZ      LYS  11   6.657  -9.527  -2.146
   71    HZ3  LYS  11           2HZ      LYS  11   6.548  -9.314  -3.776
   72    H    CYS  12           H        CYS  12   2.790  -3.848  -1.864
   73    HA   CYS  12           HA       CYS  12   2.714  -1.210  -2.773
   74    HB2  CYS  12           1HB      CYS  12   3.208  -1.925  -0.513
   75    HB3  CYS  12           2HB      CYS  12   4.693  -2.718  -1.042
   76    HA   PRO  13           HA       PRO  13   5.692  -1.234  -6.086
   77    HB2  PRO  13           1HB      PRO  13   6.001   1.500  -6.449
   78    HB3  PRO  13           2HB      PRO  13   4.649   0.505  -7.054
   79    HG2  PRO  13           1HG      PRO  13   4.721   2.296  -4.643
   80    HG3  PRO  13           2HG      PRO  13   3.368   1.970  -5.763
   81    HD2  PRO  13           1HD      PRO  13   3.598   0.816  -3.284
   82    HD3  PRO  13           2HD      PRO  13   2.728   0.084  -4.661
   83    H    TYR  14           H        TYR  14   6.466  -0.374  -2.909
   84    HA   TYR  14           HA       TYR  14   9.389  -0.088  -3.572
   85    HB2  TYR  14           1HB      TYR  14   7.761   1.226  -1.399
   86    HB3  TYR  14           2HB      TYR  14   9.514   1.259  -1.455
   87    HD1  TYR  14           1HD      TYR  14   6.441   2.327  -3.240
   88    HD2  TYR  14           2HD      TYR  14  10.686   2.868  -2.779
   89    HE1  TYR  14           1HE      TYR  14   6.352   4.320  -4.758
   90    HE2  TYR  14           2HE      TYR  14  10.580   4.924  -4.194
   91    HH   TYR  14           HH       TYR  14   7.534   6.014  -5.737
   92    H    CYS  15           H        CYS  15   7.032  -1.694  -1.438
   93    HA   CYS  15           HA       CYS  15   9.262  -3.339  -0.354
   94    HB2  CYS  15           1HB      CYS  15   8.613  -3.129   1.887
   95    HB3  CYS  15           2HB      CYS  15   8.780  -1.508   1.238
   96    H    ASP  16           H        ASP  16   8.199  -5.099   1.188
   97    HA   ASP  16           HA       ASP  16   6.938  -6.848  -0.759
   98    HB2  ASP  16           1HB      ASP  16   8.901  -7.418   0.716
   99    HB3  ASP  16           2HB      ASP  16   7.787  -7.468   2.084
  100    H    PHE  17           H        PHE  17   5.513  -4.742   1.402
  101    HA   PHE  17           HA       PHE  17   3.456  -6.525   2.463
  102    HB2  PHE  17           1HB      PHE  17   4.003  -3.568   2.778
  103    HB3  PHE  17           2HB      PHE  17   2.605  -4.358   3.481
  104    HD1  PHE  17           1HD      PHE  17   6.303  -4.100   3.643
  105    HD2  PHE  17           2HD      PHE  17   2.783  -5.929   5.338
  106    HE1  PHE  17           1HE      PHE  17   7.630  -4.840   5.606
  107    HE2  PHE  17           2HE      PHE  17   4.114  -6.665   7.301
  108    HZ   PHE  17           HZ       PHE  17   6.539  -6.123   7.438
  109    H    TYR  18           H        TYR  18   1.214  -6.131   2.390
  110    HA   TYR  18           HA       TYR  18   0.222  -5.364  -0.313
  111    HB2  TYR  18           1HB      TYR  18  -0.761  -7.541   1.569
  112    HB3  TYR  18           2HB      TYR  18  -1.454  -7.149   0.005
  113    HD1  TYR  18           2HD      TYR  18  -0.319  -7.729  -2.088
  114    HD2  TYR  18           1HD      TYR  18   1.380  -8.752   1.743
  115    HE1  TYR  18           2HE      TYR  18   1.291  -9.227  -3.208
  116    HE2  TYR  18           1HE      TYR  18   2.996 -10.261   0.625
  117    HH   TYR  18           HH       TYR  18   3.675 -11.192  -1.351
  118    H    PHE  19           H        PHE  19  -1.876  -4.577  -0.531
  119    HA   PHE  19           HA       PHE  19  -3.402  -3.822   1.917
  120    HB2  PHE  19           1HB      PHE  19  -2.867  -1.962  -0.429
  121    HB3  PHE  19           2HB      PHE  19  -4.221  -1.796   0.639
  122    HD1  PHE  19           1HD      PHE  19  -0.457  -2.184   1.120
  123    HD2  PHE  19           2HD      PHE  19  -4.100  -0.125   2.178
  124    HE1  PHE  19           1HE      PHE  19   0.819  -0.691   2.617
  125    HE2  PHE  19           2HE      PHE  19  -2.810   1.364   3.679
  126    HZ   PHE  19           HZ       PHE  19  -0.352   1.084   3.907
  127    H    MET  20           H        MET  20  -5.586  -4.106   1.743
  128    HA   MET  20           HA       MET  20  -6.587  -5.667  -0.537
  129    HB2  MET  20           1HB      MET  20  -8.572  -6.001   0.822
  130    HB3  MET  20           2HB      MET  20  -7.104  -6.403   1.709
  131    HG2  MET  20           1HG      MET  20  -7.202  -4.265   2.917
  132    HG3  MET  20           2HG      MET  20  -8.633  -3.783   2.015
  133    HE1  MET  20           3HE      MET  20 -11.032  -4.593   2.433
  134    HE2  MET  20           1HE      MET  20 -10.584  -6.247   1.956
  135    HE3  MET  20           2HE      MET  20 -11.473  -5.969   3.466
  136    H    LYS  21           H        LYS  21  -6.441  -2.371   0.106
  137    HA   LYS  21           HA       LYS  21  -8.437  -1.707  -1.994
  138    HB2  LYS  21           1HB      LYS  21  -8.139  -0.315   0.703
  139    HB3  LYS  21           2HB      LYS  21  -9.090   0.328  -0.621
  140    HG2  LYS  21           1HG      LYS  21  -9.744  -2.350   0.682
  141    HG3  LYS  21           2HG      LYS  21 -10.289  -0.812   1.309
  142    HD2  LYS  21           1HD      LYS  21 -12.089  -1.634   0.092
  143    HD3  LYS  21           2HD      LYS  21 -11.415  -0.337  -0.896
  144    HE2  LYS  21           1HE      LYS  21 -10.324  -2.008  -2.360
  145    HE3  LYS  21           2HE      LYS  21 -10.866  -3.314  -1.300
  146    HZ1  LYS  21           3HZ      LYS  21 -13.163  -2.727  -1.862
  147    HZ2  LYS  21           1HZ      LYS  21 -12.328  -3.061  -3.222
  148    HZ3  LYS  21           2HZ      LYS  21 -12.666  -1.512  -2.836
  149    H    ASN  22           H        ASN  22  -8.094   0.418  -2.916
  150    HA   ASN  22           HA       ASN  22  -5.219   1.185  -3.011
  151    HB2  ASN  22           1HB      ASN  22  -5.600   1.882  -5.274
  152    HB3  ASN  22           2HB      ASN  22  -6.179   0.235  -5.079
  153   HD21  ASN  22          1HD2      ASN  22  -7.016   1.597  -7.276
  154   HD22  ASN  22          2HD2      ASN  22  -8.706   2.044  -7.087
  155    H    GLY  23           H        GLY  23  -7.320   2.209  -1.066
  156    HA2  GLY  23           1HA      GLY  23  -7.925   4.955  -1.715
  157    HA3  GLY  23           2HA      GLY  23  -8.089   4.177  -0.146
  158    H    SER  24           H        SER  24  -7.435   6.588   0.200
  159    HA   SER  24           HA       SER  24  -4.916   7.610  -0.316
  160    HB2  SER  24           1HB      SER  24  -6.639   8.212   2.114
  161    HB3  SER  24           2HB      SER  24  -5.393   9.262   1.410
  162    HG   SER  24           HG       SER  24  -7.512   9.825   0.703
  163    H    ASP  25           H        ASP  25  -5.684   5.357   2.305
  164    HA   ASP  25           HA       ASP  25  -3.384   5.809   3.950
  165    HB2  ASP  25           1HB      ASP  25  -4.993   3.274   3.434
  166    HB3  ASP  25           2HB      ASP  25  -3.797   3.467   4.713
  167    H    LEU  26           H        LEU  26  -3.788   3.856   0.979
  168    HA   LEU  26           HA       LEU  26  -1.107   2.727   1.044
  169    HB2  LEU  26           1HB      LEU  26  -2.880   1.617  -0.203
  170    HB3  LEU  26           2HB      LEU  26  -3.162   3.063  -1.174
  171    HG   LEU  26           HG       LEU  26  -0.915   2.865  -2.187
  172   HD11  LEU  26          1HD1      LEU  26   0.356   0.735  -1.896
  173   HD12  LEU  26          2HD1      LEU  26  -0.735   0.302  -0.557
  174   HD13  LEU  26          3HD1      LEU  26   0.335   1.709  -0.426
  175   HD21  LEU  26          3HD2      LEU  26  -2.580   0.340  -2.372
  176   HD22  LEU  26          1HD2      LEU  26  -1.377   0.913  -3.559
  177   HD23  LEU  26          2HD2      LEU  26  -2.850   1.853  -3.274
  178    H    GLN  27           H        GLN  27  -2.616   5.636  -0.436
  179    HA   GLN  27           HA       GLN  27  -0.320   6.490  -1.885
  180    HB2  GLN  27           1HB      GLN  27  -2.650   7.291  -2.212
  181    HB3  GLN  27           2HB      GLN  27  -2.552   8.181  -0.685
  182    HG2  GLN  27           1HG      GLN  27  -0.760   9.576  -1.555
  183    HG3  GLN  27           2HG      GLN  27  -0.668   8.609  -3.035
  184   HE21  GLN  27          1HE2      GLN  27  -2.909  10.751  -1.164
  185   HE22  GLN  27          2HE2      GLN  27  -3.806  11.261  -2.586
  186    H    ARG  28           H        ARG  28  -1.335   7.197   1.501
  187    HA   ARG  28           HA       ARG  28   0.987   8.808   2.137
  188    HB2  ARG  28           1HB      ARG  28  -0.687   7.170   4.073
  189    HB3  ARG  28           2HB      ARG  28   0.394   8.502   4.456
  190    HG2  ARG  28           1HG      ARG  28  -1.462   9.554   2.548
  191    HG3  ARG  28           2HG      ARG  28  -2.393   8.521   3.631
  192    HD2  ARG  28           1HD      ARG  28  -2.537  10.580   4.661
  193    HD3  ARG  28           2HD      ARG  28  -1.253   9.805   5.578
  194    HE   ARG  28           HE       ARG  28  -0.995  11.955   3.502
  195   HH11  ARG  28          2HH1      ARG  28   0.648  10.258   6.120
  196   HH12  ARG  28          1HH1      ARG  28   1.976  11.409   6.099
  197   HH21  ARG  28          2HH2      ARG  28   0.733  13.344   3.596
  198   HH22  ARG  28          1HH2      ARG  28   2.007  13.065   4.759
  199    H    HIS  29           H        HIS  29   0.368   5.305   2.524
  200    HA   HIS  29           HA       HIS  29   2.867   4.607   3.697
  201    HB2  HIS  29           1HB      HIS  29   0.982   3.076   3.599
  202    HB3  HIS  29           2HB      HIS  29   1.032   3.045   1.839
  203    HD1  HIS  29           1HD      HIS  29   2.843   1.558   4.854
  204    HD2  HIS  29           2HD      HIS  29   2.946   1.571   0.652
  205    HE1  HIS  29           1HE      HIS  29   4.422  -0.317   4.197
  206    H    ILE  30           H        ILE  30   2.044   5.049   0.236
  207    HA   ILE  30           HA       ILE  30   4.689   4.326  -0.708
  208    HB   ILE  30           HB       ILE  30   2.300   5.726  -1.952
  209   HG12  ILE  30          1HG1      ILE  30   3.618   3.041  -2.574
  210   HG13  ILE  30          2HG1      ILE  30   2.284   3.217  -1.439
  211   HG21  ILE  30          1HG2      ILE  30   3.561   5.521  -4.147
  212   HG22  ILE  30          2HG2      ILE  30   4.222   6.716  -3.039
  213   HG23  ILE  30          3HG2      ILE  30   5.007   5.132  -3.186
  214   HD11  ILE  30          3HD1      ILE  30   2.187   3.819  -4.412
  215   HD12  ILE  30          1HD1      ILE  30   1.337   2.546  -3.527
  216   HD13  ILE  30          2HD1      ILE  30   0.907   4.257  -3.252
  217    H    TRP  31           H        TRP  31   3.086   7.507  -0.317
  218    HA   TRP  31           HA       TRP  31   5.249   9.216  -0.839
  219    HB2  TRP  31           1HB      TRP  31   2.987   9.350   1.167
  220    HB3  TRP  31           2HB      TRP  31   4.130  10.655   0.998
  221    HD1  TRP  31           1HD      TRP  31   4.065   9.985  -2.392
  222    HE1  TRP  31           1HE      TRP  31   2.305  11.258  -3.670
  223    HE3  TRP  31           3HE      TRP  31   0.973  11.202   1.516
  224    HZ2  TRP  31           2HZ      TRP  31  -0.151  12.713  -3.102
  225    HZ3  TRP  31           3HZ      TRP  31  -1.084  12.549   1.102
  226    HH2  TRP  31           2HH      TRP  31  -1.638  13.323  -1.188
  227    H    ALA  32           H        ALA  32   4.725   7.257   2.065
  228    HA   ALA  32           HA       ALA  32   6.814   8.440   3.646
  229    HB1  ALA  32           1HB      ALA  32   4.921   7.164   4.592
  230    HB2  ALA  32           2HB      ALA  32   5.525   5.684   3.812
  231    HB3  ALA  32           3HB      ALA  32   6.475   6.468   5.090
  232    H    HIS  33           H        HIS  33   6.873   5.750   1.277
  233    HA   HIS  33           HA       HIS  33   9.641   5.005   1.816
  234    HB2  HIS  33           1HB      HIS  33   7.853   4.540  -0.604
  235    HB3  HIS  33           2HB      HIS  33   9.471   3.885  -0.400
  236    HD1  HIS  33           1HD      HIS  33   9.682   2.364   2.078
  237    HD2  HIS  33           2HD      HIS  33   6.049   2.790   0.017
  238    HE1  HIS  33           1HE      HIS  33   8.262   0.383   2.770
  239    H    GLU  34           H        GLU  34   8.052   7.399  -0.269
  240    HA   GLU  34           HA       GLU  34  10.543   8.363  -1.455
  241    HB2  GLU  34           1HB      GLU  34   7.783   9.638  -1.313
  242    HB3  GLU  34           2HB      GLU  34   9.148  10.235  -2.256
  243    HG2  GLU  34           1HG      GLU  34   9.201   8.077  -3.514
  244    HG3  GLU  34           2HG      GLU  34   7.744   7.564  -2.655
  245    H    GLY  35           H        GLY  35   9.638   8.472   1.710
  246    HA2  GLY  35           1HA      GLY  35  10.688   9.520   3.471
  247    HA3  GLY  35           2HA      GLY  35  11.513  10.610   2.355
  248    H    VAL  36           H        VAL  36   8.171  10.707   1.765
  249    HA   VAL  36           HA       VAL  36   7.935  13.396   2.926
  250    HB   VAL  36           HB       VAL  36   5.932  11.784   1.319
  251   HG11  VAL  36          1HG1      VAL  36   4.829  13.595   2.533
  252   HG12  VAL  36          2HG1      VAL  36   6.049  14.759   1.953
  253   HG13  VAL  36          3HG1      VAL  36   4.919  13.988   0.820
  254   HG21  VAL  36          3HG2      VAL  36   6.633  13.191  -0.599
  255   HG22  VAL  36          1HG2      VAL  36   7.943  13.873   0.396
  256   HG23  VAL  36          2HG2      VAL  36   7.934  12.146  -0.033
  257    H    LYS  37           H        LYS  37   6.525  14.011   4.539
  258    HA   LYS  37           HA       LYS  37   5.945  11.911   6.529
  259    HB2  LYS  37           1HB      LYS  37   5.975  14.953   6.762
  260    HB3  LYS  37           2HB      LYS  37   5.609  13.822   8.062
  261    HG2  LYS  37           1HG      LYS  37   7.819  14.222   8.491
  262    HG3  LYS  37           2HG      LYS  37   7.928  12.749   7.540
  263    HD2  LYS  37           1HD      LYS  37   8.485  14.214   5.510
  264    HD3  LYS  37           2HD      LYS  37   8.403  15.612   6.584
  265    HE2  LYS  37           1HE      LYS  37  10.697  15.066   6.340
  266    HE3  LYS  37           2HE      LYS  37  10.239  14.572   7.972
  267    HZ1  LYS  37           3HZ      LYS  37  10.428  12.738   5.627
  268    HZ2  LYS  37           1HZ      LYS  37  10.100  12.280   7.164
  269    HZ3  LYS  37           2HZ      LYS  37  11.570  12.879   6.792
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  -0.246 -11.170   3.508
    2    H2   GLY   1           2H       GLY   1   0.859 -12.377   3.400
    3    H3   GLY   1           3H       GLY   1  -0.513 -12.599   4.265
    4    HA2  GLY   1           1HA      GLY   1  -1.868 -12.471   2.281
    5    HA3  GLY   1           2HA      GLY   1  -0.387 -12.200   1.342
    6    H    SER   2           H        SER   2  -2.563 -14.490   1.657
    7    HA   SER   2           HA       SER   2  -0.983 -16.792   2.475
    8    HB2  SER   2           1HB      SER   2  -3.051 -18.055   1.804
    9    HB3  SER   2           2HB      SER   2  -3.236 -16.848   3.084
   10    HG   SER   2           HG       SER   2  -4.923 -16.612   1.642
   11    H    SER   3           H        SER   3  -0.245 -18.458   1.322
   12    HA   SER   3           HA       SER   3   1.000 -17.932  -1.150
   13    HB2  SER   3           1HB      SER   3   0.573 -20.610   0.233
   14    HB3  SER   3           2HB      SER   3   1.827 -20.227  -0.960
   15    HG   SER   3           HG       SER   3   2.615 -20.093   1.192
   16    H    GLY   4           H        GLY   4   1.025 -19.483  -3.042
   17    HA2  GLY   4           1HA      GLY   4   0.038 -20.524  -4.835
   18    HA3  GLY   4           2HA      GLY   4  -1.230 -21.087  -3.741
   19    H    SER   5           H        SER   5  -0.588 -17.669  -4.286
   20    HA   SER   5           HA       SER   5  -1.902 -15.947  -4.882
   21    HB2  SER   5           1HB      SER   5  -2.901 -17.731  -7.117
   22    HB3  SER   5           2HB      SER   5  -2.984 -15.965  -7.053
   23    HG   SER   5           HG       SER   5  -0.717 -15.882  -7.076
   24    H    SER   6           H        SER   6  -3.083 -17.865  -2.903
   25    HA   SER   6           HA       SER   6  -5.968 -17.484  -3.131
   26    HB2  SER   6           1HB      SER   6  -4.166 -18.108  -0.766
   27    HB3  SER   6           2HB      SER   6  -5.935 -18.024  -0.678
   28    HG   SER   6           HG       SER   6  -6.063 -19.724  -2.178
   29    H    GLY   7           H        GLY   7  -3.277 -15.630  -1.674
   30    HA2  GLY   7           1HA      GLY   7  -5.018 -13.390  -0.862
   31    HA3  GLY   7           2HA      GLY   7  -3.254 -13.451  -0.803
   32    H    ARG   8           H        ARG   8  -5.673 -11.838  -2.243
   33    HA   ARG   8           HA       ARG   8  -4.260 -11.422  -4.858
   34    HB2  ARG   8           1HB      ARG   8  -7.260 -11.688  -4.418
   35    HB3  ARG   8           2HB      ARG   8  -6.469 -11.280  -5.950
   36    HG2  ARG   8           1HG      ARG   8  -5.199 -13.437  -5.843
   37    HG3  ARG   8           2HG      ARG   8  -6.133 -13.880  -4.404
   38    HD2  ARG   8           1HD      ARG   8  -8.224 -13.744  -5.713
   39    HD3  ARG   8           2HD      ARG   8  -7.276 -13.333  -7.165
   40    HE   ARG   8           HE       ARG   8  -6.215 -15.715  -5.997
   41   HH11  ARG   8          2HH1      ARG   8  -9.077 -14.783  -7.800
   42   HH12  ARG   8          1HH1      ARG   8  -9.303 -16.390  -8.438
   43   HH21  ARG   8          2HH2      ARG   8  -6.552 -17.703  -6.821
   44   HH22  ARG   8          1HH2      ARG   8  -7.893 -18.014  -7.891
   45    H    ALA   9           H        ALA   9  -4.280  -9.827  -2.313
   46    HA   ALA   9           HA       ALA   9  -5.315  -7.197  -3.034
   47    HB1  ALA   9           1HB      ALA   9  -3.876  -6.485  -1.128
   48    HB2  ALA   9           2HB      ALA   9  -4.970  -7.814  -0.697
   49    HB3  ALA   9           3HB      ALA   9  -3.245  -8.134  -1.003
   50    H    MET  10           H        MET  10  -3.754  -5.312  -3.223
   51    HA   MET  10           HA       MET  10  -1.814  -5.778  -5.380
   52    HB2  MET  10           1HB      MET  10  -1.882  -3.531  -5.748
   53    HB3  MET  10           2HB      MET  10  -3.455  -3.768  -4.997
   54    HG2  MET  10           1HG      MET  10  -2.716  -1.883  -3.929
   55    HG3  MET  10           2HG      MET  10  -2.249  -3.118  -2.774
   56    HE1  MET  10           3HE      MET  10   1.070  -1.765  -1.896
   57    HE2  MET  10           1HE      MET  10  -0.611  -2.045  -1.433
   58    HE3  MET  10           2HE      MET  10   0.403  -3.401  -1.929
   59    H    LYS  11           H        LYS  11   0.467  -5.190  -5.197
   60    HA   LYS  11           HA       LYS  11   1.576  -5.359  -2.421
   61    HB2  LYS  11           1HB      LYS  11   1.838  -7.406  -3.907
   62    HB3  LYS  11           2HB      LYS  11   2.953  -6.447  -4.890
   63    HG2  LYS  11           1HG      LYS  11   4.416  -6.112  -2.911
   64    HG3  LYS  11           2HG      LYS  11   3.227  -6.946  -1.887
   65    HD2  LYS  11           1HD      LYS  11   3.505  -8.987  -3.351
   66    HD3  LYS  11           2HD      LYS  11   4.839  -8.165  -4.176
   67    HE2  LYS  11           1HE      LYS  11   6.148  -8.066  -2.163
   68    HE3  LYS  11           2HE      LYS  11   4.755  -8.503  -1.155
   69    HZ1  LYS  11           3HZ      LYS  11   4.763 -10.695  -2.101
   70    HZ2  LYS  11           1HZ      LYS  11   6.255 -10.395  -1.514
   71    HZ3  LYS  11           2HZ      LYS  11   5.997 -10.339  -3.126
   72    H    CYS  12           H        CYS  12   3.039  -3.933  -1.800
   73    HA   CYS  12           HA       CYS  12   3.042  -1.386  -2.839
   74    HB2  CYS  12           1HB      CYS  12   3.444  -1.964  -0.544
   75    HB3  CYS  12           2HB      CYS  12   4.914  -2.848  -0.959
   76    HA   PRO  13           HA       PRO  13   6.148  -1.396  -6.007
   77    HB2  PRO  13           1HB      PRO  13   6.458   1.323  -6.411
   78    HB3  PRO  13           2HB      PRO  13   5.104   0.325  -7.013
   79    HG2  PRO  13           1HG      PRO  13   5.166   2.146  -4.621
   80    HG3  PRO  13           2HG      PRO  13   3.827   1.831  -5.762
   81    HD2  PRO  13           1HD      PRO  13   3.997   0.709  -3.275
   82    HD3  PRO  13           2HD      PRO  13   3.142  -0.037  -4.655
   83    H    TYR  14           H        TYR  14   6.816  -0.499  -2.819
   84    HA   TYR  14           HA       TYR  14   9.761  -0.235  -3.388
   85    HB2  TYR  14           1HB      TYR  14   8.083   1.079  -1.249
   86    HB3  TYR  14           2HB      TYR  14   9.836   1.103  -1.269
   87    HD1  TYR  14           1HD      TYR  14   6.796   2.230  -3.068
   88    HD2  TYR  14           2HD      TYR  14  11.057   2.665  -2.618
   89    HE1  TYR  14           1HE      TYR  14   6.756   4.234  -4.574
   90    HE2  TYR  14           2HE      TYR  14  10.999   4.715  -4.042
   91    HH   TYR  14           HH       TYR  14   7.979   5.882  -5.576
   92    H    CYS  15           H        CYS  15   7.322  -1.851  -1.379
   93    HA   CYS  15           HA       CYS  15   9.467  -3.564  -0.247
   94    HB2  CYS  15           1HB      CYS  15   8.819  -3.308   1.990
   95    HB3  CYS  15           2HB      CYS  15   9.031  -1.692   1.342
   96    H    ASP  16           H        ASP  16   8.104  -5.155   1.417
   97    HA   ASP  16           HA       ASP  16   6.725  -6.886  -0.499
   98    HB2  ASP  16           1HB      ASP  16   7.077  -8.640   1.101
   99    HB3  ASP  16           2HB      ASP  16   8.567  -7.736   0.882
  100    H    PHE  17           H        PHE  17   5.521  -4.507   1.496
  101    HA   PHE  17           HA       PHE  17   3.370  -5.979   2.753
  102    HB2  PHE  17           1HB      PHE  17   4.616  -3.884   3.567
  103    HB3  PHE  17           2HB      PHE  17   3.562  -2.977   2.491
  104    HD1  PHE  17           2HD      PHE  17   3.731  -5.142   5.512
  105    HD2  PHE  17           1HD      PHE  17   1.204  -2.647   3.073
  106    HE1  PHE  17           2HE      PHE  17   2.012  -5.127   7.306
  107    HE2  PHE  17           1HE      PHE  17  -0.510  -2.621   4.867
  108    HZ   PHE  17           HZ       PHE  17  -0.110  -3.862   6.990
  109    H    TYR  18           H        TYR  18   1.109  -5.694   2.501
  110    HA   TYR  18           HA       TYR  18   0.230  -5.139  -0.288
  111    HB2  TYR  18           1HB      TYR  18  -0.847  -7.101   1.761
  112    HB3  TYR  18           2HB      TYR  18  -1.568  -6.793   0.194
  113    HD1  TYR  18           1HD      TYR  18   1.501  -8.122   1.865
  114    HD2  TYR  18           2HD      TYR  18  -0.787  -7.880  -1.784
  115    HE1  TYR  18           1HE      TYR  18   2.948  -9.844   0.843
  116    HE2  TYR  18           2HE      TYR  18   0.646  -9.612  -2.805
  117    HH   TYR  18           HH       TYR  18   2.336 -11.135  -2.461
  118    H    PHE  19           H        PHE  19  -1.760  -4.199  -0.731
  119    HA   PHE  19           HA       PHE  19  -3.493  -3.306   1.500
  120    HB2  PHE  19           1HB      PHE  19  -2.390  -1.381  -0.576
  121    HB3  PHE  19           2HB      PHE  19  -3.850  -1.079   0.310
  122    HD1  PHE  19           1HD      PHE  19  -0.163  -1.383   0.695
  123    HD2  PHE  19           2HD      PHE  19  -3.904  -0.425   2.613
  124    HE1  PHE  19           1HE      PHE  19   1.061  -0.293   2.546
  125    HE2  PHE  19           2HE      PHE  19  -2.666   0.625   4.491
  126    HZ   PHE  19           HZ       PHE  19  -0.180   0.717   4.449
  127    H    MET  20           H        MET  20  -5.611  -2.723   0.902
  128    HA   MET  20           HA       MET  20  -6.620  -3.936  -1.626
  129    HB2  MET  20           1HB      MET  20  -8.794  -4.122  -0.468
  130    HB3  MET  20           2HB      MET  20  -7.501  -5.065   0.241
  131    HG2  MET  20           1HG      MET  20  -8.831  -4.130   1.999
  132    HG3  MET  20           2HG      MET  20  -7.222  -3.439   2.051
  133    HE1  MET  20           3HE      MET  20 -11.042  -2.829   1.661
  134    HE2  MET  20           1HE      MET  20 -11.133  -1.207   0.943
  135    HE3  MET  20           2HE      MET  20 -10.548  -2.574  -0.027
  136    H    LYS  21           H        LYS  21  -8.905  -2.796  -2.100
  137    HA   LYS  21           HA       LYS  21  -8.092  -0.515  -3.520
  138    HB2  LYS  21           1HB      LYS  21 -10.284  -0.559  -4.515
  139    HB3  LYS  21           2HB      LYS  21  -9.667  -2.195  -4.328
  140    HG2  LYS  21           1HG      LYS  21 -11.099  -2.535  -2.332
  141    HG3  LYS  21           2HG      LYS  21 -11.692  -0.869  -2.459
  142    HD2  LYS  21           1HD      LYS  21 -12.638  -1.377  -4.698
  143    HD3  LYS  21           2HD      LYS  21 -12.046  -3.048  -4.566
  144    HE2  LYS  21           1HE      LYS  21 -13.432  -3.376  -2.528
  145    HE3  LYS  21           2HE      LYS  21 -14.019  -1.712  -2.654
  146    HZ1  LYS  21           3HZ      LYS  21 -15.014  -2.297  -4.804
  147    HZ2  LYS  21           1HZ      LYS  21 -15.592  -3.279  -3.637
  148    HZ3  LYS  21           2HZ      LYS  21 -14.474  -3.835  -4.687
  149    H    ASN  22           H        ASN  22  -8.519  -0.046  -0.388
  150    HA   ASN  22           HA       ASN  22 -10.221   2.303  -0.294
  151    HB2  ASN  22           1HB      ASN  22  -9.615   0.970   1.699
  152    HB3  ASN  22           2HB      ASN  22  -7.918   1.409   1.489
  153   HD21  ASN  22          1HD2      ASN  22  -7.619   2.559   3.383
  154   HD22  ASN  22          2HD2      ASN  22  -8.533   4.028   3.764
  155    H    GLY  23           H        GLY  23  -6.749   1.813  -0.924
  156    HA2  GLY  23           1HA      GLY  23  -5.332   2.974  -2.293
  157    HA3  GLY  23           2HA      GLY  23  -6.662   4.046  -2.714
  158    H    SER  24           H        SER  24  -7.129   5.288  -0.142
  159    HA   SER  24           HA       SER  24  -5.109   7.322  -0.251
  160    HB2  SER  24           1HB      SER  24  -6.293   8.272   1.709
  161    HB3  SER  24           2HB      SER  24  -7.373   7.850   0.368
  162    HG   SER  24           HG       SER  24  -8.197   7.144   2.394
  163    H    ASP  25           H        ASP  25  -5.482   4.540   1.846
  164    HA   ASP  25           HA       ASP  25  -3.338   5.192   3.704
  165    HB2  ASP  25           1HB      ASP  25  -3.591   2.771   4.329
  166    HB3  ASP  25           2HB      ASP  25  -4.996   3.798   4.542
  167    H    LEU  26           H        LEU  26  -3.569   3.110   0.792
  168    HA   LEU  26           HA       LEU  26  -0.830   2.359   0.688
  169    HB2  LEU  26           1HB      LEU  26  -2.526   1.265  -0.664
  170    HB3  LEU  26           2HB      LEU  26  -2.887   2.765  -1.518
  171    HG   LEU  26           HG       LEU  26  -0.636   2.776  -2.538
  172   HD11  LEU  26          1HD1      LEU  26  -0.294   0.162  -1.034
  173   HD12  LEU  26          2HD1      LEU  26   0.705   1.611  -0.863
  174   HD13  LEU  26          3HD1      LEU  26   0.760   0.685  -2.366
  175   HD21  LEU  26          3HD2      LEU  26  -2.127   0.160  -2.880
  176   HD22  LEU  26          1HD2      LEU  26  -0.949   0.859  -4.020
  177   HD23  LEU  26          2HD2      LEU  26  -2.482   1.693  -3.709
  178    H    GLN  27           H        GLN  27  -2.455   5.245  -0.740
  179    HA   GLN  27           HA       GLN  27  -0.170   6.381  -1.989
  180    HB2  GLN  27           1HB      GLN  27  -2.672   7.598  -0.771
  181    HB3  GLN  27           2HB      GLN  27  -1.429   8.583  -1.554
  182    HG2  GLN  27           1HG      GLN  27  -1.695   7.455  -3.657
  183    HG3  GLN  27           2HG      GLN  27  -2.774   6.252  -2.968
  184   HE21  GLN  27          1HE2      GLN  27  -3.834   7.357  -5.115
  185   HE22  GLN  27          2HE2      GLN  27  -5.015   8.593  -4.698
  186    H    ARG  28           H        ARG  28  -1.366   6.898   1.378
  187    HA   ARG  28           HA       ARG  28   0.846   8.524   2.196
  188    HB2  ARG  28           1HB      ARG  28  -1.311   8.379   3.405
  189    HB3  ARG  28           2HB      ARG  28  -0.961   6.710   3.850
  190    HG2  ARG  28           1HG      ARG  28  -0.547   8.224   5.716
  191    HG3  ARG  28           2HG      ARG  28   0.954   7.441   5.221
  192    HD2  ARG  28           1HD      ARG  28   1.642   9.486   4.011
  193    HD3  ARG  28           2HD      ARG  28   0.099  10.260   4.432
  194    HE   ARG  28           HE       ARG  28   1.380   9.394   6.830
  195   HH11  ARG  28          2HH1      ARG  28   1.862  11.913   4.385
  196   HH12  ARG  28          1HH1      ARG  28   2.716  12.912   5.570
  197   HH21  ARG  28          2HH2      ARG  28   2.490  10.856   8.182
  198   HH22  ARG  28          1HH2      ARG  28   3.024  12.381   7.465
  199    H    HIS  29           H        HIS  29   0.455   4.969   2.376
  200    HA   HIS  29           HA       HIS  29   2.944   4.412   3.648
  201    HB2  HIS  29           1HB      HIS  29   1.124   2.804   3.468
  202    HB3  HIS  29           2HB      HIS  29   1.249   2.788   1.711
  203    HD1  HIS  29           1HD      HIS  29   2.994   1.367   4.796
  204    HD2  HIS  29           2HD      HIS  29   3.232   1.383   0.598
  205    HE1  HIS  29           1HE      HIS  29   4.617  -0.490   4.191
  206    H    ILE  30           H        ILE  30   2.206   4.866   0.164
  207    HA   ILE  30           HA       ILE  30   4.915   4.281  -0.703
  208    HB   ILE  30           HB       ILE  30   2.511   5.591  -2.017
  209   HG12  ILE  30          1HG1      ILE  30   3.949   2.961  -2.619
  210   HG13  ILE  30          2HG1      ILE  30   2.561   3.075  -1.542
  211   HG21  ILE  30          1HG2      ILE  30   3.850   5.461  -4.163
  212   HG22  ILE  30          2HG2      ILE  30   4.448   6.652  -3.014
  213   HG23  ILE  30          3HG2      ILE  30   5.272   5.080  -3.166
  214   HD11  ILE  30          3HD1      ILE  30   2.577   3.723  -4.510
  215   HD12  ILE  30          1HD1      ILE  30   1.738   2.406  -3.691
  216   HD13  ILE  30          2HD1      ILE  30   1.232   4.096  -3.404
  217    H    TRP  31           H        TRP  31   3.130   7.365  -0.305
  218    HA   TRP  31           HA       TRP  31   5.247   9.149  -0.793
  219    HB2  TRP  31           1HB      TRP  31   2.911   9.273   1.123
  220    HB3  TRP  31           2HB      TRP  31   3.981  10.639   0.854
  221    HD1  TRP  31           1HD      TRP  31   4.216  10.086  -2.375
  222    HE1  TRP  31           1HE      TRP  31   2.310  10.791  -3.875
  223    HE3  TRP  31           3HE      TRP  31   0.536  10.538   1.173
  224    HZ2  TRP  31           2HZ      TRP  31  -0.500  11.491  -3.608
  225    HZ3  TRP  31           3HZ      TRP  31  -1.752  11.243   0.512
  226    HH2  TRP  31           2HH      TRP  31  -2.283  11.717  -1.869
  227    H    ALA  32           H        ALA  32   4.692   7.186   2.091
  228    HA   ALA  32           HA       ALA  32   6.709   8.426   3.747
  229    HB1  ALA  32           1HB      ALA  32   6.405   6.427   5.151
  230    HB2  ALA  32           2HB      ALA  32   4.838   7.090   4.645
  231    HB3  ALA  32           3HB      ALA  32   5.488   5.637   3.854
  232    H    HIS  33           H        HIS  33   6.852   5.672   1.419
  233    HA   HIS  33           HA       HIS  33   9.654   5.064   1.913
  234    HB2  HIS  33           1HB      HIS  33   7.860   4.529  -0.488
  235    HB3  HIS  33           2HB      HIS  33   9.513   3.966  -0.327
  236    HD1  HIS  33           1HD      HIS  33   9.864   2.414   2.115
  237    HD2  HIS  33           2HD      HIS  33   6.184   2.660   0.107
  238    HE1  HIS  33           1HE      HIS  33   8.588   0.319   2.760
  239    H    GLU  34           H        GLU  34   7.950   7.316  -0.270
  240    HA   GLU  34           HA       GLU  34  10.382   8.388  -1.456
  241    HB2  GLU  34           1HB      GLU  34   7.556   9.506  -1.316
  242    HB3  GLU  34           2HB      GLU  34   8.882  10.213  -2.239
  243    HG2  GLU  34           1HG      GLU  34   9.124   8.046  -3.484
  244    HG3  GLU  34           2HG      GLU  34   7.657   7.467  -2.688
  245    H    GLY  35           H        GLY  35   9.486   8.572   1.726
  246    HA2  GLY  35           1HA      GLY  35  10.546   9.685   3.430
  247    HA3  GLY  35           2HA      GLY  35  11.408  10.681   2.259
  248    H    VAL  36           H        VAL  36   7.973  10.776   1.875
  249    HA   VAL  36           HA       VAL  36   7.843  13.567   2.784
  250    HB   VAL  36           HB       VAL  36   5.644  11.795   1.670
  251   HG11  VAL  36          1HG1      VAL  36   4.546  13.941   1.098
  252   HG12  VAL  36          2HG1      VAL  36   4.728  13.745   2.838
  253   HG13  VAL  36          3HG1      VAL  36   5.833  14.823   1.949
  254   HG21  VAL  36          3HG2      VAL  36   6.036  12.981  -0.474
  255   HG22  VAL  36          1HG2      VAL  36   7.463  13.774   0.235
  256   HG23  VAL  36          2HG2      VAL  36   7.430  12.011  -0.002
  257    H    LYS  37           H        LYS  37   6.843  14.326   4.575
  258    HA   LYS  37           HA       LYS  37   5.584  12.428   6.519
  259    HB2  LYS  37           1HB      LYS  37   7.625  14.611   7.098
  260    HB3  LYS  37           2HB      LYS  37   6.665  13.768   8.319
  261    HG2  LYS  37           1HG      LYS  37   7.669  11.602   7.649
  262    HG3  LYS  37           2HG      LYS  37   8.605  12.414   6.389
  263    HD2  LYS  37           1HD      LYS  37  10.044  12.006   8.264
  264    HD3  LYS  37           2HD      LYS  37   9.791  13.750   8.109
  265    HE2  LYS  37           1HE      LYS  37   8.104  13.668   9.933
  266    HE3  LYS  37           2HE      LYS  37   8.315  11.916  10.057
  267    HZ1  LYS  37           3HZ      LYS  37   9.631  13.092  11.726
  268    HZ2  LYS  37           1HZ      LYS  37  10.438  13.931  10.583
  269    HZ3  LYS  37           2HZ      LYS  37  10.634  12.312  10.703
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  -2.954 -10.140  10.788
    2    H2   GLY   1           2H       GLY   1  -1.347 -10.459  10.738
    3    H3   GLY   1           3H       GLY   1  -2.431 -11.671  10.528
    4    HA2  GLY   1           1HA      GLY   1  -2.017  -9.396   8.695
    5    HA3  GLY   1           2HA      GLY   1  -1.473 -11.060   8.410
    6    H    SER   2           H        SER   2  -2.707 -11.232   6.487
    7    HA   SER   2           HA       SER   2  -5.592 -10.859   6.447
    8    HB2  SER   2           1HB      SER   2  -5.403 -11.832   4.170
    9    HB3  SER   2           2HB      SER   2  -4.342 -10.442   4.447
   10    HG   SER   2           HG       SER   2  -3.257 -12.176   3.388
   11    H    SER   3           H        SER   3  -7.142 -12.524   5.915
   12    HA   SER   3           HA       SER   3  -6.540 -15.326   6.564
   13    HB2  SER   3           1HB      SER   3  -6.931 -14.143   8.777
   14    HB3  SER   3           2HB      SER   3  -8.585 -13.807   8.231
   15    HG   SER   3           HG       SER   3  -8.397 -15.748   9.490
   16    H    GLY   4           H        GLY   4  -8.450 -16.715   6.274
   17    HA2  GLY   4           1HA      GLY   4 -10.368 -17.449   5.222
   18    HA3  GLY   4           2HA      GLY   4 -10.831 -15.782   4.911
   19    H    SER   5           H        SER   5 -11.554 -17.382   3.037
   20    HA   SER   5           HA       SER   5  -9.696 -18.090   0.987
   21    HB2  SER   5           1HB      SER   5 -12.695 -17.623   0.787
   22    HB3  SER   5           2HB      SER   5 -11.688 -18.495  -0.384
   23    HG   SER   5           HG       SER   5 -12.744 -19.916   1.090
   24    H    SER   6           H        SER   6  -9.428 -17.267  -1.116
   25    HA   SER   6           HA       SER   6  -8.848 -15.675  -2.613
   26    HB2  SER   6           1HB      SER   6 -11.590 -14.555  -1.973
   27    HB3  SER   6           2HB      SER   6 -10.648 -14.271  -3.450
   28    HG   SER   6           HG       SER   6 -12.194 -15.958  -3.707
   29    H    GLY   7           H        GLY   7  -7.798 -15.086  -0.039
   30    HA2  GLY   7           1HA      GLY   7  -8.092 -12.336   0.690
   31    HA3  GLY   7           2HA      GLY   7  -6.874 -13.461   1.279
   32    H    ARG   8           H        ARG   8  -6.793 -13.036  -2.149
   33    HA   ARG   8           HA       ARG   8  -4.170 -11.820  -2.080
   34    HB2  ARG   8           1HB      ARG   8  -4.233 -11.906  -4.499
   35    HB3  ARG   8           2HB      ARG   8  -4.720 -13.437  -3.776
   36    HG2  ARG   8           1HG      ARG   8  -7.124 -12.861  -4.221
   37    HG3  ARG   8           2HG      ARG   8  -6.593 -11.360  -5.009
   38    HD2  ARG   8           1HD      ARG   8  -5.275 -12.700  -6.643
   39    HD3  ARG   8           2HD      ARG   8  -5.772 -14.180  -5.829
   40    HE   ARG   8           HE       ARG   8  -7.915 -14.031  -6.738
   41   HH11  ARG   8          2HH1      ARG   8  -6.169 -11.133  -7.665
   42   HH12  ARG   8          1HH1      ARG   8  -7.351 -10.706  -8.872
   43   HH21  ARG   8          2HH2      ARG   8  -9.373 -13.424  -8.286
   44   HH22  ARG   8          1HH2      ARG   8  -9.116 -11.971  -9.207
   45    H    ALA   9           H        ALA   9  -3.461  -9.879  -2.913
   46    HA   ALA   9           HA       ALA   9  -5.314  -7.556  -2.951
   47    HB1  ALA   9           1HB      ALA   9  -4.919  -8.036  -0.586
   48    HB2  ALA   9           2HB      ALA   9  -3.174  -8.166  -0.865
   49    HB3  ALA   9           3HB      ALA   9  -3.988  -6.597  -1.023
   50    H    MET  10           H        MET  10  -3.878  -5.445  -3.060
   51    HA   MET  10           HA       MET  10  -2.014  -5.740  -5.313
   52    HB2  MET  10           1HB      MET  10  -2.328  -3.541  -5.715
   53    HB3  MET  10           2HB      MET  10  -3.788  -3.801  -4.778
   54    HG2  MET  10           1HG      MET  10  -3.015  -1.869  -3.869
   55    HG3  MET  10           2HG      MET  10  -2.387  -3.051  -2.732
   56    HE1  MET  10           3HE      MET  10   0.113  -3.042  -1.990
   57    HE2  MET  10           1HE      MET  10   0.927  -1.499  -2.304
   58    HE3  MET  10           2HE      MET  10  -0.732  -1.511  -1.707
   59    H    LYS  11           H        LYS  11   0.231  -5.168  -5.254
   60    HA   LYS  11           HA       LYS  11   1.544  -5.431  -2.573
   61    HB2  LYS  11           1HB      LYS  11   2.011  -7.220  -4.266
   62    HB3  LYS  11           2HB      LYS  11   2.665  -5.984  -5.345
   63    HG2  LYS  11           1HG      LYS  11   4.310  -5.391  -3.478
   64    HG3  LYS  11           2HG      LYS  11   3.751  -6.821  -2.615
   65    HD2  LYS  11           1HD      LYS  11   4.595  -8.269  -4.354
   66    HD3  LYS  11           2HD      LYS  11   4.873  -6.913  -5.462
   67    HE2  LYS  11           1HE      LYS  11   6.250  -7.213  -2.765
   68    HE3  LYS  11           2HE      LYS  11   6.951  -7.801  -4.271
   69    HZ1  LYS  11           3HZ      LYS  11   7.137  -5.587  -5.084
   70    HZ2  LYS  11           1HZ      LYS  11   7.645  -5.493  -3.521
   71    HZ3  LYS  11           2HZ      LYS  11   6.182  -4.943  -3.919
   72    H    CYS  12           H        CYS  12   2.861  -3.889  -1.800
   73    HA   CYS  12           HA       CYS  12   3.001  -1.266  -2.700
   74    HB2  CYS  12           1HB      CYS  12   3.466  -2.034  -0.447
   75    HB3  CYS  12           2HB      CYS  12   4.910  -2.900  -1.001
   76    HA   PRO  13           HA       PRO  13   6.015  -1.565  -5.981
   77    HB2  PRO  13           1HB      PRO  13   6.246   1.102  -6.638
   78    HB3  PRO  13           2HB      PRO  13   4.893   0.032  -7.098
   79    HG2  PRO  13           1HG      PRO  13   4.988   2.084  -4.908
   80    HG3  PRO  13           2HG      PRO  13   3.622   1.619  -5.957
   81    HD2  PRO  13           1HD      PRO  13   3.969   0.747  -3.356
   82    HD3  PRO  13           2HD      PRO  13   3.007  -0.100  -4.600
   83    H    TYR  14           H        TYR  14   6.710  -0.376  -2.894
   84    HA   TYR  14           HA       TYR  14   9.618   0.062  -3.549
   85    HB2  TYR  14           1HB      TYR  14   7.846   1.298  -1.445
   86    HB3  TYR  14           2HB      TYR  14   9.598   1.420  -1.412
   87    HD1  TYR  14           1HD      TYR  14   6.577   2.274  -3.385
   88    HD2  TYR  14           2HD      TYR  14  10.746   3.076  -2.695
   89    HE1  TYR  14           1HE      TYR  14   6.455   4.236  -4.943
   90    HE2  TYR  14           2HE      TYR  14  10.604   5.093  -4.160
   91    HH   TYR  14           HH       TYR  14   7.592   5.980  -5.889
   92    H    CYS  15           H        CYS  15   7.377  -1.629  -1.379
   93    HA   CYS  15           HA       CYS  15   9.699  -3.184  -0.354
   94    HB2  CYS  15           1HB      CYS  15   8.978  -3.224   1.862
   95    HB3  CYS  15           2HB      CYS  15   9.090  -1.554   1.352
   96    H    ASP  16           H        ASP  16   7.255  -4.409   1.237
   97    HA   ASP  16           HA       ASP  16   6.371  -6.357  -0.825
   98    HB2  ASP  16           1HB      ASP  16   8.562  -7.105   0.219
   99    HB3  ASP  16           2HB      ASP  16   7.711  -7.233   1.757
  100    H    PHE  17           H        PHE  17   5.267  -4.247   1.300
  101    HA   PHE  17           HA       PHE  17   3.337  -5.912   2.744
  102    HB2  PHE  17           1HB      PHE  17   4.478  -3.685   3.497
  103    HB3  PHE  17           2HB      PHE  17   3.199  -2.910   2.575
  104    HD1  PHE  17           2HD      PHE  17   0.811  -3.142   3.340
  105    HD2  PHE  17           1HD      PHE  17   4.062  -4.919   5.544
  106    HE1  PHE  17           2HE      PHE  17  -0.685  -3.450   5.287
  107    HE2  PHE  17           1HE      PHE  17   2.560  -5.231   7.498
  108    HZ   PHE  17           HZ       PHE  17   0.184  -4.496   7.375
  109    H    TYR  18           H        TYR  18   1.096  -5.940   2.470
  110    HA   TYR  18           HA       TYR  18   0.140  -5.262  -0.256
  111    HB2  TYR  18           1HB      TYR  18  -0.643  -7.466   1.666
  112    HB3  TYR  18           2HB      TYR  18  -1.541  -7.081   0.208
  113    HD1  TYR  18           1HD      TYR  18   1.812  -8.190   1.439
  114    HD2  TYR  18           2HD      TYR  18  -0.831  -7.817  -1.950
  115    HE1  TYR  18           1HE      TYR  18   3.420  -9.439   0.055
  116    HE2  TYR  18           2HE      TYR  18   0.767  -9.111  -3.338
  117    HH   TYR  18           HH       TYR  18   3.881 -10.327  -2.023
  118    H    PHE  19           H        PHE  19  -1.869  -4.430  -0.684
  119    HA   PHE  19           HA       PHE  19  -3.567  -3.478   1.574
  120    HB2  PHE  19           1HB      PHE  19  -2.522  -1.704  -0.657
  121    HB3  PHE  19           2HB      PHE  19  -3.852  -1.286   0.377
  122    HD1  PHE  19           1HD      PHE  19  -0.168  -2.043   0.485
  123    HD2  PHE  19           2HD      PHE  19  -3.558  -0.253   2.467
  124    HE1  PHE  19           1HE      PHE  19   1.351  -0.966   2.117
  125    HE2  PHE  19           2HE      PHE  19  -2.030   0.800   4.112
  126    HZ   PHE  19           HZ       PHE  19   0.421   0.435   3.949
  127    H    MET  20           H        MET  20  -5.696  -3.058   1.092
  128    HA   MET  20           HA       MET  20  -6.859  -4.337  -1.313
  129    HB2  MET  20           1HB      MET  20  -8.130  -3.111   1.172
  130    HB3  MET  20           2HB      MET  20  -9.012  -3.927  -0.116
  131    HG2  MET  20           1HG      MET  20  -6.964  -5.177   1.736
  132    HG3  MET  20           2HG      MET  20  -8.702  -5.422   1.765
  133    HE1  MET  20           3HE      MET  20 -10.068  -6.825   0.003
  134    HE2  MET  20           1HE      MET  20  -9.459  -5.872  -1.373
  135    HE3  MET  20           2HE      MET  20  -9.351  -7.642  -1.404
  136    H    LYS  21           H        LYS  21  -9.051  -2.905  -1.860
  137    HA   LYS  21           HA       LYS  21  -8.086  -0.877  -3.615
  138    HB2  LYS  21           1HB      LYS  21 -10.920  -1.650  -2.806
  139    HB3  LYS  21           2HB      LYS  21 -10.517  -0.571  -4.146
  140    HG2  LYS  21           1HG      LYS  21  -9.227  -2.370  -5.250
  141    HG3  LYS  21           2HG      LYS  21  -9.651  -3.488  -3.940
  142    HD2  LYS  21           1HD      LYS  21 -12.050  -3.224  -4.464
  143    HD3  LYS  21           2HD      LYS  21 -11.648  -2.084  -5.767
  144    HE2  LYS  21           1HE      LYS  21 -10.322  -3.859  -6.900
  145    HE3  LYS  21           2HE      LYS  21 -10.738  -4.994  -5.609
  146    HZ1  LYS  21           3HZ      LYS  21 -12.697  -3.697  -7.433
  147    HZ2  LYS  21           1HZ      LYS  21 -13.083  -4.745  -6.241
  148    HZ3  LYS  21           2HZ      LYS  21 -12.211  -5.251  -7.523
  149    H    ASN  22           H        ASN  22  -8.538  -0.398  -0.365
  150    HA   ASN  22           HA       ASN  22  -9.540   2.359  -0.433
  151    HB2  ASN  22           1HB      ASN  22  -8.300   0.653   1.768
  152    HB3  ASN  22           2HB      ASN  22  -8.882   2.299   1.997
  153   HD21  ASN  22          1HD2      ASN  22  -9.958   0.443   3.612
  154   HD22  ASN  22          2HD2      ASN  22 -11.612   0.113   3.115
  155    H    GLY  23           H        GLY  23  -7.926   2.765  -2.229
  156    HA2  GLY  23           1HA      GLY  23  -5.156   2.758  -1.928
  157    HA3  GLY  23           2HA      GLY  23  -6.049   3.752  -3.078
  158    H    SER  24           H        SER  24  -7.323   5.216  -0.637
  159    HA   SER  24           HA       SER  24  -5.652   7.469  -0.553
  160    HB2  SER  24           1HB      SER  24  -7.633   6.582   1.580
  161    HB3  SER  24           2HB      SER  24  -7.052   8.233   1.288
  162    HG   SER  24           HG       SER  24  -9.096   7.856   0.307
  163    H    ASP  25           H        ASP  25  -5.591   4.626   1.611
  164    HA   ASP  25           HA       ASP  25  -3.547   5.889   3.337
  165    HB2  ASP  25           1HB      ASP  25  -5.421   4.475   4.233
  166    HB3  ASP  25           2HB      ASP  25  -4.666   3.075   3.460
  167    H    LEU  26           H        LEU  26  -3.684   3.575   0.675
  168    HA   LEU  26           HA       LEU  26  -0.973   2.616   0.852
  169    HB2  LEU  26           1HB      LEU  26  -2.609   1.458  -0.496
  170    HB3  LEU  26           2HB      LEU  26  -2.930   2.904  -1.453
  171    HG   LEU  26           HG       LEU  26  -0.699   2.827  -2.447
  172   HD11  LEU  26          1HD1      LEU  26   0.652   1.837  -0.681
  173   HD12  LEU  26          2HD1      LEU  26   0.733   0.796  -2.098
  174   HD13  LEU  26          3HD1      LEU  26  -0.309   0.362  -0.717
  175   HD21  LEU  26          3HD2      LEU  26  -2.156   0.155  -2.600
  176   HD22  LEU  26          1HD2      LEU  26  -1.000   0.808  -3.786
  177   HD23  LEU  26          2HD2      LEU  26  -2.549   1.618  -3.520
  178    H    GLN  27           H        GLN  27  -2.442   5.518  -0.698
  179    HA   GLN  27           HA       GLN  27  -0.062   6.547  -1.867
  180    HB2  GLN  27           1HB      GLN  27  -2.469   7.956  -0.652
  181    HB3  GLN  27           2HB      GLN  27  -1.170   8.815  -1.468
  182    HG2  GLN  27           1HG      GLN  27  -2.845   6.645  -2.794
  183    HG3  GLN  27           2HG      GLN  27  -3.186   8.366  -2.890
  184   HE21  GLN  27          1HE2      GLN  27  -2.952   7.242  -5.281
  185   HE22  GLN  27          2HE2      GLN  27  -1.381   7.587  -5.995
  186    H    ARG  28           H        ARG  28  -1.240   6.924   1.525
  187    HA   ARG  28           HA       ARG  28   0.998   8.518   2.411
  188    HB2  ARG  28           1HB      ARG  28  -0.667   6.616   4.117
  189    HB3  ARG  28           2HB      ARG  28   0.350   7.950   4.663
  190    HG2  ARG  28           1HG      ARG  28  -1.171   9.469   3.220
  191    HG3  ARG  28           2HG      ARG  28  -2.285   8.099   3.164
  192    HD2  ARG  28           1HD      ARG  28  -1.262   9.513   5.656
  193    HD3  ARG  28           2HD      ARG  28  -2.876   9.679   4.953
  194    HE   ARG  28           HE       ARG  28  -2.570   6.925   5.485
  195   HH11  ARG  28          2HH1      ARG  28  -2.628   9.831   7.469
  196   HH12  ARG  28          1HH1      ARG  28  -3.201   8.945   8.857
  197   HH21  ARG  28          2HH2      ARG  28  -3.271   5.925   7.173
  198   HH22  ARG  28          1HH2      ARG  28  -3.567   6.740   8.713
  199    H    HIS  29           H        HIS  29   0.492   4.989   2.454
  200    HA   HIS  29           HA       HIS  29   2.971   4.291   3.675
  201    HB2  HIS  29           1HB      HIS  29   1.087   2.749   3.408
  202    HB3  HIS  29           2HB      HIS  29   1.281   2.764   1.656
  203    HD1  HIS  29           1HD      HIS  29   3.011   1.372   4.797
  204    HD2  HIS  29           2HD      HIS  29   3.216   1.268   0.600
  205    HE1  HIS  29           1HE      HIS  29   4.653  -0.479   4.235
  206    H    ILE  30           H        ILE  30   2.238   4.865   0.203
  207    HA   ILE  30           HA       ILE  30   4.940   4.241  -0.668
  208    HB   ILE  30           HB       ILE  30   2.544   5.581  -1.960
  209   HG12  ILE  30          1HG1      ILE  30   3.990   2.958  -2.590
  210   HG13  ILE  30          2HG1      ILE  30   2.604   3.066  -1.504
  211   HG21  ILE  30          1HG2      ILE  30   3.876   5.474  -4.116
  212   HG22  ILE  30          2HG2      ILE  30   4.459   6.667  -2.960
  213   HG23  ILE  30          3HG2      ILE  30   5.306   5.112  -3.122
  214   HD11  ILE  30          3HD1      ILE  30   1.766   2.402  -3.640
  215   HD12  ILE  30          1HD1      ILE  30   1.273   4.099  -3.355
  216   HD13  ILE  30          2HD1      ILE  30   2.611   3.711  -4.468
  217    H    TRP  31           H        TRP  31   3.221   7.359  -0.249
  218    HA   TRP  31           HA       TRP  31   5.354   9.121  -0.716
  219    HB2  TRP  31           1HB      TRP  31   3.057   9.236   1.251
  220    HB3  TRP  31           2HB      TRP  31   4.148  10.585   1.000
  221    HD1  TRP  31           1HD      TRP  31   4.283  10.064  -2.270
  222    HE1  TRP  31           1HE      TRP  31   2.367  10.894  -3.686
  223    HE3  TRP  31           3HE      TRP  31   0.749  10.611   1.412
  224    HZ2  TRP  31           2HZ      TRP  31  -0.386  11.757  -3.305
  225    HZ3  TRP  31           3HZ      TRP  31  -1.518  11.459   0.846
  226    HH2  TRP  31           2HH      TRP  31  -2.096  12.035  -1.500
  227    H    ALA  32           H        ALA  32   4.809   7.124   2.155
  228    HA   ALA  32           HA       ALA  32   6.842   8.333   3.808
  229    HB1  ALA  32           1HB      ALA  32   5.599   5.550   3.885
  230    HB2  ALA  32           2HB      ALA  32   6.537   6.306   5.188
  231    HB3  ALA  32           3HB      ALA  32   4.976   6.999   4.708
  232    H    HIS  33           H        HIS  33   6.960   5.623   1.438
  233    HA   HIS  33           HA       HIS  33   9.754   4.970   1.935
  234    HB2  HIS  33           1HB      HIS  33   7.954   4.464  -0.468
  235    HB3  HIS  33           2HB      HIS  33   9.594   3.864  -0.293
  236    HD1  HIS  33           1HD      HIS  33   9.891   2.323   2.167
  237    HD2  HIS  33           2HD      HIS  33   6.230   2.638   0.136
  238    HE1  HIS  33           1HE      HIS  33   8.560   0.268   2.825
  239    H    GLU  34           H        GLU  34   8.070   7.279  -0.191
  240    HA   GLU  34           HA       GLU  34  10.513   8.316  -1.400
  241    HB2  GLU  34           1HB      GLU  34   7.706   9.479  -1.229
  242    HB3  GLU  34           2HB      GLU  34   9.039  10.167  -2.158
  243    HG2  GLU  34           1HG      GLU  34   9.219   8.008  -3.429
  244    HG3  GLU  34           2HG      GLU  34   7.754   7.449  -2.617
  245    H    GLY  35           H        GLY  35   9.625   8.468   1.787
  246    HA2  GLY  35           1HA      GLY  35  10.675   9.548   3.513
  247    HA3  GLY  35           2HA      GLY  35  11.576  10.534   2.361
  248    H    VAL  36           H        VAL  36   8.135  10.680   1.967
  249    HA   VAL  36           HA       VAL  36   8.082  13.496   2.794
  250    HB   VAL  36           HB       VAL  36   5.833  11.758   1.732
  251   HG11  VAL  36          1HG1      VAL  36   4.979  13.785   2.815
  252   HG12  VAL  36          2HG1      VAL  36   6.128  14.786   1.894
  253   HG13  VAL  36          3HG1      VAL  36   4.816  13.919   1.068
  254   HG21  VAL  36          3HG2      VAL  36   7.731  13.611   0.234
  255   HG22  VAL  36          1HG2      VAL  36   7.634  11.843   0.068
  256   HG23  VAL  36          2HG2      VAL  36   6.280  12.846  -0.454
  257    H    LYS  37           H        LYS  37   7.110  14.354   4.549
  258    HA   LYS  37           HA       LYS  37   5.398  12.783   6.351
  259    HB2  LYS  37           1HB      LYS  37   6.723  13.100   8.319
  260    HB3  LYS  37           2HB      LYS  37   7.732  12.346   7.100
  261    HG2  LYS  37           1HG      LYS  37   9.236  13.906   7.794
  262    HG3  LYS  37           2HG      LYS  37   8.432  14.894   6.588
  263    HD2  LYS  37           1HD      LYS  37   6.863  15.468   8.787
  264    HD3  LYS  37           2HD      LYS  37   8.361  15.009   9.590
  265    HE2  LYS  37           1HE      LYS  37   8.690  17.299   9.299
  266    HE3  LYS  37           2HE      LYS  37   9.507  16.634   7.879
  267    HZ1  LYS  37           3HZ      LYS  37   6.849  17.928   8.011
  268    HZ2  LYS  37           1HZ      LYS  37   7.217  16.982   6.749
  269    HZ3  LYS  37           2HZ      LYS  37   8.108  18.341   7.055
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  -5.901 -25.678   4.901
    2    H2   GLY   1           2H       GLY   1  -4.311 -26.022   4.711
    3    H3   GLY   1           3H       GLY   1  -5.134 -25.260   3.516
    4    HA2  GLY   1           1HA      GLY   1  -4.576 -24.140   6.186
    5    HA3  GLY   1           2HA      GLY   1  -3.725 -23.698   4.693
    6    H    SER   2           H        SER   2  -5.205 -21.936   6.462
    7    HA   SER   2           HA       SER   2  -7.728 -21.272   5.069
    8    HB2  SER   2           1HB      SER   2  -6.411 -20.032   7.507
    9    HB3  SER   2           2HB      SER   2  -8.009 -19.617   6.866
   10    HG   SER   2           HG       SER   2  -7.178 -22.157   7.876
   11    H    SER   3           H        SER   3  -4.482 -20.314   4.661
   12    HA   SER   3           HA       SER   3  -4.772 -17.539   4.075
   13    HB2  SER   3           1HB      SER   3  -2.713 -19.504   3.003
   14    HB3  SER   3           2HB      SER   3  -2.574 -17.735   3.025
   15    HG   SER   3           HG       SER   3  -1.493 -18.709   4.806
   16    H    GLY   4           H        GLY   4  -4.807 -16.399   2.107
   17    HA2  GLY   4           1HA      GLY   4  -6.485 -17.436   0.013
   18    HA3  GLY   4           2HA      GLY   4  -5.623 -15.899  -0.006
   19    H    SER   5           H        SER   5  -6.041 -18.025  -2.075
   20    HA   SER   5           HA       SER   5  -3.221 -18.782  -2.738
   21    HB2  SER   5           1HB      SER   5  -5.825 -20.055  -3.637
   22    HB3  SER   5           2HB      SER   5  -4.195 -20.578  -4.092
   23    HG   SER   5           HG       SER   5  -5.250 -20.493  -1.441
   24    H    SER   6           H        SER   6  -4.907 -16.222  -3.448
   25    HA   SER   6           HA       SER   6  -3.924 -15.977  -6.215
   26    HB2  SER   6           1HB      SER   6  -6.116 -15.136  -7.029
   27    HB3  SER   6           2HB      SER   6  -6.124 -16.851  -6.612
   28    HG   SER   6           HG       SER   6  -7.963 -15.643  -5.860
   29    H    GLY   7           H        GLY   7  -4.287 -13.705  -7.057
   30    HA2  GLY   7           1HA      GLY   7  -3.100 -11.819  -5.224
   31    HA3  GLY   7           2HA      GLY   7  -3.552 -11.531  -6.902
   32    H    ARG   8           H        ARG   8  -5.037 -11.984  -3.704
   33    HA   ARG   8           HA       ARG   8  -7.492 -10.552  -4.373
   34    HB2  ARG   8           1HB      ARG   8  -6.453 -11.730  -1.764
   35    HB3  ARG   8           2HB      ARG   8  -8.092 -11.103  -2.003
   36    HG2  ARG   8           1HG      ARG   8  -8.568 -12.779  -3.710
   37    HG3  ARG   8           2HG      ARG   8  -6.900 -13.345  -3.686
   38    HD2  ARG   8           1HD      ARG   8  -7.236 -13.949  -1.233
   39    HD3  ARG   8           2HD      ARG   8  -8.973 -13.671  -1.512
   40    HE   ARG   8           HE       ARG   8  -7.770 -15.386  -3.530
   41   HH11  ARG   8          2HH2      ARG   8  -9.104 -15.584  -0.291
   42   HH12  ARG   8          1HH2      ARG   8  -9.452 -17.285  -0.451
   43   HH21  ARG   8          1HH1      ARG   8  -8.287 -17.484  -3.693
   44   HH22  ARG   8          2HH1      ARG   8  -8.998 -18.342  -2.353
   45    H    ALA   9           H        ALA   9  -4.515  -9.391  -3.381
   46    HA   ALA   9           HA       ALA   9  -5.641  -6.707  -2.840
   47    HB1  ALA   9           1HB      ALA   9  -4.003  -6.374  -1.008
   48    HB2  ALA   9           2HB      ALA   9  -5.186  -7.638  -0.610
   49    HB3  ALA   9           3HB      ALA   9  -3.534  -8.079  -1.112
   50    H    MET  10           H        MET  10  -3.895  -5.029  -2.959
   51    HA   MET  10           HA       MET  10  -2.104  -5.521  -5.262
   52    HB2  MET  10           1HB      MET  10  -2.140  -3.271  -5.611
   53    HB3  MET  10           2HB      MET  10  -3.691  -3.483  -4.804
   54    HG2  MET  10           1HG      MET  10  -2.875  -1.616  -3.760
   55    HG3  MET  10           2HG      MET  10  -2.416  -2.871  -2.622
   56    HE1  MET  10           3HE      MET  10   0.962  -1.630  -1.823
   57    HE2  MET  10           1HE      MET  10  -0.723  -1.807  -1.324
   58    HE3  MET  10           2HE      MET  10   0.200  -3.228  -1.823
   59    H    LYS  11           H        LYS  11   0.203  -4.950  -5.128
   60    HA   LYS  11           HA       LYS  11   1.368  -5.201  -2.383
   61    HB2  LYS  11           1HB      LYS  11   1.632  -7.213  -3.898
   62    HB3  LYS  11           2HB      LYS  11   2.688  -6.220  -4.917
   63    HG2  LYS  11           1HG      LYS  11   4.205  -5.839  -2.995
   64    HG3  LYS  11           2HG      LYS  11   3.073  -6.692  -1.926
   65    HD2  LYS  11           1HD      LYS  11   3.409  -8.757  -3.350
   66    HD3  LYS  11           2HD      LYS  11   4.706  -7.896  -4.206
   67    HE2  LYS  11           1HE      LYS  11   5.994  -7.634  -2.199
   68    HE3  LYS  11           2HE      LYS  11   4.615  -8.056  -1.175
   69    HZ1  LYS  11           3HZ      LYS  11   4.737 -10.312  -1.953
   70    HZ2  LYS  11           1HZ      LYS  11   6.168  -9.856  -1.298
   71    HZ3  LYS  11           2HZ      LYS  11   6.019  -9.978  -2.935
   72    H    CYS  12           H        CYS  12   2.902  -3.837  -1.746
   73    HA   CYS  12           HA       CYS  12   2.964  -1.245  -2.708
   74    HB2  CYS  12           1HB      CYS  12   3.426  -1.923  -0.438
   75    HB3  CYS  12           2HB      CYS  12   4.860  -2.818  -0.935
   76    HA   PRO  13           HA       PRO  13   5.952  -1.335  -6.007
   77    HB2  PRO  13           1HB      PRO  13   6.344   1.379  -6.371
   78    HB3  PRO  13           2HB      PRO  13   4.942   0.442  -6.958
   79    HG2  PRO  13           1HG      PRO  13   5.127   2.212  -4.537
   80    HG3  PRO  13           2HG      PRO  13   3.748   1.960  -5.644
   81    HD2  PRO  13           1HD      PRO  13   3.970   0.794  -3.180
   82    HD3  PRO  13           2HD      PRO  13   3.026   0.109  -4.537
   83    H    TYR  14           H        TYR  14   6.720  -0.513  -2.811
   84    HA   TYR  14           HA       TYR  14   9.654  -0.338  -3.452
   85    HB2  TYR  14           1HB      TYR  14   8.100   1.041  -1.259
   86    HB3  TYR  14           2HB      TYR  14   9.851   1.027  -1.377
   87    HD1  TYR  14           1HD      TYR  14   6.736   2.268  -2.927
   88    HD2  TYR  14           2HD      TYR  14  11.039   2.457  -2.920
   89    HE1  TYR  14           1HE      TYR  14   6.663   4.253  -4.469
   90    HE2  TYR  14           2HE      TYR  14  10.963   4.469  -4.389
   91    HH   TYR  14           HH       TYR  14   9.634   5.889  -5.601
   92    H    CYS  15           H        CYS  15   7.231  -1.864  -1.344
   93    HA   CYS  15           HA       CYS  15   9.386  -3.593  -0.245
   94    HB2  CYS  15           1HB      CYS  15   8.835  -3.265   1.993
   95    HB3  CYS  15           2HB      CYS  15   8.979  -1.664   1.299
   96    H    ASP  16           H        ASP  16   8.057  -5.110   1.497
   97    HA   ASP  16           HA       ASP  16   6.762  -6.975  -0.335
   98    HB2  ASP  16           1HB      ASP  16   8.617  -7.546   1.261
   99    HB3  ASP  16           2HB      ASP  16   7.484  -7.310   2.592
  100    H    PHE  17           H        PHE  17   5.451  -4.520   1.528
  101    HA   PHE  17           HA       PHE  17   3.300  -6.014   2.778
  102    HB2  PHE  17           1HB      PHE  17   4.576  -3.905   3.599
  103    HB3  PHE  17           2HB      PHE  17   3.436  -3.009   2.607
  104    HD1  PHE  17           1HD      PHE  17   3.844  -5.270   5.532
  105    HD2  PHE  17           2HD      PHE  17   1.092  -2.796   3.326
  106    HE1  PHE  17           1HE      PHE  17   2.220  -5.398   7.410
  107    HE2  PHE  17           2HE      PHE  17  -0.524  -2.913   5.201
  108    HZ   PHE  17           HZ       PHE  17   0.034  -4.218   7.248
  109    H    TYR  18           H        TYR  18   1.040  -5.657   2.564
  110    HA   TYR  18           HA       TYR  18   0.133  -5.038  -0.207
  111    HB2  TYR  18           1HB      TYR  18  -0.928  -7.075   1.780
  112    HB3  TYR  18           2HB      TYR  18  -1.642  -6.724   0.219
  113    HD1  TYR  18           2HD      TYR  18   1.399  -8.107   1.886
  114    HD2  TYR  18           1HD      TYR  18  -0.813  -7.716  -1.796
  115    HE1  TYR  18           2HE      TYR  18   2.880  -9.771   0.821
  116    HE2  TYR  18           1HE      TYR  18   0.657  -9.390  -2.863
  117    HH   TYR  18           HH       TYR  18   2.355 -10.923  -2.545
  118    H    PHE  19           H        PHE  19  -1.870  -4.096  -0.575
  119    HA   PHE  19           HA       PHE  19  -3.545  -3.235   1.718
  120    HB2  PHE  19           1HB      PHE  19  -2.486  -1.283  -0.360
  121    HB3  PHE  19           2HB      PHE  19  -3.871  -0.972   0.634
  122    HD1  PHE  19           1HD      PHE  19  -0.169  -1.551   0.837
  123    HD2  PHE  19           2HD      PHE  19  -3.725  -0.157   2.844
  124    HE1  PHE  19           1HE      PHE  19   1.229  -0.466   2.566
  125    HE2  PHE  19           2HE      PHE  19  -2.315   0.881   4.599
  126    HZ   PHE  19           HZ       PHE  19   0.161   0.751   4.455
  127    H    MET  20           H        MET  20  -5.695  -2.579   1.122
  128    HA   MET  20           HA       MET  20  -6.790  -4.063  -1.164
  129    HB2  MET  20           1HB      MET  20  -8.167  -2.328   0.926
  130    HB3  MET  20           2HB      MET  20  -8.980  -3.325  -0.278
  131    HG2  MET  20           1HG      MET  20  -7.234  -4.275   2.014
  132    HG3  MET  20           2HG      MET  20  -8.969  -4.482   1.842
  133    HE1  MET  20           3HE      MET  20 -10.125  -6.145   0.108
  134    HE2  MET  20           1HE      MET  20  -9.241  -5.476  -1.285
  135    HE3  MET  20           2HE      MET  20  -9.231  -7.222  -0.983
  136    H    LYS  21           H        LYS  21  -8.311  -3.092  -2.648
  137    HA   LYS  21           HA       LYS  21  -7.004  -1.217  -4.259
  138    HB2  LYS  21           1HB      LYS  21  -8.884  -1.441  -5.764
  139    HB3  LYS  21           2HB      LYS  21  -8.478  -3.005  -5.065
  140    HG2  LYS  21           1HG      LYS  21 -10.384  -2.768  -3.453
  141    HG3  LYS  21           2HG      LYS  21 -10.792  -1.207  -4.188
  142    HD2  LYS  21           1HD      LYS  21 -11.157  -2.340  -6.371
  143    HD3  LYS  21           2HD      LYS  21 -10.762  -3.903  -5.611
  144    HE2  LYS  21           1HE      LYS  21 -12.653  -3.623  -4.038
  145    HE3  LYS  21           2HE      LYS  21 -13.045  -2.059  -4.764
  146    HZ1  LYS  21           3HZ      LYS  21 -13.503  -3.217  -6.860
  147    HZ2  LYS  21           1HZ      LYS  21 -14.435  -3.830  -5.672
  148    HZ3  LYS  21           2HZ      LYS  21 -13.134  -4.665  -6.195
  149    H    ASN  22           H        ASN  22  -9.035  -0.342  -1.662
  150    HA   ASN  22           HA       ASN  22 -10.086   2.154  -2.622
  151    HB2  ASN  22           1HB      ASN  22  -9.355   1.236   0.204
  152    HB3  ASN  22           2HB      ASN  22 -10.325   2.654  -0.185
  153   HD21  ASN  22          1HD2      ASN  22 -12.475   2.333  -1.138
  154   HD22  ASN  22          2HD2      ASN  22 -13.265   0.776  -0.941
  155    H    GLY  23           H        GLY  23  -6.924   1.290  -1.257
  156    HA2  GLY  23           1HA      GLY  23  -4.905   2.293  -1.443
  157    HA3  GLY  23           2HA      GLY  23  -5.620   3.403  -2.607
  158    H    SER  24           H        SER  24  -7.305   3.985   0.231
  159    HA   SER  24           HA       SER  24  -6.407   6.582   0.427
  160    HB2  SER  24           1HB      SER  24  -7.674   5.009   2.701
  161    HB3  SER  24           2HB      SER  24  -7.731   6.763   2.447
  162    HG   SER  24           HG       SER  24  -9.641   5.741   1.705
  163    H    ASP  25           H        ASP  25  -5.309   3.889   2.524
  164    HA   ASP  25           HA       ASP  25  -3.327   5.681   3.824
  165    HB2  ASP  25           1HB      ASP  25  -4.792   4.070   5.112
  166    HB3  ASP  25           2HB      ASP  25  -3.866   2.755   4.387
  167    H    LEU  26           H        LEU  26  -3.450   3.353   1.244
  168    HA   LEU  26           HA       LEU  26  -0.692   2.574   1.144
  169    HB2  LEU  26           1HB      LEU  26  -2.402   1.397  -0.129
  170    HB3  LEU  26           2HB      LEU  26  -2.812   2.871  -1.006
  171    HG   LEU  26           HG       LEU  26  -0.618   2.901  -2.109
  172   HD11  LEU  26          1HD1      LEU  26   0.826   0.860  -1.979
  173   HD12  LEU  26          2HD1      LEU  26  -0.172   0.287  -0.629
  174   HD13  LEU  26          3HD1      LEU  26   0.790   1.760  -0.457
  175   HD21  LEU  26          3HD2      LEU  26  -2.521   1.793  -3.166
  176   HD22  LEU  26          1HD2      LEU  26  -2.098   0.267  -2.358
  177   HD23  LEU  26          2HD2      LEU  26  -0.999   0.984  -3.563
  178    H    GLN  27           H        GLN  27  -2.452   5.399  -0.234
  179    HA   GLN  27           HA       GLN  27  -0.297   6.580  -1.650
  180    HB2  GLN  27           1HB      GLN  27  -2.650   7.805  -0.149
  181    HB3  GLN  27           2HB      GLN  27  -1.501   8.762  -1.094
  182    HG2  GLN  27           1HG      GLN  27  -2.047   7.508  -3.129
  183    HG3  GLN  27           2HG      GLN  27  -3.157   6.471  -2.235
  184   HE21  GLN  27          1HE2      GLN  27  -2.599   9.915  -3.173
  185   HE22  GLN  27          2HE2      GLN  27  -4.309  10.327  -3.140
  186    H    ARG  28           H        ARG  28  -1.136   6.903   1.811
  187    HA   ARG  28           HA       ARG  28   1.057   8.656   2.517
  188    HB2  ARG  28           1HB      ARG  28  -0.525   6.762   4.315
  189    HB3  ARG  28           2HB      ARG  28   0.460   8.139   4.821
  190    HG2  ARG  28           1HG      ARG  28  -1.053   9.641   3.490
  191    HG3  ARG  28           2HG      ARG  28  -2.102   8.252   3.162
  192    HD2  ARG  28           1HD      ARG  28  -2.422   7.907   5.593
  193    HD3  ARG  28           2HD      ARG  28  -1.433   9.324   5.938
  194    HE   ARG  28           HE       ARG  28  -4.189   9.244   4.887
  195   HH11  ARG  28          2HH1      ARG  28  -1.442  11.362   5.422
  196   HH12  ARG  28          1HH1      ARG  28  -2.421  12.799   5.312
  197   HH21  ARG  28          2HH2      ARG  28  -5.368  11.115   4.768
  198   HH22  ARG  28          1HH2      ARG  28  -4.581  12.656   4.952
  199    H    HIS  29           H        HIS  29   0.648   5.145   2.732
  200    HA   HIS  29           HA       HIS  29   3.185   4.482   3.826
  201    HB2  HIS  29           1HB      HIS  29   1.281   2.949   3.684
  202    HB3  HIS  29           2HB      HIS  29   1.371   2.947   1.926
  203    HD1  HIS  29           1HD      HIS  29   3.113   1.423   4.959
  204    HD2  HIS  29           2HD      HIS  29   3.282   1.483   0.758
  205    HE1  HIS  29           1HE      HIS  29   4.648  -0.489   4.304
  206    H    ILE  30           H        ILE  30   2.281   4.987   0.383
  207    HA   ILE  30           HA       ILE  30   4.949   4.385  -0.612
  208    HB   ILE  30           HB       ILE  30   2.483   5.684  -1.820
  209   HG12  ILE  30          1HG1      ILE  30   3.910   3.050  -2.451
  210   HG13  ILE  30          2HG1      ILE  30   2.547   3.181  -1.341
  211   HG21  ILE  30          1HG2      ILE  30   4.378   6.748  -2.909
  212   HG22  ILE  30          2HG2      ILE  30   5.185   5.172  -3.109
  213   HG23  ILE  30          3HG2      ILE  30   3.712   5.564  -4.025
  214   HD11  ILE  30          3HD1      ILE  30   2.502   3.779  -4.317
  215   HD12  ILE  30          1HD1      ILE  30   1.663   2.491  -3.456
  216   HD13  ILE  30          2HD1      ILE  30   1.185   4.195  -3.189
  217    H    TRP  31           H        TRP  31   3.187   7.483  -0.152
  218    HA   TRP  31           HA       TRP  31   5.290   9.252  -0.737
  219    HB2  TRP  31           1HB      TRP  31   3.060   9.385   1.296
  220    HB3  TRP  31           2HB      TRP  31   4.140  10.736   1.004
  221    HD1  TRP  31           1HD      TRP  31   4.200  10.233  -2.254
  222    HE1  TRP  31           1HE      TRP  31   2.238  11.019  -3.633
  223    HE3  TRP  31           3HE      TRP  31   0.720  10.680   1.492
  224    HZ2  TRP  31           2HZ      TRP  31  -0.530  11.796  -3.202
  225    HZ3  TRP  31           3HZ      TRP  31  -1.580  11.458   0.968
  226    HH2  TRP  31           2HH      TRP  31  -2.217  12.020  -1.366
  227    H    ALA  32           H        ALA  32   4.895   7.274   2.168
  228    HA   ALA  32           HA       ALA  32   7.031   8.512   3.673
  229    HB1  ALA  32           1HB      ALA  32   5.210   7.218   4.724
  230    HB2  ALA  32           2HB      ALA  32   5.771   5.744   3.902
  231    HB3  ALA  32           3HB      ALA  32   6.795   6.526   5.125
  232    H    HIS  33           H        HIS  33   6.961   5.676   1.435
  233    HA   HIS  33           HA       HIS  33   9.773   5.033   1.708
  234    HB2  HIS  33           1HB      HIS  33   7.794   4.517  -0.545
  235    HB3  HIS  33           2HB      HIS  33   9.441   3.918  -0.505
  236    HD1  HIS  33           1HD      HIS  33   9.920   2.421   1.983
  237    HD2  HIS  33           2HD      HIS  33   6.159   2.647   0.137
  238    HE1  HIS  33           1HE      HIS  33   8.663   0.351   2.731
  239    H    GLU  34           H        GLU  34   7.964   7.285  -0.394
  240    HA   GLU  34           HA       GLU  34  10.306   8.222  -1.842
  241    HB2  GLU  34           1HB      GLU  34   7.517   9.385  -1.485
  242    HB3  GLU  34           2HB      GLU  34   8.763  10.086  -2.522
  243    HG2  GLU  34           1HG      GLU  34   8.910   7.900  -3.753
  244    HG3  GLU  34           2HG      GLU  34   7.502   7.338  -2.844
  245    H    GLY  35           H        GLY  35   9.535   8.690   1.408
  246    HA2  GLY  35           1HA      GLY  35  10.601   9.937   3.007
  247    HA3  GLY  35           2HA      GLY  35  11.641  10.629   1.761
  248    H    VAL  36           H        VAL  36   8.136  10.972   1.530
  249    HA   VAL  36           HA       VAL  36   8.274  13.861   1.443
  250    HB   VAL  36           HB       VAL  36   5.868  12.017   1.657
  251   HG11  VAL  36          1HG1      VAL  36   4.602  13.891   0.635
  252   HG12  VAL  36          2HG1      VAL  36   5.201  14.294   2.241
  253   HG13  VAL  36          3HG1      VAL  36   6.030  14.937   0.801
  254   HG21  VAL  36          3HG2      VAL  36   7.167  13.286  -0.796
  255   HG22  VAL  36          1HG2      VAL  36   7.208  11.561  -0.379
  256   HG23  VAL  36          2HG2      VAL  36   5.671  12.324  -0.786
  257    H    LYS  37           H        LYS  37   7.754  15.376   2.927
  258    HA   LYS  37           HA       LYS  37   6.883  14.629   5.680
  259    HB2  LYS  37           1HB      LYS  37   9.257  16.404   4.968
  260    HB3  LYS  37           2HB      LYS  37   8.534  16.268   6.574
  261    HG2  LYS  37           1HG      LYS  37   9.075  13.843   6.628
  262    HG3  LYS  37           2HG      LYS  37   9.844  13.983   5.035
  263    HD2  LYS  37           1HD      LYS  37  11.455  15.633   5.957
  264    HD3  LYS  37           2HD      LYS  37  10.705  15.459   7.561
  265    HE2  LYS  37           1HE      LYS  37  11.252  13.034   7.547
  266    HE3  LYS  37           2HE      LYS  37  11.993  13.206   5.950
  267    HZ1  LYS  37           3HZ      LYS  37  13.625  14.722   6.943
  268    HZ2  LYS  37           1HZ      LYS  37  13.662  13.284   7.711
  269    HZ3  LYS  37           2HZ      LYS  37  12.941  14.564   8.419
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1   1.541 -23.259  -8.139
    2    H2   GLY   1           2H       GLY   1   2.102 -22.861  -6.649
    3    H3   GLY   1           3H       GLY   1   1.785 -21.686  -7.744
    4    HA2  GLY   1           1HA      GLY   1  -0.566 -22.185  -7.704
    5    HA3  GLY   1           2HA      GLY   1  -0.228 -23.470  -6.531
    6    H    SER   2           H        SER   2  -2.057 -21.499  -5.933
    7    HA   SER   2           HA       SER   2  -0.897 -19.365  -4.327
    8    HB2  SER   2           1HB      SER   2  -3.269 -18.965  -3.679
    9    HB3  SER   2           2HB      SER   2  -2.978 -18.957  -5.424
   10    HG   SER   2           HG       SER   2  -4.839 -20.177  -4.887
   11    H    SER   3           H        SER   3  -1.316 -19.058  -2.048
   12    HA   SER   3           HA       SER   3  -1.859 -21.405  -0.361
   13    HB2  SER   3           1HB      SER   3   0.601 -21.498  -0.875
   14    HB3  SER   3           2HB      SER   3   0.779 -19.910  -0.109
   15    HG   SER   3           HG       SER   3   1.190 -21.680   1.334
   16    H    GLY   4           H        GLY   4  -2.281 -20.853   1.823
   17    HA2  GLY   4           1HA      GLY   4  -3.005 -19.584   3.603
   18    HA3  GLY   4           2HA      GLY   4  -2.294 -18.159   2.851
   19    H    SER   5           H        SER   5  -3.793 -18.033   0.467
   20    HA   SER   5           HA       SER   5  -6.676 -18.136   1.062
   21    HB2  SER   5           1HB      SER   5  -5.975 -15.946   1.989
   22    HB3  SER   5           2HB      SER   5  -5.281 -15.504   0.417
   23    HG   SER   5           HG       SER   5  -7.481 -14.739   0.859
   24    H    SER   6           H        SER   6  -7.980 -17.986  -0.779
   25    HA   SER   6           HA       SER   6  -6.711 -18.391  -3.424
   26    HB2  SER   6           1HB      SER   6  -9.024 -18.884  -4.150
   27    HB3  SER   6           2HB      SER   6  -8.482 -19.916  -2.816
   28    HG   SER   6           HG       SER   6 -10.608 -19.094  -2.474
   29    H    GLY   7           H        GLY   7  -7.823 -15.759  -1.584
   30    HA2  GLY   7           1HA      GLY   7  -8.900 -14.077  -3.707
   31    HA3  GLY   7           2HA      GLY   7  -8.474 -13.593  -2.069
   32    H    ARG   8           H        ARG   8  -7.923 -11.760  -3.738
   33    HA   ARG   8           HA       ARG   8  -4.966 -11.760  -4.183
   34    HB2  ARG   8           1HB      ARG   8  -7.074 -10.702  -6.117
   35    HB3  ARG   8           2HB      ARG   8  -5.335 -10.418  -6.254
   36    HG2  ARG   8           1HG      ARG   8  -4.955 -12.885  -6.410
   37    HG3  ARG   8           2HG      ARG   8  -6.705 -13.143  -6.416
   38    HD2  ARG   8           1HD      ARG   8  -5.164 -11.488  -8.457
   39    HD3  ARG   8           2HD      ARG   8  -5.677 -13.169  -8.687
   40    HE   ARG   8           HE       ARG   8  -8.013 -11.785  -8.029
   41   HH11  ARG   8          2HH1      ARG   8  -5.711 -11.615 -10.665
   42   HH12  ARG   8          1HH1      ARG   8  -6.899 -11.007 -11.785
   43   HH21  ARG   8          2HH2      ARG   8  -9.476 -10.999  -9.507
   44   HH22  ARG   8          1HH2      ARG   8  -8.974 -10.676 -11.140
   45    H    ALA   9           H        ALA   9  -3.987  -9.709  -4.189
   46    HA   ALA   9           HA       ALA   9  -5.451  -7.347  -3.210
   47    HB1  ALA   9           1HB      ALA   9  -4.795  -8.513  -1.126
   48    HB2  ALA   9           2HB      ALA   9  -3.107  -8.592  -1.695
   49    HB3  ALA   9           3HB      ALA   9  -3.855  -7.024  -1.345
   50    H    MET  10           H        MET  10  -3.898  -5.434  -3.085
   51    HA   MET  10           HA       MET  10  -2.068  -5.415  -5.411
   52    HB2  MET  10           1HB      MET  10  -2.333  -3.173  -5.472
   53    HB3  MET  10           2HB      MET  10  -3.824  -3.581  -4.632
   54    HG2  MET  10           1HG      MET  10  -3.054  -1.799  -3.401
   55    HG3  MET  10           2HG      MET  10  -2.476  -3.158  -2.450
   56    HE1  MET  10           3HE      MET  10   0.869  -1.751  -1.662
   57    HE2  MET  10           1HE      MET  10  -0.795  -1.893  -1.102
   58    HE3  MET  10           2HE      MET  10   0.075  -3.336  -1.665
   59    H    LYS  11           H        LYS  11   0.180  -4.944  -5.203
   60    HA   LYS  11           HA       LYS  11   1.349  -5.264  -2.464
   61    HB2  LYS  11           1HB      LYS  11   1.730  -7.192  -4.070
   62    HB3  LYS  11           2HB      LYS  11   2.721  -6.093  -5.044
   63    HG2  LYS  11           1HG      LYS  11   4.207  -5.693  -3.097
   64    HG3  LYS  11           2HG      LYS  11   3.148  -6.684  -2.078
   65    HD2  LYS  11           1HD      LYS  11   3.662  -8.652  -3.586
   66    HD3  LYS  11           2HD      LYS  11   4.859  -7.632  -4.421
   67    HE2  LYS  11           1HE      LYS  11   6.073  -7.261  -2.337
   68    HE3  LYS  11           2HE      LYS  11   4.795  -8.053  -1.403
   69    HZ1  LYS  11           3HZ      LYS  11   5.339 -10.132  -2.539
   70    HZ2  LYS  11           1HZ      LYS  11   6.599  -9.544  -1.672
   71    HZ3  LYS  11           2HZ      LYS  11   6.599  -9.416  -3.317
   72    H    CYS  12           H        CYS  12   2.824  -3.854  -1.778
   73    HA   CYS  12           HA       CYS  12   2.795  -1.234  -2.678
   74    HB2  CYS  12           1HB      CYS  12   3.315  -1.934  -0.426
   75    HB3  CYS  12           2HB      CYS  12   4.773  -2.772  -0.970
   76    HA   PRO  13           HA       PRO  13   5.712  -1.231  -6.040
   77    HB2  PRO  13           1HB      PRO  13   6.036   1.508  -6.365
   78    HB3  PRO  13           2HB      PRO  13   4.664   0.533  -6.962
   79    HG2  PRO  13           1HG      PRO  13   4.799   2.264  -4.506
   80    HG3  PRO  13           2HG      PRO  13   3.428   2.000  -5.621
   81    HD2  PRO  13           1HD      PRO  13   3.628   0.775  -3.193
   82    HD3  PRO  13           2HD      PRO  13   2.783   0.065  -4.595
   83    H    TYR  14           H        TYR  14   6.546  -0.412  -2.866
   84    HA   TYR  14           HA       TYR  14   9.461  -0.179  -3.575
   85    HB2  TYR  14           1HB      TYR  14   7.912   1.182  -1.369
   86    HB3  TYR  14           2HB      TYR  14   9.661   1.201  -1.500
   87    HD1  TYR  14           1HD      TYR  14   6.510   2.346  -3.062
   88    HD2  TYR  14           2HD      TYR  14  10.804   2.675  -3.034
   89    HE1  TYR  14           1HE      TYR  14   6.374   4.291  -4.638
   90    HE2  TYR  14           2HE      TYR  14  10.663   4.669  -4.532
   91    HH   TYR  14           HH       TYR  14   7.540   5.862  -5.820
   92    H    CYS  15           H        CYS  15   7.102  -1.749  -1.425
   93    HA   CYS  15           HA       CYS  15   9.310  -3.432  -0.360
   94    HB2  CYS  15           1HB      CYS  15   8.799  -3.109   1.888
   95    HB3  CYS  15           2HB      CYS  15   8.899  -1.506   1.186
   96    H    ASP  16           H        ASP  16   7.998  -4.943   1.443
   97    HA   ASP  16           HA       ASP  16   6.751  -6.837  -0.400
   98    HB2  ASP  16           1HB      ASP  16   8.657  -7.351   1.176
   99    HB3  ASP  16           2HB      ASP  16   7.502  -7.245   2.505
  100    H    PHE  17           H        PHE  17   5.404  -4.480   1.588
  101    HA   PHE  17           HA       PHE  17   3.265  -6.019   2.791
  102    HB2  PHE  17           1HB      PHE  17   3.886  -3.073   2.579
  103    HB3  PHE  17           2HB      PHE  17   2.339  -3.617   3.185
  104    HD1  PHE  17           2HD      PHE  17   6.031  -3.951   3.817
  105    HD2  PHE  17           1HD      PHE  17   2.041  -4.346   5.410
  106    HE1  PHE  17           2HE      PHE  17   6.970  -4.300   6.085
  107    HE2  PHE  17           1HE      PHE  17   2.986  -4.696   7.679
  108    HZ   PHE  17           HZ       PHE  17   5.450  -4.676   8.020
  109    H    TYR  18           H        TYR  18   1.071  -5.923   2.480
  110    HA   TYR  18           HA       TYR  18   0.131  -5.327  -0.282
  111    HB2  TYR  18           1HB      TYR  18  -0.860  -7.428   1.674
  112    HB3  TYR  18           2HB      TYR  18  -1.512  -7.128   0.071
  113    HD1  TYR  18           2HD      TYR  18  -0.264  -7.740  -1.961
  114    HD2  TYR  18           1HD      TYR  18   1.270  -8.605   1.976
  115    HE1  TYR  18           2HE      TYR  18   1.407  -9.260  -2.954
  116    HE2  TYR  18           1HE      TYR  18   2.950 -10.128   0.988
  117    HH   TYR  18           HH       TYR  18   3.716 -11.138  -0.915
  118    H    PHE  19           H        PHE  19  -1.914  -4.513  -0.616
  119    HA   PHE  19           HA       PHE  19  -3.614  -3.767   1.715
  120    HB2  PHE  19           1HB      PHE  19  -2.829  -1.862  -0.522
  121    HB3  PHE  19           2HB      PHE  19  -4.261  -1.667   0.435
  122    HD1  PHE  19           1HD      PHE  19  -0.527  -2.110   1.069
  123    HD2  PHE  19           2HD      PHE  19  -4.223  -0.168   2.170
  124    HE1  PHE  19           1HE      PHE  19   0.697  -0.685   2.672
  125    HE2  PHE  19           2HE      PHE  19  -2.984   1.252   3.773
  126    HZ   PHE  19           HZ       PHE  19  -0.525   1.007   4.026
  127    H    MET  20           H        MET  20  -5.809  -3.930   1.331
  128    HA   MET  20           HA       MET  20  -6.663  -5.050  -1.297
  129    HB2  MET  20           1HB      MET  20  -7.284  -6.359   0.671
  130    HB3  MET  20           2HB      MET  20  -8.120  -4.953   1.358
  131    HG2  MET  20           1HG      MET  20  -9.659  -6.576   0.321
  132    HG3  MET  20           2HG      MET  20  -9.763  -4.978  -0.403
  133    HE1  MET  20           3HE      MET  20 -10.652  -7.407  -3.366
  134    HE2  MET  20           1HE      MET  20 -11.046  -7.622  -1.645
  135    HE3  MET  20           2HE      MET  20 -11.184  -6.014  -2.398
  136    H    LYS  21           H        LYS  21  -7.817  -3.913  -2.646
  137    HA   LYS  21           HA       LYS  21  -8.582  -2.152  -3.792
  138    HB2  LYS  21           1HB      LYS  21  -9.939  -1.325  -1.200
  139    HB3  LYS  21           2HB      LYS  21 -10.291  -0.666  -2.795
  140    HG2  LYS  21           1HG      LYS  21 -10.965  -2.911  -3.603
  141    HG3  LYS  21           2HG      LYS  21 -10.660  -3.581  -1.989
  142    HD2  LYS  21           1HD      LYS  21 -12.356  -2.047  -1.024
  143    HD3  LYS  21           2HD      LYS  21 -12.679  -1.393  -2.645
  144    HE2  LYS  21           1HE      LYS  21 -13.340  -3.664  -3.420
  145    HE3  LYS  21           2HE      LYS  21 -13.024  -4.309  -1.803
  146    HZ1  LYS  21           3HZ      LYS  21 -15.382  -3.818  -2.112
  147    HZ2  LYS  21           1HZ      LYS  21 -15.072  -2.251  -2.443
  148    HZ3  LYS  21           2HZ      LYS  21 -14.779  -2.846  -0.949
  149    H    ASN  22           H        ASN  22  -8.718   0.321  -3.954
  150    HA   ASN  22           HA       ASN  22  -6.115   1.479  -3.206
  151    HB2  ASN  22           1HB      ASN  22  -6.718   3.278  -4.699
  152    HB3  ASN  22           2HB      ASN  22  -7.029   1.747  -5.500
  153   HD21  ASN  22          1HD2      ASN  22  -8.425   4.767  -4.577
  154   HD22  ASN  22          2HD2      ASN  22 -10.076   4.350  -5.003
  155    H    GLY  23           H        GLY  23  -5.893   3.508  -2.069
  156    HA2  GLY  23           1HA      GLY  23  -7.980   4.991  -0.892
  157    HA3  GLY  23           2HA      GLY  23  -7.485   3.787   0.298
  158    H    SER  24           H        SER  24  -7.285   6.509   0.780
  159    HA   SER  24           HA       SER  24  -4.845   7.749   0.139
  160    HB2  SER  24           1HB      SER  24  -6.524   8.151   2.642
  161    HB3  SER  24           2HB      SER  24  -5.358   9.297   1.950
  162    HG   SER  24           HG       SER  24  -7.523   9.776   1.329
  163    H    ASP  25           H        ASP  25  -5.437   5.337   2.666
  164    HA   ASP  25           HA       ASP  25  -3.023   5.920   4.145
  165    HB2  ASP  25           1HB      ASP  25  -5.080   4.740   5.015
  166    HB3  ASP  25           2HB      ASP  25  -4.576   3.315   4.099
  167    H    LEU  26           H        LEU  26  -3.670   3.937   1.275
  168    HA   LEU  26           HA       LEU  26  -1.015   2.705   1.253
  169    HB2  LEU  26           1HB      LEU  26  -2.809   1.595   0.056
  170    HB3  LEU  26           2HB      LEU  26  -3.134   3.044  -0.899
  171    HG   LEU  26           HG       LEU  26  -0.931   2.866  -1.997
  172   HD11  LEU  26          1HD1      LEU  26   0.418   0.789  -1.745
  173   HD12  LEU  26          2HD1      LEU  26  -0.615   0.309  -0.382
  174   HD13  LEU  26          3HD1      LEU  26   0.411   1.748  -0.265
  175   HD21  LEU  26          3HD2      LEU  26  -2.881   1.755  -2.995
  176   HD22  LEU  26          1HD2      LEU  26  -2.488   0.264  -2.104
  177   HD23  LEU  26          2HD2      LEU  26  -1.368   0.899  -3.337
  178    H    GLN  27           H        GLN  27  -2.543   5.629  -0.180
  179    HA   GLN  27           HA       GLN  27  -0.220   6.494  -1.622
  180    HB2  GLN  27           1HB      GLN  27  -2.398   8.215  -0.372
  181    HB3  GLN  27           2HB      GLN  27  -1.231   8.737  -1.579
  182    HG2  GLN  27           1HG      GLN  27  -3.356   6.592  -2.013
  183    HG3  GLN  27           2HG      GLN  27  -3.473   8.264  -2.528
  184   HE21  GLN  27          1HE2      GLN  27  -3.811   6.335  -4.444
  185   HE22  GLN  27          2HE2      GLN  27  -2.400   6.312  -5.493
  186    H    ARG  28           H        ARG  28  -1.258   7.235   1.756
  187    HA   ARG  28           HA       ARG  28   1.027   8.692   2.584
  188    HB2  ARG  28           1HB      ARG  28  -1.176   8.389   3.757
  189    HB3  ARG  28           2HB      ARG  28  -0.695   6.741   4.162
  190    HG2  ARG  28           1HG      ARG  28   1.271   7.692   5.447
  191    HG3  ARG  28           2HG      ARG  28   0.673   9.315   5.051
  192    HD2  ARG  28           1HD      ARG  28  -0.200   8.837   7.222
  193    HD3  ARG  28           2HD      ARG  28  -1.542   8.647   6.089
  194    HE   ARG  28           HE       ARG  28  -1.630   6.344   6.535
  195   HH11  ARG  28          2HH2      ARG  28   1.304   7.533   8.082
  196   HH12  ARG  28          1HH2      ARG  28   1.542   6.015   8.906
  197   HH21  ARG  28          2HH1      ARG  28  -1.290   4.582   7.520
  198   HH22  ARG  28          1HH1      ARG  28   0.081   4.329   8.608
  199    H    HIS  29           H        HIS  29   0.511   5.128   2.716
  200    HA   HIS  29           HA       HIS  29   3.035   4.450   3.823
  201    HB2  HIS  29           1HB      HIS  29   1.139   2.920   3.711
  202    HB3  HIS  29           2HB      HIS  29   1.182   2.922   1.952
  203    HD1  HIS  29           1HD      HIS  29   2.958   1.347   4.932
  204    HD2  HIS  29           2HD      HIS  29   3.114   1.499   0.733
  205    HE1  HIS  29           1HE      HIS  29   4.533  -0.519   4.232
  206    H    ILE  30           H        ILE  30   2.145   4.998   0.394
  207    HA   ILE  30           HA       ILE  30   4.775   4.304  -0.626
  208    HB   ILE  30           HB       ILE  30   2.341   5.685  -1.796
  209   HG12  ILE  30          1HG1      ILE  30   3.660   3.003  -2.442
  210   HG13  ILE  30          2HG1      ILE  30   2.338   3.179  -1.293
  211   HG21  ILE  30          1HG2      ILE  30   3.537   5.501  -4.022
  212   HG22  ILE  30          2HG2      ILE  30   4.231   6.689  -2.926
  213   HG23  ILE  30          3HG2      ILE  30   5.012   5.103  -3.110
  214   HD11  ILE  30          3HD1      ILE  30   1.366   2.505  -3.363
  215   HD12  ILE  30          1HD1      ILE  30   0.946   4.221  -3.096
  216   HD13  ILE  30          2HD1      ILE  30   2.215   3.767  -4.265
  217    H    TRP  31           H        TRP  31   3.141   7.455  -0.151
  218    HA   TRP  31           HA       TRP  31   5.291   9.158  -0.768
  219    HB2  TRP  31           1HB      TRP  31   3.057   9.392   1.261
  220    HB3  TRP  31           2HB      TRP  31   4.168  10.708   0.924
  221    HD1  TRP  31           1HD      TRP  31   4.257  10.205  -2.289
  222    HE1  TRP  31           1HE      TRP  31   2.310  10.959  -3.712
  223    HE3  TRP  31           3HE      TRP  31   0.696  10.618   1.383
  224    HZ2  TRP  31           2HZ      TRP  31  -0.475  11.708  -3.337
  225    HZ3  TRP  31           3HZ      TRP  31  -1.600  11.372   0.812
  226    HH2  TRP  31           2HH      TRP  31  -2.197  11.919  -1.538
  227    H    ALA  32           H        ALA  32   4.848   7.215   2.147
  228    HA   ALA  32           HA       ALA  32   6.967   8.430   3.684
  229    HB1  ALA  32           1HB      ALA  32   5.717   5.654   3.863
  230    HB2  ALA  32           2HB      ALA  32   6.716   6.430   5.108
  231    HB3  ALA  32           3HB      ALA  32   5.134   7.117   4.691
  232    H    HIS  33           H        HIS  33   6.940   5.695   1.341
  233    HA   HIS  33           HA       HIS  33   9.753   5.031   1.695
  234    HB2  HIS  33           1HB      HIS  33   7.843   4.504  -0.614
  235    HB3  HIS  33           2HB      HIS  33   9.477   3.876  -0.483
  236    HD1  HIS  33           1HD      HIS  33   9.813   2.392   2.023
  237    HD2  HIS  33           2HD      HIS  33   6.116   2.729   0.064
  238    HE1  HIS  33           1HE      HIS  33   8.453   0.385   2.770
  239    H    GLU  34           H        GLU  34   7.950   7.259  -0.436
  240    HA   GLU  34           HA       GLU  34  10.311   8.272  -1.799
  241    HB2  GLU  34           1HB      GLU  34   7.512   9.421  -1.477
  242    HB3  GLU  34           2HB      GLU  34   8.778  10.119  -2.491
  243    HG2  GLU  34           1HG      GLU  34   8.924   7.931  -3.730
  244    HG3  GLU  34           2HG      GLU  34   7.502   7.379  -2.839
  245    H    GLY  35           H        GLY  35   9.513   8.600   1.439
  246    HA2  GLY  35           1HA      GLY  35  10.591   9.762   3.090
  247    HA3  GLY  35           2HA      GLY  35  11.598  10.543   1.870
  248    H    VAL  36           H        VAL  36   8.129  10.897   1.599
  249    HA   VAL  36           HA       VAL  36   8.245  13.783   1.762
  250    HB   VAL  36           HB       VAL  36   5.847  11.918   1.689
  251   HG11  VAL  36          1HG1      VAL  36   6.048  14.889   1.045
  252   HG12  VAL  36          2HG1      VAL  36   4.641  13.858   0.709
  253   HG13  VAL  36          3HG1      VAL  36   5.124  14.148   2.376
  254   HG21  VAL  36          3HG2      VAL  36   5.798  12.398  -0.739
  255   HG22  VAL  36          1HG2      VAL  36   7.296  13.342  -0.588
  256   HG23  VAL  36          2HG2      VAL  36   7.299  11.593  -0.290
  257    H    LYS  37           H        LYS  37   7.437  15.179   3.305
  258    HA   LYS  37           HA       LYS  37   6.819  14.123   6.035
  259    HB2  LYS  37           1HB      LYS  37   8.830  16.304   5.350
  260    HB3  LYS  37           2HB      LYS  37   8.357  15.801   6.977
  261    HG2  LYS  37           1HG      LYS  37   9.274  13.534   6.562
  262    HG3  LYS  37           2HG      LYS  37   9.715  14.020   4.919
  263    HD2  LYS  37           1HD      LYS  37  11.210  15.806   5.890
  264    HD3  LYS  37           2HD      LYS  37  10.853  15.149   7.493
  265    HE2  LYS  37           1HE      LYS  37  12.938  14.198   6.795
  266    HE3  LYS  37           2HE      LYS  37  11.726  12.916   6.733
  267    HZ1  LYS  37           3HZ      LYS  37  13.125  12.925   4.743
  268    HZ2  LYS  37           1HZ      LYS  37  12.715  14.462   4.388
  269    HZ3  LYS  37           2HZ      LYS  37  11.591  13.274   4.301
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1   8.251 -15.605  -1.048
    2    H2   GLY   1           2H       GLY   1   7.338 -16.224  -2.259
    3    H3   GLY   1           3H       GLY   1   8.421 -17.176  -1.481
    4    HA2  GLY   1           1HA      GLY   1   7.181 -17.025   0.574
    5    HA3  GLY   1           2HA      GLY   1   6.018 -15.975  -0.255
    6    H    SER   2           H        SER   2   6.006 -18.845   0.993
    7    HA   SER   2           HA       SER   2   5.518 -20.679  -1.145
    8    HB2  SER   2           1HB      SER   2   4.696 -20.891   1.772
    9    HB3  SER   2           2HB      SER   2   4.852 -22.223   0.613
   10    HG   SER   2           HG       SER   2   6.722 -22.005   1.932
   11    H    SER   3           H        SER   3   3.352 -18.409   0.354
   12    HA   SER   3           HA       SER   3   1.016 -19.548  -1.121
   13    HB2  SER   3           1HB      SER   3   0.981 -18.558   1.757
   14    HB3  SER   3           2HB      SER   3  -0.435 -19.029   0.801
   15    HG   SER   3           HG       SER   3   0.313 -20.728   2.166
   16    H    GLY   4           H        GLY   4  -0.415 -18.066  -1.938
   17    HA2  GLY   4           1HA      GLY   4   0.451 -15.278  -2.218
   18    HA3  GLY   4           2HA      GLY   4  -0.939 -16.042  -2.978
   19    H    SER   5           H        SER   5  -1.093 -13.482  -1.971
   20    HA   SER   5           HA       SER   5  -2.507 -13.471   0.598
   21    HB2  SER   5           1HB      SER   5  -2.867 -11.059   0.037
   22    HB3  SER   5           2HB      SER   5  -1.172 -11.566   0.116
   23    HG   SER   5           HG       SER   5  -1.494 -10.304  -1.716
   24    H    SER   6           H        SER   6  -4.711 -12.796   0.860
   25    HA   SER   6           HA       SER   6  -6.485 -14.255  -0.876
   26    HB2  SER   6           1HB      SER   6  -7.123 -12.427   1.464
   27    HB3  SER   6           2HB      SER   6  -8.234 -13.581   0.701
   28    HG   SER   6           HG       SER   6  -7.232 -14.457   2.577
   29    H    GLY   7           H        GLY   7  -8.034 -13.611  -2.286
   30    HA2  GLY   7           1HA      GLY   7  -9.330 -12.302  -3.668
   31    HA3  GLY   7           2HA      GLY   7  -9.153 -10.998  -2.501
   32    H    ARG   8           H        ARG   8  -9.230  -9.653  -4.417
   33    HA   ARG   8           HA       ARG   8  -6.864  -9.548  -6.198
   34    HB2  ARG   8           1HB      ARG   8  -9.339  -7.783  -6.100
   35    HB3  ARG   8           2HB      ARG   8  -8.077  -7.733  -7.326
   36    HG2  ARG   8           1HG      ARG   8 -10.049  -9.992  -6.806
   37    HG3  ARG   8           2HG      ARG   8  -9.997  -8.917  -8.197
   38    HD2  ARG   8           1HD      ARG   8  -7.938 -11.041  -7.476
   39    HD3  ARG   8           2HD      ARG   8  -9.149 -11.138  -8.759
   40    HE   ARG   8           HE       ARG   8  -7.732  -8.835  -9.367
   41   HH11  ARG   8          1HH1      ARG   8  -6.827 -12.201  -9.022
   42   HH12  ARG   8          2HH1      ARG   8  -5.482 -12.046 -10.120
   43   HH21  ARG   8          2HH2      ARG   8  -5.994  -8.705 -10.752
   44   HH22  ARG   8          1HH2      ARG   8  -5.035 -10.119 -11.074
   45    H    ALA   9           H        ALA   9  -5.708  -9.355  -4.004
   46    HA   ALA   9           HA       ALA   9  -5.560  -6.769  -2.750
   47    HB1  ALA   9           1HB      ALA   9  -4.977  -8.864  -1.602
   48    HB2  ALA   9           2HB      ALA   9  -3.606  -9.097  -2.716
   49    HB3  ALA   9           3HB      ALA   9  -3.618  -7.723  -1.590
   50    H    MET  10           H        MET  10  -3.624  -5.517  -2.541
   51    HA   MET  10           HA       MET  10  -2.213  -4.938  -5.115
   52    HB2  MET  10           1HB      MET  10  -3.993  -3.357  -4.079
   53    HB3  MET  10           2HB      MET  10  -2.833  -3.045  -2.804
   54    HG2  MET  10           1HG      MET  10  -2.524  -2.503  -5.771
   55    HG3  MET  10           2HG      MET  10  -2.883  -1.322  -4.523
   56    HE1  MET  10           3HE      MET  10   0.644  -1.247  -2.595
   57    HE2  MET  10           1HE      MET  10  -1.108  -1.237  -2.315
   58    HE3  MET  10           2HE      MET  10  -0.208  -2.765  -2.372
   59    H    LYS  11           H        LYS  11   0.056  -4.831  -5.006
   60    HA   LYS  11           HA       LYS  11   1.378  -5.175  -2.333
   61    HB2  LYS  11           1HB      LYS  11   1.562  -7.078  -4.013
   62    HB3  LYS  11           2HB      LYS  11   2.522  -5.999  -5.024
   63    HG2  LYS  11           1HG      LYS  11   4.176  -5.732  -3.185
   64    HG3  LYS  11           2HG      LYS  11   3.175  -6.752  -2.132
   65    HD2  LYS  11           1HD      LYS  11   3.437  -8.632  -3.775
   66    HD3  LYS  11           2HD      LYS  11   4.524  -7.606  -4.735
   67    HE2  LYS  11           1HE      LYS  11   6.063  -7.412  -2.815
   68    HE3  LYS  11           2HE      LYS  11   4.952  -8.357  -1.808
   69    HZ1  LYS  11           3HZ      LYS  11   6.320  -9.384  -4.240
   70    HZ2  LYS  11           1HZ      LYS  11   5.295 -10.244  -3.298
   71    HZ3  LYS  11           2HZ      LYS  11   6.733  -9.751  -2.704
   72    H    CYS  12           H        CYS  12   2.755  -3.670  -1.661
   73    HA   CYS  12           HA       CYS  12   2.850  -1.100  -2.682
   74    HB2  CYS  12           1HB      CYS  12   3.291  -1.683  -0.400
   75    HB3  CYS  12           2HB      CYS  12   4.677  -2.680  -0.853
   76    HA   PRO  13           HA       PRO  13   5.837  -1.331  -5.956
   77    HB2  PRO  13           1HB      PRO  13   6.256   1.356  -6.449
   78    HB3  PRO  13           2HB      PRO  13   4.824   0.416  -6.955
   79    HG2  PRO  13           1HG      PRO  13   5.102   2.286  -4.617
   80    HG3  PRO  13           2HG      PRO  13   3.694   2.020  -5.684
   81    HD2  PRO  13           1HD      PRO  13   3.933   0.941  -3.181
   82    HD3  PRO  13           2HD      PRO  13   2.961   0.222  -4.496
   83    H    TYR  14           H        TYR  14   6.677  -0.427  -2.822
   84    HA   TYR  14           HA       TYR  14   9.605  -0.286  -3.513
   85    HB2  TYR  14           1HB      TYR  14   8.067   1.095  -1.310
   86    HB3  TYR  14           2HB      TYR  14   9.817   1.051  -1.403
   87    HD1  TYR  14           1HD      TYR  14   6.748   2.309  -3.065
   88    HD2  TYR  14           2HD      TYR  14  11.044   2.541  -2.825
   89    HE1  TYR  14           1HE      TYR  14   6.737   4.321  -4.573
   90    HE2  TYR  14           2HE      TYR  14  11.020   4.591  -4.243
   91    HH   TYR  14           HH       TYR  14   9.742   6.025  -5.490
   92    H    CYS  15           H        CYS  15   7.185  -1.800  -1.406
   93    HA   CYS  15           HA       CYS  15   9.293  -3.618  -0.380
   94    HB2  CYS  15           1HB      CYS  15   8.761  -3.347   1.889
   95    HB3  CYS  15           2HB      CYS  15   9.041  -1.742   1.239
   96    H    ASP  16           H        ASP  16   7.986  -5.185   1.310
   97    HA   ASP  16           HA       ASP  16   6.385  -6.809  -0.527
   98    HB2  ASP  16           1HB      ASP  16   6.756  -8.598   1.030
   99    HB3  ASP  16           2HB      ASP  16   8.272  -7.768   0.718
  100    H    PHE  17           H        PHE  17   5.431  -4.395   1.551
  101    HA   PHE  17           HA       PHE  17   3.333  -5.727   2.994
  102    HB2  PHE  17           1HB      PHE  17   4.622  -3.618   3.612
  103    HB3  PHE  17           2HB      PHE  17   3.579  -2.755   2.490
  104    HD1  PHE  17           1HD      PHE  17   3.783  -4.563   5.715
  105    HD2  PHE  17           2HD      PHE  17   1.199  -2.381   3.046
  106    HE1  PHE  17           1HE      PHE  17   2.110  -4.313   7.536
  107    HE2  PHE  17           2HE      PHE  17  -0.467  -2.120   4.863
  108    HZ   PHE  17           HZ       PHE  17  -0.017  -3.087   7.115
  109    H    TYR  18           H        TYR  18   1.116  -5.699   2.781
  110    HA   TYR  18           HA       TYR  18   0.070  -5.217   0.051
  111    HB2  TYR  18           1HB      TYR  18  -0.820  -7.118   2.236
  112    HB3  TYR  18           2HB      TYR  18  -1.691  -6.868   0.726
  113    HD1  TYR  18           2HD      TYR  18  -0.621  -7.366  -1.469
  114    HD2  TYR  18           1HD      TYR  18   1.196  -8.489   2.274
  115    HE1  TYR  18           2HE      TYR  18   0.988  -8.772  -2.690
  116    HE2  TYR  18           1HE      TYR  18   2.784  -9.949   1.065
  117    HH   TYR  18           HH       TYR  18   3.460 -10.765  -0.967
  118    H    PHE  19           H        PHE  19  -1.868  -4.388  -0.404
  119    HA   PHE  19           HA       PHE  19  -3.614  -3.227   1.703
  120    HB2  PHE  19           1HB      PHE  19  -2.557  -1.749  -0.736
  121    HB3  PHE  19           2HB      PHE  19  -3.964  -1.229   0.163
  122    HD1  PHE  19           1HD      PHE  19  -0.276  -1.585   0.310
  123    HD2  PHE  19           2HD      PHE  19  -3.814  -0.206   2.358
  124    HE1  PHE  19           1HE      PHE  19   1.133  -0.246   1.856
  125    HE2  PHE  19           2HE      PHE  19  -2.394   1.082   3.933
  126    HZ   PHE  19           HZ       PHE  19   0.076   1.071   3.683
  127    H    MET  20           H        MET  20  -5.769  -2.525   0.602
  128    HA   MET  20           HA       MET  20  -6.545  -4.294  -1.651
  129    HB2  MET  20           1HB      MET  20  -6.905  -5.447   0.595
  130    HB3  MET  20           2HB      MET  20  -8.095  -4.193   0.964
  131    HG2  MET  20           1HG      MET  20  -9.386  -4.895  -1.058
  132    HG3  MET  20           2HG      MET  20  -8.162  -6.118  -1.400
  133    HE1  MET  20           3HE      MET  20 -11.244  -5.036   0.680
  134    HE2  MET  20           1HE      MET  20 -11.314  -6.227   1.995
  135    HE3  MET  20           2HE      MET  20 -10.039  -4.995   1.989
  136    H    LYS  21           H        LYS  21  -8.328  -3.577  -2.834
  137    HA   LYS  21           HA       LYS  21  -9.564  -2.010  -3.938
  138    HB2  LYS  21           1HB      LYS  21 -10.572  -1.698  -1.096
  139    HB3  LYS  21           2HB      LYS  21 -11.364  -0.950  -2.487
  140    HG2  LYS  21           1HG      LYS  21 -11.776  -3.091  -3.538
  141    HG3  LYS  21           2HG      LYS  21 -10.854  -3.939  -2.304
  142    HD2  LYS  21           1HD      LYS  21 -13.198  -4.235  -1.860
  143    HD3  LYS  21           2HD      LYS  21 -12.493  -3.247  -0.572
  144    HE2  LYS  21           1HE      LYS  21 -13.386  -1.198  -1.636
  145    HE3  LYS  21           2HE      LYS  21 -14.034  -2.159  -2.973
  146    HZ1  LYS  21           3HZ      LYS  21 -15.742  -1.679  -1.317
  147    HZ2  LYS  21           1HZ      LYS  21 -14.884  -2.402  -0.135
  148    HZ3  LYS  21           2HZ      LYS  21 -15.483  -3.288  -1.371
  149    H    ASN  22           H        ASN  22  -6.966  -1.013  -3.301
  150    HA   ASN  22           HA       ASN  22  -5.699   0.865  -3.274
  151    HB2  ASN  22           1HB      ASN  22  -6.759   0.760  -5.553
  152    HB3  ASN  22           2HB      ASN  22  -7.939   1.955  -5.011
  153   HD21  ASN  22          1HD2      ASN  22  -7.065   3.216  -6.868
  154   HD22  ASN  22          2HD2      ASN  22  -5.583   4.129  -6.616
  155    H    GLY  23           H        GLY  23  -6.940   0.770  -0.871
  156    HA2  GLY  23           1HA      GLY  23  -8.336   3.093  -0.024
  157    HA3  GLY  23           2HA      GLY  23  -7.364   2.048   1.012
  158    H    SER  24           H        SER  24  -7.672   4.979   1.091
  159    HA   SER  24           HA       SER  24  -5.550   6.365  -0.161
  160    HB2  SER  24           1HB      SER  24  -6.133   8.202   1.409
  161    HB3  SER  24           2HB      SER  24  -7.531   7.498   0.577
  162    HG   SER  24           HG       SER  24  -7.912   7.790   2.830
  163    H    ASP  25           H        ASP  25  -5.369   4.443   2.743
  164    HA   ASP  25           HA       ASP  25  -2.998   5.648   3.858
  165    HB2  ASP  25           1HB      ASP  25  -4.182   2.858   4.057
  166    HB3  ASP  25           2HB      ASP  25  -2.718   3.352   4.914
  167    H    LEU  26           H        LEU  26  -3.410   3.558   1.036
  168    HA   LEU  26           HA       LEU  26  -0.674   2.692   0.832
  169    HB2  LEU  26           1HB      LEU  26  -2.461   1.654  -0.471
  170    HB3  LEU  26           2HB      LEU  26  -2.810   3.186  -1.280
  171    HG   LEU  26           HG       LEU  26  -0.604   3.163  -2.375
  172   HD11  LEU  26          1HD1      LEU  26   0.784   1.093  -2.310
  173   HD12  LEU  26          2HD1      LEU  26  -0.252   0.472  -1.012
  174   HD13  LEU  26          3HD1      LEU  26   0.746   1.910  -0.750
  175   HD21  LEU  26          3HD2      LEU  26  -1.007   1.237  -3.873
  176   HD22  LEU  26          1HD2      LEU  26  -2.470   2.182  -3.547
  177   HD23  LEU  26          2HD2      LEU  26  -2.231   0.627  -2.729
  178    H    GLN  27           H        GLN  27  -2.356   5.676  -0.255
  179    HA   GLN  27           HA       GLN  27  -0.174   6.778  -1.732
  180    HB2  GLN  27           1HB      GLN  27  -2.524   7.487  -1.910
  181    HB3  GLN  27           2HB      GLN  27  -2.469   8.153  -0.270
  182    HG2  GLN  27           1HG      GLN  27  -0.783   9.789  -0.938
  183    HG3  GLN  27           2HG      GLN  27  -0.703   9.092  -2.561
  184   HE21  GLN  27          1HE2      GLN  27  -1.280  11.846  -2.124
  185   HE22  GLN  27          2HE2      GLN  27  -2.941  12.112  -2.646
  186    H    ARG  28           H        ARG  28  -1.104   7.083   1.715
  187    HA   ARG  28           HA       ARG  28   1.113   8.794   2.470
  188    HB2  ARG  28           1HB      ARG  28  -0.495   6.902   4.246
  189    HB3  ARG  28           2HB      ARG  28   0.529   8.249   4.760
  190    HG2  ARG  28           1HG      ARG  28  -1.014   9.726   3.271
  191    HG3  ARG  28           2HG      ARG  28  -2.135   8.360   3.305
  192    HD2  ARG  28           1HD      ARG  28  -1.012   9.835   5.724
  193    HD3  ARG  28           2HD      ARG  28  -2.616  10.095   5.026
  194    HE   ARG  28           HE       ARG  28  -2.726   7.430   5.584
  195   HH11  ARG  28          2HH1      ARG  28  -1.832  10.134   7.637
  196   HH12  ARG  28          1HH1      ARG  28  -2.404   9.331   9.074
  197   HH21  ARG  28          2HH2      ARG  28  -3.458   6.503   7.399
  198   HH22  ARG  28          1HH2      ARG  28  -3.296   7.312   8.951
  199    H    HIS  29           H        HIS  29   0.689   5.266   2.547
  200    HA   HIS  29           HA       HIS  29   3.207   4.608   3.706
  201    HB2  HIS  29           1HB      HIS  29   1.300   3.090   3.560
  202    HB3  HIS  29           2HB      HIS  29   1.405   3.064   1.800
  203    HD1  HIS  29           1HD      HIS  29   3.020   1.503   4.869
  204    HD2  HIS  29           2HD      HIS  29   3.408   1.641   0.687
  205    HE1  HIS  29           1HE      HIS  29   4.594  -0.393   4.261
  206    H    ILE  30           H        ILE  30   2.341   5.099   0.246
  207    HA   ILE  30           HA       ILE  30   5.018   4.486  -0.706
  208    HB   ILE  30           HB       ILE  30   2.618   5.873  -1.956
  209   HG12  ILE  30          1HG1      ILE  30   3.951   3.196  -2.598
  210   HG13  ILE  30          2HG1      ILE  30   2.586   3.353  -1.500
  211   HG21  ILE  30          1HG2      ILE  30   5.341   5.261  -3.152
  212   HG22  ILE  30          2HG2      ILE  30   3.923   5.701  -4.129
  213   HG23  ILE  30          3HG2      ILE  30   4.583   6.862  -2.987
  214   HD11  ILE  30          3HD1      ILE  30   2.582   4.028  -4.462
  215   HD12  ILE  30          1HD1      ILE  30   1.709   2.734  -3.648
  216   HD13  ILE  30          2HD1      ILE  30   1.266   4.436  -3.332
  217    H    TRP  31           H        TRP  31   3.292   7.590  -0.197
  218    HA   TRP  31           HA       TRP  31   5.420   9.376  -0.687
  219    HB2  TRP  31           1HB      TRP  31   3.084   9.380   1.224
  220    HB3  TRP  31           2HB      TRP  31   4.243  10.681   1.273
  221    HD1  TRP  31           1HD      TRP  31   4.242  10.149  -2.229
  222    HE1  TRP  31           1HE      TRP  31   2.660  11.694  -3.451
  223    HE3  TRP  31           3HE      TRP  31   1.284  11.541   1.723
  224    HZ2  TRP  31           2HZ      TRP  31   0.426  13.434  -2.811
  225    HZ3  TRP  31           3HZ      TRP  31  -0.564  13.169   1.380
  226    HH2  TRP  31           2HH      TRP  31  -0.986  14.138  -0.868
  227    H    ALA  32           H        ALA  32   4.978   7.289   2.134
  228    HA   ALA  32           HA       ALA  32   7.088   8.493   3.701
  229    HB1  ALA  32           1HB      ALA  32   5.827   5.719   3.855
  230    HB2  ALA  32           2HB      ALA  32   6.815   6.485   5.116
  231    HB3  ALA  32           3HB      ALA  32   5.236   7.177   4.684
  232    H    HIS  33           H        HIS  33   7.053   5.730   1.385
  233    HA   HIS  33           HA       HIS  33   9.864   5.070   1.705
  234    HB2  HIS  33           1HB      HIS  33   7.912   4.588  -0.583
  235    HB3  HIS  33           2HB      HIS  33   9.557   3.981  -0.527
  236    HD1  HIS  33           1HD      HIS  33  10.019   2.414   1.887
  237    HD2  HIS  33           2HD      HIS  33   6.224   2.766   0.120
  238    HE1  HIS  33           1HE      HIS  33   8.725   0.358   2.619
  239    H    GLU  34           H        GLU  34   8.086   7.359  -0.381
  240    HA   GLU  34           HA       GLU  34  10.459   8.354  -1.737
  241    HB2  GLU  34           1HB      GLU  34   7.667   9.517  -1.411
  242    HB3  GLU  34           2HB      GLU  34   8.938  10.226  -2.410
  243    HG2  GLU  34           1HG      GLU  34   9.087   8.071  -3.688
  244    HG3  GLU  34           2HG      GLU  34   7.668   7.493  -2.810
  245    H    GLY  35           H        GLY  35   9.694   8.646   1.505
  246    HA2  GLY  35           1HA      GLY  35  10.793   9.794   3.157
  247    HA3  GLY  35           2HA      GLY  35  11.744  10.641   1.936
  248    H    VAL  36           H        VAL  36   8.274  10.905   1.671
  249    HA   VAL  36           HA       VAL  36   8.349  13.791   2.068
  250    HB   VAL  36           HB       VAL  36   5.966  11.959   1.648
  251   HG11  VAL  36          1HG1      VAL  36   6.265  14.963   1.243
  252   HG12  VAL  36          2HG1      VAL  36   4.855  13.991   0.768
  253   HG13  VAL  36          3HG1      VAL  36   5.264  14.156   2.475
  254   HG21  VAL  36          3HG2      VAL  36   7.526  11.730  -0.237
  255   HG22  VAL  36          1HG2      VAL  36   6.097  12.633  -0.731
  256   HG23  VAL  36          2HG2      VAL  36   7.618  13.497  -0.398
  257    H    LYS  37           H        LYS  37   7.695  14.959   3.775
  258    HA   LYS  37           HA       LYS  37   6.323  13.745   6.116
  259    HB2  LYS  37           1HB      LYS  37   8.896  15.378   6.230
  260    HB3  LYS  37           2HB      LYS  37   7.908  14.973   7.626
  261    HG2  LYS  37           1HG      LYS  37   9.334  12.935   5.859
  262    HG3  LYS  37           2HG      LYS  37   9.925  13.565   7.393
  263    HD2  LYS  37           1HD      LYS  37   7.969  12.600   8.580
  264    HD3  LYS  37           2HD      LYS  37   7.327  12.002   7.049
  265    HE2  LYS  37           1HE      LYS  37   8.366  10.154   8.107
  266    HE3  LYS  37           2HE      LYS  37   9.373  10.612   6.731
  267    HZ1  LYS  37           3HZ      LYS  37   9.916  11.342   9.566
  268    HZ2  LYS  37           1HZ      LYS  37  10.874  11.733   8.300
  269    HZ3  LYS  37           2HZ      LYS  37  10.692  10.174   8.736
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -6.880 -13.138   3.810
    2    H2   GLY   1           2H       GLY   1  -5.264 -13.411   3.842
    3    H3   GLY   1           3H       GLY   1  -6.162 -13.932   2.572
    4    HA2  GLY   1           1HA      GLY   1  -5.694 -11.111   3.291
    5    HA3  GLY   1           2HA      GLY   1  -4.901 -11.971   1.958
    6    H    SER   2           H        SER   2  -6.363  -9.606   1.577
    7    HA   SER   2           HA       SER   2  -9.072 -10.002   0.799
    8    HB2  SER   2           1HB      SER   2  -7.123  -7.892  -0.185
    9    HB3  SER   2           2HB      SER   2  -8.899  -7.820  -0.245
   10    HG   SER   2           HG       SER   2  -8.076  -6.691   1.575
   11    H    SER   3           H        SER   3 -10.073 -10.169  -1.202
   12    HA   SER   3           HA       SER   3  -8.434 -11.265  -3.459
   13    HB2  SER   3           1HB      SER   3  -9.212 -13.086  -2.009
   14    HB3  SER   3           2HB      SER   3 -10.889 -12.550  -2.215
   15    HG   SER   3           HG       SER   3 -10.299 -14.250  -3.657
   16    H    GLY   4           H        GLY   4 -11.891 -10.475  -2.678
   17    HA2  GLY   4           1HA      GLY   4 -13.490  -9.326  -3.871
   18    HA3  GLY   4           2HA      GLY   4 -12.168  -8.348  -4.488
   19    H    SER   5           H        SER   5 -13.118  -8.080  -6.517
   20    HA   SER   5           HA       SER   5 -13.980 -10.307  -8.176
   21    HB2  SER   5           1HB      SER   5 -14.323  -8.522  -9.871
   22    HB3  SER   5           2HB      SER   5 -15.124  -8.199  -8.324
   23    HG   SER   5           HG       SER   5 -14.001  -6.354  -9.138
   24    H    SER   6           H        SER   6 -10.922  -8.629  -7.778
   25    HA   SER   6           HA       SER   6  -9.767  -9.580 -10.305
   26    HB2  SER   6           1HB      SER   6  -7.718  -8.491  -9.416
   27    HB3  SER   6           2HB      SER   6  -9.122  -7.403  -9.438
   28    HG   SER   6           HG       SER   6  -7.843  -7.462  -7.419
   29    H    GLY   7           H        GLY   7 -10.210 -10.927  -7.190
   30    HA2  GLY   7           1HA      GLY   7  -9.657 -13.002  -6.374
   31    HA3  GLY   7           2HA      GLY   7  -8.689 -13.332  -7.809
   32    H    ARG   8           H        ARG   8  -7.740 -10.364  -6.368
   33    HA   ARG   8           HA       ARG   8  -5.641 -11.452  -4.632
   34    HB2  ARG   8           1HB      ARG   8  -3.763 -10.912  -6.068
   35    HB3  ARG   8           2HB      ARG   8  -4.820 -12.065  -6.869
   36    HG2  ARG   8           1HG      ARG   8  -5.859  -9.984  -8.079
   37    HG3  ARG   8           2HG      ARG   8  -4.437  -9.112  -7.482
   38    HD2  ARG   8           1HD      ARG   8  -2.999 -10.888  -8.540
   39    HD3  ARG   8           2HD      ARG   8  -4.451 -11.609  -9.234
   40    HE   ARG   8           HE       ARG   8  -3.051  -9.187 -10.095
   41   HH11  ARG   8          2HH1      ARG   8  -6.230 -10.735 -10.329
   42   HH12  ARG   8          1HH1      ARG   8  -6.512 -10.020 -11.888
   43   HH21  ARG   8          2HH2      ARG   8  -3.577  -8.264 -12.021
   44   HH22  ARG   8          1HH2      ARG   8  -5.101  -8.616 -12.777
   45    H    ALA   9           H        ALA   9  -4.423  -9.941  -3.538
   46    HA   ALA   9           HA       ALA   9  -5.350  -7.141  -3.498
   47    HB1  ALA   9           1HB      ALA   9  -4.876  -8.307  -1.382
   48    HB2  ALA   9           2HB      ALA   9  -3.194  -8.589  -1.905
   49    HB3  ALA   9           3HB      ALA   9  -3.770  -6.938  -1.625
   50    H    MET  10           H        MET  10  -3.558  -5.444  -3.357
   51    HA   MET  10           HA       MET  10  -1.679  -5.704  -5.648
   52    HB2  MET  10           1HB      MET  10  -1.857  -3.474  -5.960
   53    HB3  MET  10           2HB      MET  10  -3.414  -3.760  -5.190
   54    HG2  MET  10           1HG      MET  10  -2.703  -1.873  -4.116
   55    HG3  MET  10           2HG      MET  10  -2.223  -3.118  -2.976
   56    HE1  MET  10           3HE      MET  10  -0.632  -1.902  -1.633
   57    HE2  MET  10           1HE      MET  10   0.291  -3.356  -2.064
   58    HE3  MET  10           2HE      MET  10   1.067  -1.761  -2.066
   59    H    LYS  11           H        LYS  11   0.566  -5.113  -5.363
   60    HA   LYS  11           HA       LYS  11   1.589  -5.367  -2.560
   61    HB2  LYS  11           1HB      LYS  11   2.028  -7.336  -4.097
   62    HB3  LYS  11           2HB      LYS  11   3.084  -6.274  -5.043
   63    HG2  LYS  11           1HG      LYS  11   4.473  -5.849  -3.029
   64    HG3  LYS  11           2HG      LYS  11   3.341  -6.795  -2.045
   65    HD2  LYS  11           1HD      LYS  11   3.882  -8.792  -3.511
   66    HD3  LYS  11           2HD      LYS  11   5.172  -7.829  -4.257
   67    HE2  LYS  11           1HE      LYS  11   6.318  -7.554  -2.168
   68    HE3  LYS  11           2HE      LYS  11   4.908  -8.087  -1.243
   69    HZ1  LYS  11           3HZ      LYS  11   6.532  -9.870  -2.959
   70    HZ2  LYS  11           1HZ      LYS  11   5.212 -10.308  -2.072
   71    HZ3  LYS  11           2HZ      LYS  11   6.569  -9.788  -1.313
   72    H    CYS  12           H        CYS  12   3.039  -3.957  -1.823
   73    HA   CYS  12           HA       CYS  12   3.047  -1.356  -2.772
   74    HB2  CYS  12           1HB      CYS  12   3.406  -2.039  -0.481
   75    HB3  CYS  12           2HB      CYS  12   4.918  -2.842  -0.909
   76    HA   PRO  13           HA       PRO  13   6.176  -1.346  -5.926
   77    HB2  PRO  13           1HB      PRO  13   6.500   1.395  -6.239
   78    HB3  PRO  13           2HB      PRO  13   5.184   0.405  -6.930
   79    HG2  PRO  13           1HG      PRO  13   5.123   2.144  -4.475
   80    HG3  PRO  13           2HG      PRO  13   3.841   1.864  -5.687
   81    HD2  PRO  13           1HD      PRO  13   3.870   0.650  -3.250
   82    HD3  PRO  13           2HD      PRO  13   3.146  -0.078  -4.708
   83    H    TYR  14           H        TYR  14   6.781  -0.488  -2.707
   84    HA   TYR  14           HA       TYR  14   9.737  -0.250  -3.216
   85    HB2  TYR  14           1HB      TYR  14   8.041   1.155  -1.154
   86    HB3  TYR  14           2HB      TYR  14   9.794   1.191  -1.181
   87    HD1  TYR  14           1HD      TYR  14   6.721   2.296  -2.907
   88    HD2  TYR  14           2HD      TYR  14  11.016   2.591  -2.743
   89    HE1  TYR  14           1HE      TYR  14   6.662   4.212  -4.534
   90    HE2  TYR  14           2HE      TYR  14  10.949   4.541  -4.293
   91    HH   TYR  14           HH       TYR  14   9.638   5.879  -5.610
   92    H    CYS  15           H        CYS  15   7.244  -1.788  -1.206
   93    HA   CYS  15           HA       CYS  15   9.390  -3.421   0.047
   94    HB2  CYS  15           1HB      CYS  15   8.675  -3.125   2.240
   95    HB3  CYS  15           2HB      CYS  15   8.805  -1.520   1.554
   96    H    ASP  16           H        ASP  16   8.060  -5.025   1.678
   97    HA   ASP  16           HA       ASP  16   6.948  -6.913  -0.247
   98    HB2  ASP  16           1HB      ASP  16   8.741  -7.430   1.435
   99    HB3  ASP  16           2HB      ASP  16   7.529  -7.276   2.708
  100    H    PHE  17           H        PHE  17   5.430  -4.558   1.599
  101    HA   PHE  17           HA       PHE  17   3.308  -6.181   2.720
  102    HB2  PHE  17           1HB      PHE  17   4.429  -3.991   3.600
  103    HB3  PHE  17           2HB      PHE  17   3.237  -3.175   2.601
  104    HD1  PHE  17           2HD      PHE  17   3.796  -5.413   5.512
  105    HD2  PHE  17           1HD      PHE  17   0.851  -3.209   3.265
  106    HE1  PHE  17           2HE      PHE  17   2.156  -5.719   7.352
  107    HE2  PHE  17           1HE      PHE  17  -0.783  -3.511   5.102
  108    HZ   PHE  17           HZ       PHE  17  -0.137  -4.768   7.153
  109    H    TYR  18           H        TYR  18   1.067  -6.008   2.393
  110    HA   TYR  18           HA       TYR  18   0.235  -5.378  -0.399
  111    HB2  TYR  18           1HB      TYR  18  -0.786  -7.488   1.530
  112    HB3  TYR  18           2HB      TYR  18  -1.479  -7.146  -0.047
  113    HD1  TYR  18           1HD      TYR  18   1.526  -8.476   1.698
  114    HD2  TYR  18           2HD      TYR  18  -0.460  -7.914  -2.088
  115    HE1  TYR  18           1HE      TYR  18   3.146 -10.003   0.624
  116    HE2  TYR  18           2HE      TYR  18   1.151  -9.439  -3.167
  117    HH   TYR  18           HH       TYR  18   2.877 -10.949  -2.835
  118    H    PHE  19           H        PHE  19  -1.742  -4.516  -0.854
  119    HA   PHE  19           HA       PHE  19  -3.614  -3.705   1.298
  120    HB2  PHE  19           1HB      PHE  19  -2.489  -1.750  -0.746
  121    HB3  PHE  19           2HB      PHE  19  -3.870  -1.447   0.243
  122    HD1  PHE  19           1HD      PHE  19  -0.165  -2.118   0.522
  123    HD2  PHE  19           2HD      PHE  19  -3.686  -0.425   2.348
  124    HE1  PHE  19           1HE      PHE  19   1.250  -0.966   2.190
  125    HE2  PHE  19           2HE      PHE  19  -2.262   0.703   4.029
  126    HZ   PHE  19           HZ       PHE  19   0.206   0.440   3.954
  127    H    MET  20           H        MET  20  -5.769  -3.144   0.406
  128    HA   MET  20           HA       MET  20  -6.181  -3.457  -2.458
  129    HB2  MET  20           1HB      MET  20  -6.328  -5.840  -1.615
  130    HB3  MET  20           2HB      MET  20  -7.739  -5.351  -0.656
  131    HG2  MET  20           1HG      MET  20  -8.875  -4.611  -2.729
  132    HG3  MET  20           2HG      MET  20  -7.450  -5.048  -3.673
  133    HE1  MET  20           3HE      MET  20 -10.412  -5.840  -4.336
  134    HE2  MET  20           1HE      MET  20  -8.976  -6.209  -5.316
  135    HE3  MET  20           2HE      MET  20 -10.128  -7.497  -4.925
  136    H    LYS  21           H        LYS  21  -7.642  -2.065  -3.105
  137    HA   LYS  21           HA       LYS  21  -8.936  -0.238  -3.061
  138    HB2  LYS  21           1HB      LYS  21 -11.258  -0.596  -2.560
  139    HB3  LYS  21           2HB      LYS  21 -10.550  -1.958  -3.412
  140    HG2  LYS  21           1HG      LYS  21 -10.525  -3.319  -1.408
  141    HG3  LYS  21           2HG      LYS  21 -11.007  -1.935  -0.400
  142    HD2  LYS  21           1HD      LYS  21 -13.167  -1.815  -1.614
  143    HD3  LYS  21           2HD      LYS  21 -12.680  -3.203  -2.615
  144    HE2  LYS  21           1HE      LYS  21 -12.486  -4.607  -0.576
  145    HE3  LYS  21           2HE      LYS  21 -12.937  -3.224   0.429
  146    HZ1  LYS  21           3HZ      LYS  21 -15.099  -3.191  -0.696
  147    HZ2  LYS  21           1HZ      LYS  21 -14.849  -4.651  -0.017
  148    HZ3  LYS  21           2HZ      LYS  21 -14.685  -4.467  -1.631
  149    H    ASN  22           H        ASN  22  -7.069  -0.189  -0.869
  150    HA   ASN  22           HA       ASN  22  -8.433   1.198   1.332
  151    HB2  ASN  22           1HB      ASN  22  -5.490   0.570   0.826
  152    HB3  ASN  22           2HB      ASN  22  -6.136   1.296   2.294
  153   HD21  ASN  22          1HD2      ASN  22  -8.006  -0.031   3.379
  154   HD22  ASN  22          2HD2      ASN  22  -7.686  -1.756   3.434
  155    H    GLY  23           H        GLY  23  -7.168   2.262  -1.661
  156    HA2  GLY  23           1HA      GLY  23  -6.944   4.363  -2.577
  157    HA3  GLY  23           2HA      GLY  23  -8.039   4.890  -1.303
  158    H    SER  24           H        SER  24  -7.271   6.602  -0.254
  159    HA   SER  24           HA       SER  24  -4.735   7.718  -0.430
  160    HB2  SER  24           1HB      SER  24  -6.684   8.038   1.879
  161    HB3  SER  24           2HB      SER  24  -5.426   9.184   1.375
  162    HG   SER  24           HG       SER  24  -7.498   9.759   0.557
  163    H    ASP  25           H        ASP  25  -5.735   5.181   1.838
  164    HA   ASP  25           HA       ASP  25  -3.592   5.592   3.723
  165    HB2  ASP  25           1HB      ASP  25  -5.749   4.418   4.179
  166    HB3  ASP  25           2HB      ASP  25  -5.182   3.079   3.177
  167    H    LEU  26           H        LEU  26  -3.824   3.773   0.679
  168    HA   LEU  26           HA       LEU  26  -1.154   2.562   0.952
  169    HB2  LEU  26           1HB      LEU  26  -2.778   1.386  -0.392
  170    HB3  LEU  26           2HB      LEU  26  -3.107   2.822  -1.362
  171    HG   LEU  26           HG       LEU  26  -0.839   2.752  -2.324
  172   HD11  LEU  26          1HD1      LEU  26   0.595   0.750  -1.989
  173   HD12  LEU  26          2HD1      LEU  26  -0.506   0.199  -0.712
  174   HD13  LEU  26          3HD1      LEU  26   0.435   1.682  -0.501
  175   HD21  LEU  26          3HD2      LEU  26  -2.262   0.075  -2.528
  176   HD22  LEU  26          1HD2      LEU  26  -1.105   0.766  -3.689
  177   HD23  LEU  26          2HD2      LEU  26  -2.675   1.548  -3.436
  178    H    GLN  27           H        GLN  27  -2.616   5.450  -0.600
  179    HA   GLN  27           HA       GLN  27  -0.284   6.318  -1.975
  180    HB2  GLN  27           1HB      GLN  27  -2.526   8.000  -0.795
  181    HB3  GLN  27           2HB      GLN  27  -1.301   8.569  -1.932
  182    HG2  GLN  27           1HG      GLN  27  -2.052   6.968  -3.632
  183    HG3  GLN  27           2HG      GLN  27  -3.273   6.325  -2.538
  184   HE21  GLN  27          1HE2      GLN  27  -4.330   7.080  -4.839
  185   HE22  GLN  27          2HE2      GLN  27  -5.119   8.646  -4.699
  186    H    ARG  28           H        ARG  28  -1.335   7.156   1.390
  187    HA   ARG  28           HA       ARG  28   1.096   8.627   1.925
  188    HB2  ARG  28           1HB      ARG  28   0.420   8.784   4.180
  189    HB3  ARG  28           2HB      ARG  28  -0.992   9.014   3.151
  190    HG2  ARG  28           1HG      ARG  28  -1.684   6.664   3.623
  191    HG3  ARG  28           2HG      ARG  28  -0.290   6.474   4.703
  192    HD2  ARG  28           1HD      ARG  28  -1.113   8.336   6.098
  193    HD3  ARG  28           2HD      ARG  28  -2.516   8.530   5.029
  194    HE   ARG  28           HE       ARG  28  -2.628   5.855   5.817
  195   HH11  ARG  28          2HH1      ARG  28  -2.671   8.872   7.633
  196   HH12  ARG  28          1HH1      ARG  28  -3.605   8.152   8.918
  197   HH21  ARG  28          2HH2      ARG  28  -3.777   5.073   7.347
  198   HH22  ARG  28          1HH2      ARG  28  -4.230   5.998   8.782
  199    H    HIS  29           H        HIS  29   0.392   5.172   2.298
  200    HA   HIS  29           HA       HIS  29   2.824   4.505   3.684
  201    HB2  HIS  29           1HB      HIS  29   0.956   2.956   3.538
  202    HB3  HIS  29           2HB      HIS  29   1.066   2.906   1.782
  203    HD1  HIS  29           1HD      HIS  29   2.801   1.483   4.873
  204    HD2  HIS  29           2HD      HIS  29   3.021   1.435   0.675
  205    HE1  HIS  29           1HE      HIS  29   4.397  -0.401   4.288
  206    H    ILE  30           H        ILE  30   2.100   4.923   0.198
  207    HA   ILE  30           HA       ILE  30   4.788   4.229  -0.662
  208    HB   ILE  30           HB       ILE  30   2.412   5.570  -1.996
  209   HG12  ILE  30          1HG1      ILE  30   3.788   2.882  -2.485
  210   HG13  ILE  30          2HG1      ILE  30   2.373   3.090  -1.455
  211   HG21  ILE  30          1HG2      ILE  30   3.732   5.373  -4.148
  212   HG22  ILE  30          2HG2      ILE  30   4.361   6.573  -3.032
  213   HG23  ILE  30          3HG2      ILE  30   5.156   4.989  -3.153
  214   HD11  ILE  30          3HD1      ILE  30   1.142   4.078  -3.400
  215   HD12  ILE  30          1HD1      ILE  30   2.505   3.585  -4.441
  216   HD13  ILE  30          2HD1      ILE  30   1.577   2.354  -3.580
  217    H    TRP  31           H        TRP  31   3.112   7.389  -0.370
  218    HA   TRP  31           HA       TRP  31   5.289   9.067  -0.914
  219    HB2  TRP  31           1HB      TRP  31   2.984   9.379   1.021
  220    HB3  TRP  31           2HB      TRP  31   4.103  10.680   0.658
  221    HD1  TRP  31           1HD      TRP  31   4.309  10.052  -2.513
  222    HE1  TRP  31           1HE      TRP  31   2.412  10.717  -4.044
  223    HE3  TRP  31           3HE      TRP  31   0.607  10.614   0.998
  224    HZ2  TRP  31           2HZ      TRP  31  -0.394  11.437  -3.812
  225    HZ3  TRP  31           3HZ      TRP  31  -1.674  11.302   0.302
  226    HH2  TRP  31           2HH      TRP  31  -2.188  11.712  -2.093
  227    H    ALA  32           H        ALA  32   4.712   7.232   2.048
  228    HA   ALA  32           HA       ALA  32   6.762   8.490   3.644
  229    HB1  ALA  32           1HB      ALA  32   4.895   7.212   4.612
  230    HB2  ALA  32           2HB      ALA  32   5.483   5.728   3.827
  231    HB3  ALA  32           3HB      ALA  32   6.450   6.509   5.096
  232    H    HIS  33           H        HIS  33   6.837   5.672   1.394
  233    HA   HIS  33           HA       HIS  33   9.626   5.016   1.897
  234    HB2  HIS  33           1HB      HIS  33   7.819   4.429  -0.478
  235    HB3  HIS  33           2HB      HIS  33   9.448   3.812  -0.269
  236    HD1  HIS  33           1HD      HIS  33   9.690   2.395   2.291
  237    HD2  HIS  33           2HD      HIS  33   6.087   2.643   0.155
  238    HE1  HIS  33           1HE      HIS  33   8.326   0.381   3.009
  239    H    GLU  34           H        GLU  34   7.942   7.221  -0.346
  240    HA   GLU  34           HA       GLU  34  10.378   8.182  -1.620
  241    HB2  GLU  34           1HB      GLU  34   7.580   9.367  -1.481
  242    HB3  GLU  34           2HB      GLU  34   8.907  10.009  -2.452
  243    HG2  GLU  34           1HG      GLU  34   9.081   7.779  -3.605
  244    HG3  GLU  34           2HG      GLU  34   7.605   7.279  -2.773
  245    H    GLY  35           H        GLY  35   9.507   8.526   1.565
  246    HA2  GLY  35           1HA      GLY  35  10.572   9.692   3.223
  247    HA3  GLY  35           2HA      GLY  35  11.510  10.569   2.012
  248    H    VAL  36           H        VAL  36   8.061  10.787   1.630
  249    HA   VAL  36           HA       VAL  36   8.087  13.657   2.180
  250    HB   VAL  36           HB       VAL  36   5.745  11.855   1.492
  251   HG11  VAL  36          1HG1      VAL  36   6.074  14.877   1.297
  252   HG12  VAL  36          2HG1      VAL  36   4.694  13.946   0.676
  253   HG13  VAL  36          3HG1      VAL  36   4.994  14.002   2.410
  254   HG21  VAL  36          3HG2      VAL  36   6.033  12.689  -0.828
  255   HG22  VAL  36          1HG2      VAL  36   7.529  13.516  -0.338
  256   HG23  VAL  36          2HG2      VAL  36   7.424  11.741  -0.305
  257    H    LYS  37           H        LYS  37   7.337  14.711   3.912
  258    HA   LYS  37           HA       LYS  37   5.718  13.454   6.012
  259    HB2  LYS  37           1HB      LYS  37   7.245  13.944   7.811
  260    HB3  LYS  37           2HB      LYS  37   7.916  12.767   6.685
  261    HG2  LYS  37           1HG      LYS  37   9.275  14.615   5.626
  262    HG3  LYS  37           2HG      LYS  37   8.691  15.718   6.884
  263    HD2  LYS  37           1HD      LYS  37  10.172  13.111   7.400
  264    HD3  LYS  37           2HD      LYS  37  10.953  14.701   7.308
  265    HE2  LYS  37           1HE      LYS  37   9.545  15.493   9.207
  266    HE3  LYS  37           2HE      LYS  37   8.810  13.889   9.326
  267    HZ1  LYS  37           3HZ      LYS  37  11.698  14.468   9.719
  268    HZ2  LYS  37           1HZ      LYS  37  11.019  12.985   9.824
  269    HZ3  LYS  37           2HZ      LYS  37  10.630  14.141  10.907
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1   0.606 -25.647  -1.347
    2    H2   GLY   1           2H       GLY   1   1.351 -24.805  -2.534
    3    H3   GLY   1           3H       GLY   1   0.571 -26.202  -2.888
    4    HA2  GLY   1           1HA      GLY   1  -0.747 -24.329  -3.609
    5    HA3  GLY   1           2HA      GLY   1  -1.557 -25.242  -2.324
    6    H    SER   2           H        SER   2  -2.506 -22.819  -2.614
    7    HA   SER   2           HA       SER   2  -1.166 -20.675  -1.281
    8    HB2  SER   2           1HB      SER   2  -4.141 -21.075  -1.764
    9    HB3  SER   2           2HB      SER   2  -3.335 -19.546  -1.365
   10    HG   SER   2           HG       SER   2  -3.677 -19.785  -3.628
   11    H    SER   3           H        SER   3  -1.623 -19.638   0.693
   12    HA   SER   3           HA       SER   3  -3.113 -21.067   2.815
   13    HB2  SER   3           1HB      SER   3  -1.224 -20.941   4.366
   14    HB3  SER   3           2HB      SER   3  -0.837 -21.954   2.968
   15    HG   SER   3           HG       SER   3   0.871 -20.506   3.487
   16    H    GLY   4           H        GLY   4  -3.255 -19.737   4.838
   17    HA2  GLY   4           1HA      GLY   4  -3.706 -17.753   5.967
   18    HA3  GLY   4           2HA      GLY   4  -2.869 -16.856   4.706
   19    H    SER   5           H        SER   5  -4.440 -15.234   4.630
   20    HA   SER   5           HA       SER   5  -7.234 -15.574   4.513
   21    HB2  SER   5           1HB      SER   5  -5.575 -13.273   3.419
   22    HB3  SER   5           2HB      SER   5  -7.305 -13.230   3.808
   23    HG   SER   5           HG       SER   5  -6.004 -12.397   5.518
   24    H    SER   6           H        SER   6  -8.767 -15.462   2.906
   25    HA   SER   6           HA       SER   6  -8.049 -16.507   0.267
   26    HB2  SER   6           1HB      SER   6 -10.047 -17.217   1.644
   27    HB3  SER   6           2HB      SER   6 -10.786 -15.651   1.253
   28    HG   SER   6           HG       SER   6 -11.369 -17.363  -0.212
   29    H    GLY   7           H        GLY   7  -9.189 -15.543  -1.684
   30    HA2  GLY   7           1HA      GLY   7  -9.515 -13.816  -3.208
   31    HA3  GLY   7           2HA      GLY   7  -9.516 -12.662  -1.879
   32    H    ARG   8           H        ARG   8  -8.361 -11.274  -3.324
   33    HA   ARG   8           HA       ARG   8  -5.404 -11.705  -3.419
   34    HB2  ARG   8           1HB      ARG   8  -7.152 -10.700  -5.707
   35    HB3  ARG   8           2HB      ARG   8  -5.388 -10.634  -5.681
   36    HG2  ARG   8           1HG      ARG   8  -5.310 -13.124  -5.445
   37    HG3  ARG   8           2HG      ARG   8  -7.067 -13.182  -5.637
   38    HD2  ARG   8           1HD      ARG   8  -5.112 -12.033  -7.673
   39    HD3  ARG   8           2HD      ARG   8  -5.805 -13.664  -7.732
   40    HE   ARG   8           HE       ARG   8  -7.995 -11.920  -7.572
   41   HH11  ARG   8          1HH1      ARG   8  -5.446 -12.514  -9.900
   42   HH12  ARG   8          2HH1      ARG   8  -6.424 -11.987 -11.244
   43   HH21  ARG   8          2HH2      ARG   8  -9.186 -11.252  -9.327
   44   HH22  ARG   8          1HH2      ARG   8  -8.487 -11.297 -10.919
   45    H    ALA   9           H        ALA   9  -4.177  -9.756  -3.746
   46    HA   ALA   9           HA       ALA   9  -5.419  -7.197  -2.903
   47    HB1  ALA   9           1HB      ALA   9  -3.648  -6.917  -1.181
   48    HB2  ALA   9           2HB      ALA   9  -4.722  -8.282  -0.802
   49    HB3  ALA   9           3HB      ALA   9  -3.094  -8.571  -1.478
   50    H    MET  10           H        MET  10  -3.870  -5.397  -3.014
   51    HA   MET  10           HA       MET  10  -2.056  -5.547  -5.345
   52    HB2  MET  10           1HB      MET  10  -2.267  -3.281  -5.491
   53    HB3  MET  10           2HB      MET  10  -3.788  -3.658  -4.687
   54    HG2  MET  10           1HG      MET  10  -3.078  -1.851  -3.482
   55    HG3  MET  10           2HG      MET  10  -2.511  -3.174  -2.478
   56    HE1  MET  10           3HE      MET  10   0.776  -1.691  -1.625
   57    HE2  MET  10           1HE      MET  10  -0.911  -1.846  -1.125
   58    HE3  MET  10           2HE      MET  10   0.008  -3.288  -1.610
   59    H    LYS  11           H        LYS  11   0.212  -5.039  -5.145
   60    HA   LYS  11           HA       LYS  11   1.344  -5.196  -2.375
   61    HB2  LYS  11           1HB      LYS  11   1.843  -7.154  -3.983
   62    HB3  LYS  11           2HB      LYS  11   2.874  -6.015  -4.849
   63    HG2  LYS  11           1HG      LYS  11   4.122  -5.589  -2.669
   64    HG3  LYS  11           2HG      LYS  11   3.080  -6.775  -1.889
   65    HD2  LYS  11           1HD      LYS  11   5.065  -7.971  -2.399
   66    HD3  LYS  11           2HD      LYS  11   3.901  -8.469  -3.619
   67    HE2  LYS  11           1HE      LYS  11   5.884  -8.102  -4.816
   68    HE3  LYS  11           2HE      LYS  11   4.887  -6.686  -5.154
   69    HZ1  LYS  11           3HZ      LYS  11   6.216  -5.506  -3.383
   70    HZ2  LYS  11           1HZ      LYS  11   7.154  -6.022  -4.623
   71    HZ3  LYS  11           2HZ      LYS  11   7.143  -6.844  -3.211
   72    H    CYS  12           H        CYS  12   2.779  -3.738  -1.754
   73    HA   CYS  12           HA       CYS  12   2.709  -1.144  -2.683
   74    HB2  CYS  12           1HB      CYS  12   3.277  -1.877  -0.454
   75    HB3  CYS  12           2HB      CYS  12   4.729  -2.696  -1.038
   76    HA   PRO  13           HA       PRO  13   5.566  -1.090  -6.101
   77    HB2  PRO  13           1HB      PRO  13   5.867   1.649  -6.414
   78    HB3  PRO  13           2HB      PRO  13   4.478   0.677  -6.972
   79    HG2  PRO  13           1HG      PRO  13   4.692   2.386  -4.506
   80    HG3  PRO  13           2HG      PRO  13   3.288   2.137  -5.583
   81    HD2  PRO  13           1HD      PRO  13   3.563   0.880  -3.173
   82    HD3  PRO  13           2HD      PRO  13   2.667   0.195  -4.557
   83    H    TYR  14           H        TYR  14   6.452  -0.256  -2.935
   84    HA   TYR  14           HA       TYR  14   9.354  -0.028  -3.692
   85    HB2  TYR  14           1HB      TYR  14   7.840   1.320  -1.454
   86    HB3  TYR  14           2HB      TYR  14   9.590   1.334  -1.606
   87    HD1  TYR  14           1HD      TYR  14   6.422   2.513  -3.094
   88    HD2  TYR  14           2HD      TYR  14  10.717   2.784  -3.185
   89    HE1  TYR  14           1HE      TYR  14   6.268   4.469  -4.659
   90    HE2  TYR  14           2HE      TYR  14  10.564   4.778  -4.680
   91    HH   TYR  14           HH       TYR  14   7.424   6.024  -5.875
   92    H    CYS  15           H        CYS  15   7.027  -1.630  -1.568
   93    HA   CYS  15           HA       CYS  15   9.212  -3.421  -0.670
   94    HB2  CYS  15           1HB      CYS  15   8.709  -3.330   1.609
   95    HB3  CYS  15           2HB      CYS  15   8.902  -1.677   1.067
   96    H    ASP  16           H        ASP  16   7.736  -5.027   1.026
   97    HA   ASP  16           HA       ASP  16   6.056  -6.501  -0.951
   98    HB2  ASP  16           1HB      ASP  16   7.793  -7.576   1.282
   99    HB3  ASP  16           2HB      ASP  16   6.747  -8.555   0.248
  100    H    PHE  17           H        PHE  17   5.284  -4.428   1.228
  101    HA   PHE  17           HA       PHE  17   3.332  -5.944   2.798
  102    HB2  PHE  17           1HB      PHE  17   4.537  -3.814   3.502
  103    HB3  PHE  17           2HB      PHE  17   3.475  -2.945   2.401
  104    HD1  PHE  17           2HD      PHE  17   1.053  -2.746   2.910
  105    HD2  PHE  17           1HD      PHE  17   3.729  -4.806   5.583
  106    HE1  PHE  17           2HE      PHE  17  -0.658  -2.629   4.705
  107    HE2  PHE  17           1HE      PHE  17   2.016  -4.697   7.380
  108    HZ   PHE  17           HZ       PHE  17  -0.179  -3.605   6.946
  109    H    TYR  18           H        TYR  18   1.098  -5.973   2.538
  110    HA   TYR  18           HA       TYR  18   0.096  -5.365  -0.200
  111    HB2  TYR  18           1HB      TYR  18  -0.771  -7.510   1.760
  112    HB3  TYR  18           2HB      TYR  18  -1.500  -7.211   0.192
  113    HD1  TYR  18           2HD      TYR  18  -0.317  -7.742  -1.906
  114    HD2  TYR  18           1HD      TYR  18   1.419  -8.608   1.946
  115    HE1  TYR  18           2HE      TYR  18   1.392  -9.165  -3.000
  116    HE2  TYR  18           1HE      TYR  18   3.113 -10.046   0.859
  117    HH   TYR  18           HH       TYR  18   3.895 -10.929  -1.115
  118    H    PHE  19           H        PHE  19  -1.918  -4.555  -0.569
  119    HA   PHE  19           HA       PHE  19  -3.688  -3.869   1.737
  120    HB2  PHE  19           1HB      PHE  19  -2.963  -1.973  -0.526
  121    HB3  PHE  19           2HB      PHE  19  -4.389  -1.824   0.452
  122    HD1  PHE  19           1HD      PHE  19  -0.640  -2.088   1.042
  123    HD2  PHE  19           2HD      PHE  19  -4.406  -0.284   2.129
  124    HE1  PHE  19           1HE      PHE  19   0.543  -0.507   2.538
  125    HE2  PHE  19           2HE      PHE  19  -3.217   1.257   3.653
  126    HZ   PHE  19           HZ       PHE  19  -0.745   1.156   3.861
  127    H    MET  20           H        MET  20  -5.785  -4.454   1.397
  128    HA   MET  20           HA       MET  20  -6.513  -5.861  -1.044
  129    HB2  MET  20           1HB      MET  20  -7.237  -6.519   1.206
  130    HB3  MET  20           2HB      MET  20  -8.193  -5.046   1.363
  131    HG2  MET  20           1HG      MET  20  -8.633  -6.978  -0.935
  132    HG3  MET  20           2HG      MET  20  -9.295  -7.327   0.653
  133    HE1  MET  20           3HE      MET  20 -12.094  -4.780   1.227
  134    HE2  MET  20           1HE      MET  20 -11.318  -6.291   1.740
  135    HE3  MET  20           2HE      MET  20 -10.452  -4.746   1.906
  136    H    LYS  21           H        LYS  21  -7.082  -2.621   0.211
  137    HA   LYS  21           HA       LYS  21  -8.652  -1.838  -2.220
  138    HB2  LYS  21           1HB      LYS  21  -8.477  -0.500   0.513
  139    HB3  LYS  21           2HB      LYS  21  -9.405   0.092  -0.869
  140    HG2  LYS  21           1HG      LYS  21 -10.787  -1.988  -0.822
  141    HG3  LYS  21           2HG      LYS  21  -9.901  -2.520   0.623
  142    HD2  LYS  21           1HD      LYS  21 -10.629  -0.470   1.826
  143    HD3  LYS  21           2HD      LYS  21 -11.538   0.044   0.389
  144    HE2  LYS  21           1HE      LYS  21 -12.906  -2.032   0.523
  145    HE3  LYS  21           2HE      LYS  21 -12.008  -2.526   1.966
  146    HZ1  LYS  21           3HZ      LYS  21 -12.845  -0.530   3.090
  147    HZ2  LYS  21           1HZ      LYS  21 -14.096  -1.431   2.556
  148    HZ3  LYS  21           2HZ      LYS  21 -13.675  -0.072   1.759
  149    H    ASN  22           H        ASN  22  -8.226   0.187  -3.180
  150    HA   ASN  22           HA       ASN  22  -5.472   1.301  -2.796
  151    HB2  ASN  22           1HB      ASN  22  -5.943   0.324  -5.043
  152    HB3  ASN  22           2HB      ASN  22  -7.296   1.442  -5.232
  153   HD21  ASN  22          1HD2      ASN  22  -5.849   1.831  -7.245
  154   HD22  ASN  22          2HD2      ASN  22  -4.655   3.110  -7.059
  155    H    GLY  23           H        GLY  23  -5.303   3.436  -2.150
  156    HA2  GLY  23           1HA      GLY  23  -7.172   5.507  -2.352
  157    HA3  GLY  23           2HA      GLY  23  -7.605   4.630  -0.885
  158    H    SER  24           H        SER  24  -7.159   6.733   0.104
  159    HA   SER  24           HA       SER  24  -4.684   8.069   0.024
  160    HB2  SER  24           1HB      SER  24  -5.510   9.231   2.070
  161    HB3  SER  24           2HB      SER  24  -6.669   9.191   0.729
  162    HG   SER  24           HG       SER  24  -7.652   8.656   2.741
  163    H    ASP  25           H        ASP  25  -5.715   5.508   2.324
  164    HA   ASP  25           HA       ASP  25  -3.461   5.843   4.054
  165    HB2  ASP  25           1HB      ASP  25  -5.682   4.698   4.536
  166    HB3  ASP  25           2HB      ASP  25  -5.062   3.296   3.660
  167    H    LEU  26           H        LEU  26  -3.843   3.950   1.089
  168    HA   LEU  26           HA       LEU  26  -1.212   2.671   1.260
  169    HB2  LEU  26           1HB      LEU  26  -2.930   1.584  -0.037
  170    HB3  LEU  26           2HB      LEU  26  -3.219   3.038  -0.991
  171    HG   LEU  26           HG       LEU  26  -1.003   2.862  -2.034
  172   HD11  LEU  26          1HD1      LEU  26   0.360   0.804  -1.749
  173   HD12  LEU  26          2HD1      LEU  26  -0.702   0.310  -0.411
  174   HD13  LEU  26          3HD1      LEU  26   0.307   1.756  -0.266
  175   HD21  LEU  26          3HD2      LEU  26  -2.550   0.245  -2.155
  176   HD22  LEU  26          1HD2      LEU  26  -1.416   0.870  -3.374
  177   HD23  LEU  26          2HD2      LEU  26  -2.931   1.728  -3.061
  178    H    GLN  27           H        GLN  27  -2.572   5.642  -0.308
  179    HA   GLN  27           HA       GLN  27  -0.163   6.382  -1.590
  180    HB2  GLN  27           1HB      GLN  27  -2.396   7.261  -2.135
  181    HB3  GLN  27           2HB      GLN  27  -2.468   8.084  -0.573
  182    HG2  GLN  27           1HG      GLN  27  -1.923   9.650  -2.332
  183    HG3  GLN  27           2HG      GLN  27  -0.595   9.509  -1.188
  184   HE21  GLN  27          1HE2      GLN  27   1.402   8.440  -1.899
  185   HE22  GLN  27          2HE2      GLN  27   1.706   8.233  -3.624
  186    H    ARG  28           H        ARG  28  -1.263   7.031   1.751
  187    HA   ARG  28           HA       ARG  28   1.008   8.611   2.606
  188    HB2  ARG  28           1HB      ARG  28  -0.868   6.723   4.100
  189    HB3  ARG  28           2HB      ARG  28   0.342   7.713   4.910
  190    HG2  ARG  28           1HG      ARG  28  -1.759   8.933   3.101
  191    HG3  ARG  28           2HG      ARG  28  -2.081   8.569   4.800
  192    HD2  ARG  28           1HD      ARG  28  -0.274  10.046   5.515
  193    HD3  ARG  28           2HD      ARG  28   0.202  10.340   3.835
  194    HE   ARG  28           HE       ARG  28  -2.556  11.036   4.191
  195   HH11  ARG  28          2HH1      ARG  28   0.600  12.298   5.044
  196   HH12  ARG  28          1HH1      ARG  28   0.031  13.945   5.080
  197   HH21  ARG  28          2HH2      ARG  28  -3.216  13.157   4.265
  198   HH22  ARG  28          1HH2      ARG  28  -2.075  14.408   4.656
  199    H    HIS  29           H        HIS  29   0.415   5.105   2.788
  200    HA   HIS  29           HA       HIS  29   2.941   4.350   3.861
  201    HB2  HIS  29           1HB      HIS  29   1.049   2.819   3.725
  202    HB3  HIS  29           2HB      HIS  29   1.106   2.830   1.966
  203    HD1  HIS  29           1HD      HIS  29   2.853   1.236   4.948
  204    HD2  HIS  29           2HD      HIS  29   3.131   1.481   0.762
  205    HE1  HIS  29           1HE      HIS  29   4.513  -0.558   4.261
  206    H    ILE  30           H        ILE  30   2.059   4.935   0.439
  207    HA   ILE  30           HA       ILE  30   4.693   4.302  -0.591
  208    HB   ILE  30           HB       ILE  30   2.280   5.757  -1.714
  209   HG12  ILE  30          1HG1      ILE  30   3.558   3.082  -2.454
  210   HG13  ILE  30          2HG1      ILE  30   2.241   3.233  -1.297
  211   HG21  ILE  30          1HG2      ILE  30   4.193   6.767  -2.809
  212   HG22  ILE  30          2HG2      ILE  30   4.948   5.178  -3.040
  213   HG23  ILE  30          3HG2      ILE  30   3.484   5.628  -3.945
  214   HD11  ILE  30          3HD1      ILE  30   0.859   4.358  -3.052
  215   HD12  ILE  30          1HD1      ILE  30   2.118   3.936  -4.242
  216   HD13  ILE  30          2HD1      ILE  30   1.258   2.650  -3.388
  217    H    TRP  31           H        TRP  31   3.088   7.453   0.022
  218    HA   TRP  31           HA       TRP  31   5.260   9.157  -0.536
  219    HB2  TRP  31           1HB      TRP  31   2.994   9.313   1.457
  220    HB3  TRP  31           2HB      TRP  31   4.191  10.582   1.357
  221    HD1  TRP  31           1HD      TRP  31   4.338  10.367  -1.971
  222    HE1  TRP  31           1HE      TRP  31   2.570  11.619  -3.265
  223    HE3  TRP  31           3HE      TRP  31   0.839  10.863   1.739
  224    HZ2  TRP  31           2HZ      TRP  31  -0.063  12.755  -2.780
  225    HZ3  TRP  31           3HZ      TRP  31  -1.302  12.047   1.289
  226    HH2  TRP  31           2HH      TRP  31  -1.761  12.995  -0.961
  227    H    ALA  32           H        ALA  32   4.843   7.083   2.284
  228    HA   ALA  32           HA       ALA  32   6.967   8.249   3.853
  229    HB1  ALA  32           1HB      ALA  32   6.732   6.204   5.207
  230    HB2  ALA  32           2HB      ALA  32   5.137   6.870   4.802
  231    HB3  ALA  32           3HB      ALA  32   5.757   5.449   3.930
  232    H    HIS  33           H        HIS  33   6.933   5.641   1.385
  233    HA   HIS  33           HA       HIS  33   9.766   4.980   1.684
  234    HB2  HIS  33           1HB      HIS  33   7.796   4.473  -0.581
  235    HB3  HIS  33           2HB      HIS  33   9.439   3.860  -0.509
  236    HD1  HIS  33           1HD      HIS  33   9.886   2.281   1.886
  237    HD2  HIS  33           2HD      HIS  33   6.072   2.716   0.182
  238    HE1  HIS  33           1HE      HIS  33   8.557   0.261   2.649
  239    H    GLU  34           H        GLU  34   7.878   7.211  -0.379
  240    HA   GLU  34           HA       GLU  34  10.178   8.264  -1.797
  241    HB2  GLU  34           1HB      GLU  34   7.397   9.406  -1.337
  242    HB3  GLU  34           2HB      GLU  34   8.620  10.125  -2.390
  243    HG2  GLU  34           1HG      GLU  34   8.715   7.960  -3.674
  244    HG3  GLU  34           2HG      GLU  34   7.327   7.393  -2.740
  245    H    GLY  35           H        GLY  35   9.438   8.575   1.477
  246    HA2  GLY  35           1HA      GLY  35  10.555   9.716   3.120
  247    HA3  GLY  35           2HA      GLY  35  11.583  10.456   1.892
  248    H    VAL  36           H        VAL  36   8.081  10.864   1.765
  249    HA   VAL  36           HA       VAL  36   8.243  13.737   1.745
  250    HB   VAL  36           HB       VAL  36   5.840  11.913   2.099
  251   HG11  VAL  36          1HG1      VAL  36   5.233  14.187   2.773
  252   HG12  VAL  36          2HG1      VAL  36   5.962  14.850   1.289
  253   HG13  VAL  36          3HG1      VAL  36   4.519  13.816   1.206
  254   HG21  VAL  36          3HG2      VAL  36   5.489  12.303  -0.329
  255   HG22  VAL  36          1HG2      VAL  36   7.004  13.228  -0.402
  256   HG23  VAL  36          2HG2      VAL  36   7.026  11.492  -0.036
  257    H    LYS  37           H        LYS  37   7.831  15.251   3.279
  258    HA   LYS  37           HA       LYS  37   8.053  14.401   6.107
  259    HB2  LYS  37           1HB      LYS  37   8.321  17.186   4.925
  260    HB3  LYS  37           2HB      LYS  37   8.758  16.672   6.549
  261    HG2  LYS  37           1HG      LYS  37  10.125  15.895   3.945
  262    HG3  LYS  37           2HG      LYS  37  10.753  16.941   5.218
  263    HD2  LYS  37           1HD      LYS  37  10.744  14.989   6.793
  264    HD3  LYS  37           2HD      LYS  37  10.243  13.936   5.463
  265    HE2  LYS  37           1HE      LYS  37  12.827  15.555   5.594
  266    HE3  LYS  37           2HE      LYS  37  12.668  13.823   5.903
  267    HZ1  LYS  37           3HZ      LYS  37  12.202  15.177   3.305
  268    HZ2  LYS  37           1HZ      LYS  37  11.832  13.608   3.574
  269    HZ3  LYS  37           2HZ      LYS  37  13.390  14.116   3.656
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1   9.363 -18.790   1.986
    2    H2   GLY   1           2H       GLY   1   9.636 -17.725   0.771
    3    H3   GLY   1           3H       GLY   1   8.764 -19.085   0.493
    4    HA2  GLY   1           1HA      GLY   1   7.953 -16.856   2.246
    5    HA3  GLY   1           2HA      GLY   1   7.301 -17.177   0.629
    6    H    SER   2           H        SER   2   5.366 -17.024   2.268
    7    HA   SER   2           HA       SER   2   4.391 -19.773   2.759
    8    HB2  SER   2           1HB      SER   2   3.617 -19.194   5.032
    9    HB3  SER   2           2HB      SER   2   5.380 -19.185   4.896
   10    HG   SER   2           HG       SER   2   4.590 -17.356   6.039
   11    H    SER   3           H        SER   3   2.069 -19.862   3.191
   12    HA   SER   3           HA       SER   3   0.558 -18.280   1.353
   13    HB2  SER   3           1HB      SER   3  -0.427 -20.127   3.560
   14    HB3  SER   3           2HB      SER   3  -1.371 -19.546   2.174
   15    HG   SER   3           HG       SER   3  -0.491 -21.645   1.817
   16    H    GLY   4           H        GLY   4  -1.182 -16.848   1.678
   17    HA2  GLY   4           1HA      GLY   4  -2.115 -15.839   4.173
   18    HA3  GLY   4           2HA      GLY   4  -0.820 -14.791   3.593
   19    H    SER   5           H        SER   5  -2.671 -13.252   3.684
   20    HA   SER   5           HA       SER   5  -4.876 -13.416   1.880
   21    HB2  SER   5           1HB      SER   5  -3.788 -10.976   3.323
   22    HB3  SER   5           2HB      SER   5  -5.425 -11.187   2.671
   23    HG   SER   5           HG       SER   5  -5.333 -11.614   4.925
   24    H    SER   6           H        SER   6  -1.858 -13.066   0.799
   25    HA   SER   6           HA       SER   6  -1.763 -10.732  -0.785
   26    HB2  SER   6           1HB      SER   6  -0.433 -13.395  -1.385
   27    HB3  SER   6           2HB      SER   6   0.143 -11.780  -1.826
   28    HG   SER   6           HG       SER   6   0.545 -11.364   0.347
   29    H    GLY   7           H        GLY   7  -3.512 -13.698  -1.424
   30    HA2  GLY   7           1HA      GLY   7  -3.457 -13.828  -4.245
   31    HA3  GLY   7           2HA      GLY   7  -4.756 -14.442  -3.225
   32    H    ARG   8           H        ARG   8  -4.126 -12.456  -5.722
   33    HA   ARG   8           HA       ARG   8  -5.046 -10.696  -6.819
   34    HB2  ARG   8           1HB      ARG   8  -7.620 -11.463  -5.403
   35    HB3  ARG   8           2HB      ARG   8  -7.485 -10.504  -6.865
   36    HG2  ARG   8           1HG      ARG   8  -6.773 -13.449  -6.569
   37    HG3  ARG   8           2HG      ARG   8  -8.178 -12.780  -7.385
   38    HD2  ARG   8           1HD      ARG   8  -5.279 -12.428  -8.255
   39    HD3  ARG   8           2HD      ARG   8  -6.464 -13.523  -8.976
   40    HE   ARG   8           HE       ARG   8  -7.634 -10.980  -9.095
   41   HH11  ARG   8          2HH1      ARG   8  -4.805 -12.487 -10.510
   42   HH12  ARG   8          1HH1      ARG   8  -4.827 -11.435 -11.900
   43   HH21  ARG   8          2HH2      ARG   8  -7.600  -9.667 -10.887
   44   HH22  ARG   8          1HH2      ARG   8  -6.375  -9.887 -12.103
   45    H    ALA   9           H        ALA   9  -4.001 -10.155  -4.006
   46    HA   ALA   9           HA       ALA   9  -5.367  -7.600  -3.363
   47    HB1  ALA   9           1HB      ALA   9  -3.930  -7.619  -1.390
   48    HB2  ALA   9           2HB      ALA   9  -4.727  -9.192  -1.558
   49    HB3  ALA   9           3HB      ALA   9  -3.019  -8.999  -2.021
   50    H    MET  10           H        MET  10  -4.100  -5.718  -2.913
   51    HA   MET  10           HA       MET  10  -2.427  -4.914  -5.181
   52    HB2  MET  10           1HB      MET  10  -4.275  -3.603  -3.872
   53    HB3  MET  10           2HB      MET  10  -3.049  -3.361  -2.639
   54    HG2  MET  10           1HG      MET  10  -2.954  -2.508  -5.537
   55    HG3  MET  10           2HG      MET  10  -3.303  -1.475  -4.156
   56    HE1  MET  10           3HE      MET  10  -1.418  -1.473  -2.045
   57    HE2  MET  10           1HE      MET  10  -0.481  -2.966  -2.287
   58    HE3  MET  10           2HE      MET  10   0.318  -1.404  -2.399
   59    H    LYS  11           H        LYS  11  -0.170  -4.783  -5.109
   60    HA   LYS  11           HA       LYS  11   1.209  -5.252  -2.490
   61    HB2  LYS  11           1HB      LYS  11   1.500  -7.017  -4.316
   62    HB3  LYS  11           2HB      LYS  11   2.417  -5.807  -5.220
   63    HG2  LYS  11           1HG      LYS  11   3.989  -5.557  -3.309
   64    HG3  LYS  11           2HG      LYS  11   3.016  -6.689  -2.357
   65    HD2  LYS  11           1HD      LYS  11   3.503  -8.458  -4.098
   66    HD3  LYS  11           2HD      LYS  11   4.627  -7.314  -4.873
   67    HE2  LYS  11           1HE      LYS  11   5.918  -7.116  -2.798
   68    HE3  LYS  11           2HE      LYS  11   4.728  -8.092  -1.926
   69    HZ1  LYS  11           3HZ      LYS  11   5.332  -9.970  -3.362
   70    HZ2  LYS  11           1HZ      LYS  11   6.582  -9.434  -2.450
   71    HZ3  LYS  11           2HZ      LYS  11   6.525  -9.084  -4.061
   72    H    CYS  12           H        CYS  12   2.563  -3.757  -1.738
   73    HA   CYS  12           HA       CYS  12   2.539  -1.118  -2.639
   74    HB2  CYS  12           1HB      CYS  12   3.018  -1.777  -0.374
   75    HB3  CYS  12           2HB      CYS  12   4.442  -2.695  -0.880
   76    HA   PRO  13           HA       PRO  13   5.472  -1.250  -5.972
   77    HB2  PRO  13           1HB      PRO  13   5.830   1.466  -6.417
   78    HB3  PRO  13           2HB      PRO  13   4.436   0.486  -6.952
   79    HG2  PRO  13           1HG      PRO  13   4.627   2.336  -4.594
   80    HG3  PRO  13           2HG      PRO  13   3.233   2.016  -5.662
   81    HD2  PRO  13           1HD      PRO  13   3.526   0.920  -3.158
   82    HD3  PRO  13           2HD      PRO  13   2.581   0.180  -4.480
   83    H    TYR  14           H        TYR  14   6.355  -0.371  -2.845
   84    HA   TYR  14           HA       TYR  14   9.263  -0.145  -3.587
   85    HB2  TYR  14           1HB      TYR  14   7.729   1.234  -1.386
   86    HB3  TYR  14           2HB      TYR  14   9.479   1.249  -1.517
   87    HD1  TYR  14           1HD      TYR  14   6.334   2.327  -3.154
   88    HD2  TYR  14           2HD      TYR  14  10.610   2.784  -2.974
   89    HE1  TYR  14           1HE      TYR  14   6.201   4.273  -4.739
   90    HE2  TYR  14           2HE      TYR  14  10.465   4.784  -4.456
   91    HH   TYR  14           HH       TYR  14   9.097   6.132  -5.691
   92    H    CYS  15           H        CYS  15   6.927  -1.731  -1.447
   93    HA   CYS  15           HA       CYS  15   9.137  -3.428  -0.430
   94    HB2  CYS  15           1HB      CYS  15   8.570  -3.249   1.836
   95    HB3  CYS  15           2HB      CYS  15   8.751  -1.617   1.223
   96    H    ASP  16           H        ASP  16   8.056  -5.194   1.102
   97    HA   ASP  16           HA       ASP  16   6.667  -6.840  -0.843
   98    HB2  ASP  16           1HB      ASP  16   8.643  -7.508   0.591
   99    HB3  ASP  16           2HB      ASP  16   7.537  -7.576   1.963
  100    H    PHE  17           H        PHE  17   5.378  -4.704   1.356
  101    HA   PHE  17           HA       PHE  17   3.391  -6.396   2.603
  102    HB2  PHE  17           1HB      PHE  17   4.515  -4.451   3.671
  103    HB3  PHE  17           2HB      PHE  17   3.642  -3.377   2.583
  104    HD1  PHE  17           1HD      PHE  17   2.918  -6.224   4.977
  105    HD2  PHE  17           2HD      PHE  17   1.723  -2.361   3.476
  106    HE1  PHE  17           1HE      PHE  17   1.026  -6.178   6.586
  107    HE2  PHE  17           2HE      PHE  17  -0.167  -2.320   5.080
  108    HZ   PHE  17           HZ       PHE  17  -0.519  -4.230   6.640
  109    H    TYR  18           H        TYR  18   1.156  -6.286   2.520
  110    HA   TYR  18           HA       TYR  18   0.032  -5.604  -0.139
  111    HB2  TYR  18           1HB      TYR  18  -0.721  -7.752   1.866
  112    HB3  TYR  18           2HB      TYR  18  -1.635  -7.399   0.403
  113    HD1  TYR  18           2HD      TYR  18  -0.625  -7.669  -1.843
  114    HD2  TYR  18           1HD      TYR  18   1.397  -8.971   1.736
  115    HE1  TYR  18           2HE      TYR  18   1.007  -8.874  -3.223
  116    HE2  TYR  18           1HE      TYR  18   3.014 -10.237   0.360
  117    HH   TYR  18           HH       TYR  18   3.592 -10.929  -1.737
  118    H    PHE  19           H        PHE  19  -2.012  -4.878  -0.436
  119    HA   PHE  19           HA       PHE  19  -3.622  -3.914   1.879
  120    HB2  PHE  19           1HB      PHE  19  -2.962  -2.302  -0.615
  121    HB3  PHE  19           2HB      PHE  19  -4.189  -1.876   0.552
  122    HD1  PHE  19           1HD      PHE  19  -0.477  -2.435   0.222
  123    HD2  PHE  19           2HD      PHE  19  -3.667  -0.544   2.429
  124    HE1  PHE  19           1HE      PHE  19   1.186  -1.106   1.488
  125    HE2  PHE  19           2HE      PHE  19  -1.994   0.776   3.699
  126    HZ   PHE  19           HZ       PHE  19   0.429   0.489   3.244
  127    H    MET  20           H        MET  20  -5.878  -4.003   1.533
  128    HA   MET  20           HA       MET  20  -6.742  -5.927  -0.460
  129    HB2  MET  20           1HB      MET  20  -8.941  -5.693   0.511
  130    HB3  MET  20           2HB      MET  20  -7.716  -5.896   1.762
  131    HG2  MET  20           1HG      MET  20  -7.769  -3.465   2.228
  132    HG3  MET  20           2HG      MET  20  -8.994  -3.238   0.980
  133    HE1  MET  20           3HE      MET  20 -11.118  -5.522   1.309
  134    HE2  MET  20           1HE      MET  20 -12.210  -4.759   2.482
  135    HE3  MET  20           2HE      MET  20 -11.487  -3.784   1.184
  136    H    LYS  21           H        LYS  21  -6.834  -2.427  -0.315
  137    HA   LYS  21           HA       LYS  21  -7.804  -2.179  -3.099
  138    HB2  LYS  21           1HB      LYS  21  -9.202  -0.896  -0.696
  139    HB3  LYS  21           2HB      LYS  21  -9.454  -0.408  -2.372
  140    HG2  LYS  21           1HG      LYS  21 -10.265  -2.712  -2.909
  141    HG3  LYS  21           2HG      LYS  21 -10.141  -3.125  -1.185
  142    HD2  LYS  21           1HD      LYS  21 -11.737  -1.325  -0.620
  143    HD3  LYS  21           2HD      LYS  21 -11.863  -0.892  -2.341
  144    HE2  LYS  21           1HE      LYS  21 -12.697  -3.177  -2.851
  145    HE3  LYS  21           2HE      LYS  21 -12.584  -3.606  -1.138
  146    HZ1  LYS  21           3HZ      LYS  21 -14.341  -1.479  -2.252
  147    HZ2  LYS  21           1HZ      LYS  21 -14.237  -1.869  -0.668
  148    HZ3  LYS  21           2HZ      LYS  21 -14.843  -2.942  -1.737
  149    H    ASN  22           H        ASN  22  -7.540   0.008  -3.921
  150    HA   ASN  22           HA       ASN  22  -5.210   1.456  -2.874
  151    HB2  ASN  22           1HB      ASN  22  -5.675   1.118  -5.324
  152    HB3  ASN  22           2HB      ASN  22  -7.114   2.124  -5.161
  153   HD21  ASN  22          1HD2      ASN  22  -5.882   3.272  -6.965
  154   HD22  ASN  22          2HD2      ASN  22  -4.734   4.499  -6.449
  155    H    GLY  23           H        GLY  23  -5.274   3.657  -2.115
  156    HA2  GLY  23           1HA      GLY  23  -7.475   5.285  -1.637
  157    HA3  GLY  23           2HA      GLY  23  -7.408   4.211  -0.237
  158    H    SER  24           H        SER  24  -7.176   6.649   0.522
  159    HA   SER  24           HA       SER  24  -4.759   8.064   0.207
  160    HB2  SER  24           1HB      SER  24  -5.497   9.317   2.227
  161    HB3  SER  24           2HB      SER  24  -6.742   9.153   0.979
  162    HG   SER  24           HG       SER  24  -7.557   8.708   3.088
  163    H    ASP  25           H        ASP  25  -5.498   5.476   2.522
  164    HA   ASP  25           HA       ASP  25  -3.166   5.876   4.169
  165    HB2  ASP  25           1HB      ASP  25  -5.254   4.650   4.814
  166    HB3  ASP  25           2HB      ASP  25  -4.783   3.340   3.729
  167    H    LEU  26           H        LEU  26  -3.727   3.910   1.229
  168    HA   LEU  26           HA       LEU  26  -1.053   2.759   1.170
  169    HB2  LEU  26           1HB      LEU  26  -2.830   1.647  -0.036
  170    HB3  LEU  26           2HB      LEU  26  -3.199   3.109  -0.954
  171    HG   LEU  26           HG       LEU  26  -1.004   2.995  -2.091
  172   HD11  LEU  26          1HD1      LEU  26   0.382   0.958  -1.917
  173   HD12  LEU  26          2HD1      LEU  26  -0.658   0.369  -0.605
  174   HD13  LEU  26          3HD1      LEU  26   0.341   1.816  -0.376
  175   HD21  LEU  26          3HD2      LEU  26  -1.449   0.984  -3.442
  176   HD22  LEU  26          1HD2      LEU  26  -2.904   1.941  -3.147
  177   HD23  LEU  26          2HD2      LEU  26  -2.642   0.443  -2.231
  178    H    GLN  27           H        GLN  27  -2.604   5.651  -0.326
  179    HA   GLN  27           HA       GLN  27  -0.312   6.566  -1.746
  180    HB2  GLN  27           1HB      GLN  27  -2.590   8.127  -0.470
  181    HB3  GLN  27           2HB      GLN  27  -1.358   8.840  -1.511
  182    HG2  GLN  27           1HG      GLN  27  -2.001   7.414  -3.375
  183    HG3  GLN  27           2HG      GLN  27  -3.190   6.567  -2.390
  184   HE21  GLN  27          1HE2      GLN  27  -2.410   9.794  -3.791
  185   HE22  GLN  27          2HE2      GLN  27  -4.080  10.340  -3.777
  186    H    ARG  28           H        ARG  28  -1.284   7.271   1.663
  187    HA   ARG  28           HA       ARG  28   1.060   8.807   2.210
  188    HB2  ARG  28           1HB      ARG  28  -1.040   8.867   3.590
  189    HB3  ARG  28           2HB      ARG  28  -0.650   7.258   4.201
  190    HG2  ARG  28           1HG      ARG  28   0.032   8.883   5.853
  191    HG3  ARG  28           2HG      ARG  28   1.490   8.180   5.168
  192    HD2  ARG  28           1HD      ARG  28   1.464  10.270   3.553
  193    HD3  ARG  28           2HD      ARG  28   0.278  10.920   4.664
  194    HE   ARG  28           HE       ARG  28   1.946  11.254   6.262
  195   HH11  ARG  28          2HH1      ARG  28   3.444   9.219   3.803
  196   HH12  ARG  28          1HH1      ARG  28   5.003   9.969   4.062
  197   HH21  ARG  28          2HH2      ARG  28   4.006  12.026   6.577
  198   HH22  ARG  28          1HH2      ARG  28   5.301  11.520   5.525
  199    H    HIS  29           H        HIS  29   0.505   5.318   2.629
  200    HA   HIS  29           HA       HIS  29   3.035   4.672   3.777
  201    HB2  HIS  29           1HB      HIS  29   1.138   3.140   3.740
  202    HB3  HIS  29           2HB      HIS  29   1.157   3.085   1.982
  203    HD1  HIS  29           1HD      HIS  29   3.033   1.655   4.987
  204    HD2  HIS  29           2HD      HIS  29   2.983   1.542   0.785
  205    HE1  HIS  29           1HE      HIS  29   4.528  -0.290   4.332
  206    H    ILE  30           H        ILE  30   2.097   5.066   0.329
  207    HA   ILE  30           HA       ILE  30   4.733   4.400  -0.685
  208    HB   ILE  30           HB       ILE  30   2.303   5.806  -1.854
  209   HG12  ILE  30          1HG1      ILE  30   3.592   3.133  -2.561
  210   HG13  ILE  30          2HG1      ILE  30   2.304   3.286  -1.372
  211   HG21  ILE  30          1HG2      ILE  30   3.518   5.607  -4.085
  212   HG22  ILE  30          2HG2      ILE  30   4.178   6.813  -2.985
  213   HG23  ILE  30          3HG2      ILE  30   4.985   5.240  -3.149
  214   HD11  ILE  30          3HD1      ILE  30   2.077   3.965  -4.323
  215   HD12  ILE  30          1HD1      ILE  30   1.286   2.652  -3.445
  216   HD13  ILE  30          2HD1      ILE  30   0.845   4.346  -3.096
  217    H    TRP  31           H        TRP  31   3.092   7.539  -0.161
  218    HA   TRP  31           HA       TRP  31   5.283   9.231  -0.702
  219    HB2  TRP  31           1HB      TRP  31   2.974   9.472   1.227
  220    HB3  TRP  31           2HB      TRP  31   4.112  10.775   0.962
  221    HD1  TRP  31           1HD      TRP  31   4.332  10.280  -2.267
  222    HE1  TRP  31           1HE      TRP  31   2.453  11.059  -3.767
  223    HE3  TRP  31           3HE      TRP  31   0.633  10.785   1.263
  224    HZ2  TRP  31           2HZ      TRP  31  -0.333  11.829  -3.511
  225    HZ3  TRP  31           3HZ      TRP  31  -1.628  11.550   0.592
  226    HH2  TRP  31           2HH      TRP  31  -2.126  12.074  -1.784
  227    H    ALA  32           H        ALA  32   4.799   7.174   2.117
  228    HA   ALA  32           HA       ALA  32   6.892   8.390   3.728
  229    HB1  ALA  32           1HB      ALA  32   5.007   7.089   4.678
  230    HB2  ALA  32           2HB      ALA  32   5.621   5.626   3.876
  231    HB3  ALA  32           3HB      ALA  32   6.581   6.411   5.143
  232    H    HIS  33           H        HIS  33   6.841   5.658   1.379
  233    HA   HIS  33           HA       HIS  33   9.651   4.988   1.720
  234    HB2  HIS  33           1HB      HIS  33   7.716   4.504  -0.581
  235    HB3  HIS  33           2HB      HIS  33   9.353   3.875  -0.491
  236    HD1  HIS  33           1HD      HIS  33   9.754   2.322   1.939
  237    HD2  HIS  33           2HD      HIS  33   5.981   2.729   0.141
  238    HE1  HIS  33           1HE      HIS  33   8.414   0.304   2.687
  239    H    GLU  34           H        GLU  34   7.874   7.245  -0.395
  240    HA   GLU  34           HA       GLU  34  10.220   8.304  -1.732
  241    HB2  GLU  34           1HB      GLU  34   7.380   9.285  -1.343
  242    HB3  GLU  34           2HB      GLU  34   8.563  10.222  -2.240
  243    HG2  GLU  34           1HG      GLU  34   7.903   7.345  -2.977
  244    HG3  GLU  34           2HG      GLU  34   6.997   8.725  -3.584
  245    H    GLY  35           H        GLY  35   9.430   8.585   1.529
  246    HA2  GLY  35           1HA      GLY  35  10.482   9.759   3.190
  247    HA3  GLY  35           2HA      GLY  35  11.522  10.510   1.979
  248    H    VAL  36           H        VAL  36   7.999  10.837   1.867
  249    HA   VAL  36           HA       VAL  36   8.176  13.752   2.013
  250    HB   VAL  36           HB       VAL  36   5.741  11.964   1.787
  251   HG11  VAL  36          1HG1      VAL  36   6.085  14.933   1.206
  252   HG12  VAL  36          2HG1      VAL  36   4.642  13.967   0.823
  253   HG13  VAL  36          3HG1      VAL  36   5.100  14.214   2.506
  254   HG21  VAL  36          3HG2      VAL  36   7.335  13.371  -0.401
  255   HG22  VAL  36          1HG2      VAL  36   7.252  11.617  -0.144
  256   HG23  VAL  36          2HG2      VAL  36   5.805  12.495  -0.631
  257    H    LYS  37           H        LYS  37   7.631  15.056   3.620
  258    HA   LYS  37           HA       LYS  37   6.140  14.266   5.998
  259    HB2  LYS  37           1HB      LYS  37   7.820  14.886   7.599
  260    HB3  LYS  37           2HB      LYS  37   8.385  13.533   6.646
  261    HG2  LYS  37           1HG      LYS  37   9.283  16.427   6.215
  262    HG3  LYS  37           2HG      LYS  37  10.101  15.260   7.246
  263    HD2  LYS  37           1HD      LYS  37  10.378  13.750   5.250
  264    HD3  LYS  37           2HD      LYS  37   9.775  15.076   4.230
  265    HE2  LYS  37           1HE      LYS  37  11.607  16.530   5.025
  266    HE3  LYS  37           2HE      LYS  37  12.225  15.204   6.023
  267    HZ1  LYS  37           3HZ      LYS  37  11.992  15.153   3.059
  268    HZ2  LYS  37           1HZ      LYS  37  12.513  13.904   3.963
  269    HZ3  LYS  37           2HZ      LYS  37  13.388  15.286   3.898
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1   4.260 -20.879  -2.873
    2    H2   GLY   1           2H       GLY   1   2.894 -20.039  -2.526
    3    H3   GLY   1           3H       GLY   1   4.326 -19.573  -1.885
    4    HA2  GLY   1           1HA      GLY   1   5.192 -18.994  -4.050
    5    HA3  GLY   1           2HA      GLY   1   3.656 -19.524  -4.758
    6    H    SER   2           H        SER   2   4.944 -16.859  -4.858
    7    HA   SER   2           HA       SER   2   3.780 -15.003  -3.050
    8    HB2  SER   2           1HB      SER   2   4.455 -13.314  -4.754
    9    HB3  SER   2           2HB      SER   2   5.741 -14.454  -4.319
   10    HG   SER   2           HG       SER   2   5.587 -14.153  -6.596
   11    H    SER   3           H        SER   3   2.393 -16.432  -5.954
   12    HA   SER   3           HA       SER   3   0.234 -14.650  -6.440
   13    HB2  SER   3           1HB      SER   3  -0.855 -16.671  -7.431
   14    HB3  SER   3           2HB      SER   3   0.798 -16.385  -8.004
   15    HG   SER   3           HG       SER   3   0.423 -18.595  -7.444
   16    H    GLY   4           H        GLY   4   0.663 -17.012  -3.840
   17    HA2  GLY   4           1HA      GLY   4  -2.077 -17.065  -2.912
   18    HA3  GLY   4           2HA      GLY   4  -0.630 -17.532  -2.011
   19    H    SER   5           H        SER   5   0.379 -14.621  -2.679
   20    HA   SER   5           HA       SER   5  -1.060 -13.213  -0.452
   21    HB2  SER   5           1HB      SER   5   1.754 -12.781  -1.513
   22    HB3  SER   5           2HB      SER   5   0.964 -11.877  -0.207
   23    HG   SER   5           HG       SER   5   1.505 -14.682  -0.221
   24    H    SER   6           H        SER   6   0.321 -12.709  -3.742
   25    HA   SER   6           HA       SER   6  -0.795 -10.052  -4.023
   26    HB2  SER   6           1HB      SER   6   0.281 -11.996  -6.097
   27    HB3  SER   6           2HB      SER   6  -0.094 -10.287  -6.382
   28    HG   SER   6           HG       SER   6   2.136 -10.659  -5.911
   29    H    GLY   7           H        GLY   7  -2.202 -13.229  -4.540
   30    HA2  GLY   7           1HA      GLY   7  -4.035 -12.720  -6.608
   31    HA3  GLY   7           2HA      GLY   7  -4.261 -13.898  -5.316
   32    H    ARG   8           H        ARG   8  -5.728 -11.437  -6.782
   33    HA   ARG   8           HA       ARG   8  -7.282  -9.829  -6.376
   34    HB2  ARG   8           1HB      ARG   8  -8.109 -11.650  -4.087
   35    HB3  ARG   8           2HB      ARG   8  -9.091 -10.374  -4.814
   36    HG2  ARG   8           1HG      ARG   8  -9.014 -11.552  -7.003
   37    HG3  ARG   8           2HG      ARG   8  -8.099 -12.874  -6.248
   38    HD2  ARG   8           1HD      ARG   8  -9.962 -13.269  -4.671
   39    HD3  ARG   8           2HD      ARG   8 -10.882 -11.951  -5.427
   40    HE   ARG   8           HE       ARG   8 -10.133 -13.787  -7.464
   41   HH11  ARG   8          2HH1      ARG   8 -12.306 -13.746  -4.717
   42   HH12  ARG   8          1HH1      ARG   8 -13.385 -14.911  -5.435
   43   HH21  ARG   8          2HH2      ARG   8 -11.549 -15.269  -8.323
   44   HH22  ARG   8          1HH2      ARG   8 -12.961 -15.747  -7.425
   45    H    ALA   9           H        ALA   9  -4.698  -9.343  -5.166
   46    HA   ALA   9           HA       ALA   9  -5.458  -7.206  -3.237
   47    HB1  ALA   9           1HB      ALA   9  -3.621  -7.891  -1.750
   48    HB2  ALA   9           2HB      ALA   9  -4.771  -9.223  -1.946
   49    HB3  ALA   9           3HB      ALA   9  -3.228  -9.247  -2.828
   50    H    MET  10           H        MET  10  -3.540  -5.804  -2.752
   51    HA   MET  10           HA       MET  10  -2.100  -5.066  -5.273
   52    HB2  MET  10           1HB      MET  10  -3.896  -3.592  -4.107
   53    HB3  MET  10           2HB      MET  10  -2.699  -3.319  -2.859
   54    HG2  MET  10           1HG      MET  10  -2.523  -2.616  -5.807
   55    HG3  MET  10           2HG      MET  10  -2.826  -1.510  -4.481
   56    HE1  MET  10           3HE      MET  10  -0.959  -1.469  -2.383
   57    HE2  MET  10           1HE      MET  10  -0.089  -3.017  -2.511
   58    HE3  MET  10           2HE      MET  10   0.779  -1.500  -2.715
   59    H    LYS  11           H        LYS  11   0.167  -4.887  -5.196
   60    HA   LYS  11           HA       LYS  11   1.548  -5.350  -2.572
   61    HB2  LYS  11           1HB      LYS  11   1.753  -7.184  -4.309
   62    HB3  LYS  11           2HB      LYS  11   2.647  -6.047  -5.319
   63    HG2  LYS  11           1HG      LYS  11   4.356  -5.773  -3.546
   64    HG3  LYS  11           2HG      LYS  11   3.419  -6.819  -2.464
   65    HD2  LYS  11           1HD      LYS  11   3.678  -8.688  -4.124
   66    HD3  LYS  11           2HD      LYS  11   4.719  -7.634  -5.103
   67    HE2  LYS  11           1HE      LYS  11   6.314  -7.422  -3.252
   68    HE3  LYS  11           2HE      LYS  11   5.230  -8.323  -2.177
   69    HZ1  LYS  11           3HZ      LYS  11   6.974  -9.761  -3.071
   70    HZ2  LYS  11           1HZ      LYS  11   6.508  -9.456  -4.607
   71    HZ3  LYS  11           2HZ      LYS  11   5.508 -10.262  -3.591
   72    H    CYS  12           H        CYS  12   2.937  -3.868  -1.865
   73    HA   CYS  12           HA       CYS  12   2.928  -1.250  -2.775
   74    HB2  CYS  12           1HB      CYS  12   3.393  -1.938  -0.520
   75    HB3  CYS  12           2HB      CYS  12   4.839  -2.816  -1.024
   76    HA   PRO  13           HA       PRO  13   5.930  -1.237  -6.046
   77    HB2  PRO  13           1HB      PRO  13   6.253   1.478  -6.431
   78    HB3  PRO  13           2HB      PRO  13   4.861   0.504  -6.982
   79    HG2  PRO  13           1HG      PRO  13   5.045   2.322  -4.603
   80    HG3  PRO  13           2HG      PRO  13   3.649   1.988  -5.666
   81    HD2  PRO  13           1HD      PRO  13   4.038   0.872  -3.162
   82    HD3  PRO  13           2HD      PRO  13   3.003   0.183  -4.447
   83    H    TYR  14           H        TYR  14   6.724  -0.397  -2.874
   84    HA   TYR  14           HA       TYR  14   9.646  -0.104  -3.542
   85    HB2  TYR  14           1HB      TYR  14   8.021   1.156  -1.330
   86    HB3  TYR  14           2HB      TYR  14   9.775   1.180  -1.385
   87    HD1  TYR  14           1HD      TYR  14   6.700   2.356  -3.081
   88    HD2  TYR  14           2HD      TYR  14  10.977   2.736  -2.761
   89    HE1  TYR  14           1HE      TYR  14   6.636   4.382  -4.561
   90    HE2  TYR  14           2HE      TYR  14  10.902   4.802  -4.162
   91    HH   TYR  14           HH       TYR  14   7.849   6.029  -5.579
   92    H    CYS  15           H        CYS  15   7.293  -1.759  -1.462
   93    HA   CYS  15           HA       CYS  15   9.490  -3.497  -0.472
   94    HB2  CYS  15           1HB      CYS  15   8.888  -3.350   1.791
   95    HB3  CYS  15           2HB      CYS  15   9.094  -1.710   1.204
   96    H    ASP  16           H        ASP  16   8.312  -5.239   1.082
   97    HA   ASP  16           HA       ASP  16   6.807  -6.867  -0.828
   98    HB2  ASP  16           1HB      ASP  16   7.279  -8.696   0.655
   99    HB3  ASP  16           2HB      ASP  16   8.744  -7.768   0.386
  100    H    PHE  17           H        PHE  17   5.707  -4.598   1.328
  101    HA   PHE  17           HA       PHE  17   3.660  -6.097   2.692
  102    HB2  PHE  17           1HB      PHE  17   4.801  -4.029   3.514
  103    HB3  PHE  17           2HB      PHE  17   3.908  -3.103   2.311
  104    HD1  PHE  17           1HD      PHE  17   3.423  -5.451   5.215
  105    HD2  PHE  17           2HD      PHE  17   1.789  -2.218   2.878
  106    HE1  PHE  17           1HE      PHE  17   1.555  -5.218   6.840
  107    HE2  PHE  17           2HE      PHE  17  -0.072  -1.979   4.508
  108    HZ   PHE  17           HZ       PHE  17  -0.190  -3.479   6.490
  109    H    TYR  18           H        TYR  18   1.426  -6.023   2.516
  110    HA   TYR  18           HA       TYR  18   0.371  -5.534  -0.218
  111    HB2  TYR  18           1HB      TYR  18  -0.459  -7.536   1.905
  112    HB3  TYR  18           2HB      TYR  18  -1.311  -7.282   0.385
  113    HD1  TYR  18           2HD      TYR  18  -0.171  -7.672  -1.799
  114    HD2  TYR  18           1HD      TYR  18   1.614  -8.819   1.953
  115    HE1  TYR  18           2HE      TYR  18   1.530  -8.951  -3.018
  116    HE2  TYR  18           1HE      TYR  18   3.303 -10.155   0.739
  117    HH   TYR  18           HH       TYR  18   4.069 -10.870  -1.285
  118    H    PHE  19           H        PHE  19  -1.670  -4.799  -0.599
  119    HA   PHE  19           HA       PHE  19  -3.208  -3.570   1.646
  120    HB2  PHE  19           1HB      PHE  19  -2.233  -2.277  -0.875
  121    HB3  PHE  19           2HB      PHE  19  -3.827  -1.851  -0.308
  122    HD1  PHE  19           1HD      PHE  19  -0.224  -1.925   0.740
  123    HD2  PHE  19           2HD      PHE  19  -4.161  -0.308   1.439
  124    HE1  PHE  19           1HE      PHE  19   0.729  -0.260   2.322
  125    HE2  PHE  19           2HE      PHE  19  -3.202   1.325   3.039
  126    HZ   PHE  19           HZ       PHE  19  -0.768   1.344   3.494
  127    H    MET  20           H        MET  20  -5.346  -3.467   1.463
  128    HA   MET  20           HA       MET  20  -6.819  -4.754  -0.769
  129    HB2  MET  20           1HB      MET  20  -8.150  -6.064   0.890
  130    HB3  MET  20           2HB      MET  20  -6.469  -6.569   0.775
  131    HG2  MET  20           1HG      MET  20  -5.873  -5.567   2.833
  132    HG3  MET  20           2HG      MET  20  -7.342  -4.597   2.911
  133    HE1  MET  20           3HE      MET  20 -10.054  -6.826   4.274
  134    HE2  MET  20           1HE      MET  20  -9.422  -5.175   4.076
  135    HE3  MET  20           2HE      MET  20  -9.813  -6.156   2.645
  136    H    LYS  21           H        LYS  21  -6.458  -1.991   0.015
  137    HA   LYS  21           HA       LYS  21  -9.191  -1.089   0.852
  138    HB2  LYS  21           1HB      LYS  21  -6.473  -0.234   1.938
  139    HB3  LYS  21           2HB      LYS  21  -7.936   0.711   2.182
  140    HG2  LYS  21           1HG      LYS  21  -9.025  -1.080   3.385
  141    HG3  LYS  21           2HG      LYS  21  -7.673  -2.184   3.105
  142    HD2  LYS  21           1HD      LYS  21  -7.334   0.468   4.563
  143    HD3  LYS  21           2HD      LYS  21  -7.784  -1.028   5.397
  144    HE2  LYS  21           1HE      LYS  21  -5.762  -2.142   4.758
  145    HE3  LYS  21           2HE      LYS  21  -5.316  -0.854   3.629
  146    HZ1  LYS  21           3HZ      LYS  21  -4.106  -0.681   5.743
  147    HZ2  LYS  21           1HZ      LYS  21  -5.505  -0.455   6.562
  148    HZ3  LYS  21           2HZ      LYS  21  -5.004   0.652   5.452
  149    H    ASN  22           H        ASN  22  -9.377   1.340   0.543
  150    HA   ASN  22           HA       ASN  22  -9.097   2.007  -2.206
  151    HB2  ASN  22           1HB      ASN  22 -10.826   2.860  -0.571
  152    HB3  ASN  22           2HB      ASN  22  -9.575   3.869   0.160
  153   HD21  ASN  22          1HD2      ASN  22 -11.193   5.598  -0.416
  154   HD22  ASN  22          2HD2      ASN  22 -11.110   6.252  -2.047
  155    H    GLY  23           H        GLY  23  -7.838   3.588  -3.258
  156    HA2  GLY  23           1HA      GLY  23  -5.074   3.262  -2.886
  157    HA3  GLY  23           2HA      GLY  23  -5.833   4.439  -3.958
  158    H    SER  24           H        SER  24  -7.102   5.869  -1.571
  159    HA   SER  24           HA       SER  24  -5.102   7.809  -1.073
  160    HB2  SER  24           1HB      SER  24  -7.561   7.199   0.610
  161    HB3  SER  24           2HB      SER  24  -6.654   8.723   0.566
  162    HG   SER  24           HG       SER  24  -8.513   8.801  -0.776
  163    H    ASP  25           H        ASP  25  -5.901   4.878   0.798
  164    HA   ASP  25           HA       ASP  25  -4.217   5.679   3.073
  165    HB2  ASP  25           1HB      ASP  25  -6.356   4.318   3.211
  166    HB3  ASP  25           2HB      ASP  25  -5.472   2.976   2.484
  167    H    LEU  26           H        LEU  26  -3.932   3.603   0.222
  168    HA   LEU  26           HA       LEU  26  -1.301   2.530   0.764
  169    HB2  LEU  26           1HB      LEU  26  -2.754   1.466  -0.832
  170    HB3  LEU  26           2HB      LEU  26  -2.967   2.962  -1.738
  171    HG   LEU  26           HG       LEU  26  -0.618   2.906  -2.473
  172   HD11  LEU  26          1HD1      LEU  26   0.443   1.682  -0.615
  173   HD12  LEU  26          2HD1      LEU  26   0.729   0.847  -2.141
  174   HD13  LEU  26          3HD1      LEU  26  -0.503   0.242  -1.009
  175   HD21  LEU  26          3HD2      LEU  26  -2.347   1.901  -3.852
  176   HD22  LEU  26          1HD2      LEU  26  -2.190   0.360  -2.986
  177   HD23  LEU  26          2HD2      LEU  26  -0.846   0.973  -3.983
  178    H    GLN  27           H        GLN  27  -2.442   5.503  -0.935
  179    HA   GLN  27           HA       GLN  27   0.045   6.317  -1.912
  180    HB2  GLN  27           1HB      GLN  27  -2.131   7.199  -2.619
  181    HB3  GLN  27           2HB      GLN  27  -2.371   7.949  -1.038
  182    HG2  GLN  27           1HG      GLN  27  -1.715   9.603  -2.674
  183    HG3  GLN  27           2HG      GLN  27  -0.475   9.445  -1.439
  184   HE21  GLN  27          1HE2      GLN  27   1.589   8.432  -2.040
  185   HE22  GLN  27          2HE2      GLN  27   2.027   8.301  -3.743
  186    H    ARG  28           H        ARG  28  -1.283   6.773   1.365
  187    HA   ARG  28           HA       ARG  28   0.841   8.489   2.332
  188    HB2  ARG  28           1HB      ARG  28  -1.418   8.251   3.363
  189    HB3  ARG  28           2HB      ARG  28  -1.003   6.605   3.865
  190    HG2  ARG  28           1HG      ARG  28   0.835   7.484   5.274
  191    HG3  ARG  28           2HG      ARG  28   0.491   9.132   4.712
  192    HD2  ARG  28           1HD      ARG  28  -1.794   8.972   5.705
  193    HD3  ARG  28           2HD      ARG  28  -1.441   7.329   6.234
  194    HE   ARG  28           HE       ARG  28  -0.109   8.118   7.966
  195   HH11  ARG  28          2HH1      ARG  28  -0.940  10.885   5.972
  196   HH12  ARG  28          1HH1      ARG  28  -0.345  12.019   7.152
  197   HH21  ARG  28          2HH2      ARG  28   0.626   9.622   9.415
  198   HH22  ARG  28          1HH2      ARG  28   0.516  11.319   9.044
  199    H    HIS  29           H        HIS  29   0.433   4.933   2.340
  200    HA   HIS  29           HA       HIS  29   2.903   4.343   3.707
  201    HB2  HIS  29           1HB      HIS  29   1.096   2.735   3.534
  202    HB3  HIS  29           2HB      HIS  29   1.195   2.723   1.774
  203    HD1  HIS  29           1HD      HIS  29   2.914   1.232   4.827
  204    HD2  HIS  29           2HD      HIS  29   3.247   1.378   0.640
  205    HE1  HIS  29           1HE      HIS  29   4.578  -0.581   4.205
  206    H    ILE  30           H        ILE  30   2.149   4.889   0.255
  207    HA   ILE  30           HA       ILE  30   4.844   4.320  -0.662
  208    HB   ILE  30           HB       ILE  30   2.471   5.766  -1.887
  209   HG12  ILE  30          1HG1      ILE  30   3.803   3.097  -2.561
  210   HG13  ILE  30          2HG1      ILE  30   2.390   3.252  -1.517
  211   HG21  ILE  30          1HG2      ILE  30   5.201   5.200  -3.088
  212   HG22  ILE  30          2HG2      ILE  30   3.786   5.696  -4.047
  213   HG23  ILE  30          3HG2      ILE  30   4.454   6.794  -2.848
  214   HD11  ILE  30          3HD1      ILE  30   1.173   4.386  -3.387
  215   HD12  ILE  30          1HD1      ILE  30   2.527   3.950  -4.465
  216   HD13  ILE  30          2HD1      ILE  30   1.590   2.672  -3.688
  217    H    TRP  31           H        TRP  31   3.139   7.417  -0.075
  218    HA   TRP  31           HA       TRP  31   5.303   9.188  -0.445
  219    HB2  TRP  31           1HB      TRP  31   2.914   9.212   1.399
  220    HB3  TRP  31           2HB      TRP  31   4.082  10.512   1.441
  221    HD1  TRP  31           1HD      TRP  31   4.434  10.415  -1.896
  222    HE1  TRP  31           1HE      TRP  31   2.728  11.696  -3.241
  223    HE3  TRP  31           3HE      TRP  31   0.725  10.754   1.636
  224    HZ2  TRP  31           2HZ      TRP  31   0.057  12.778  -2.870
  225    HZ3  TRP  31           3HZ      TRP  31  -1.400  11.923   1.096
  226    HH2  TRP  31           2HH      TRP  31  -1.745  12.936  -1.145
  227    H    ALA  32           H        ALA  32   4.763   7.007   2.277
  228    HA   ALA  32           HA       ALA  32   6.773   8.166   4.002
  229    HB1  ALA  32           1HB      ALA  32   4.909   6.738   4.805
  230    HB2  ALA  32           2HB      ALA  32   5.616   5.347   3.952
  231    HB3  ALA  32           3HB      ALA  32   6.492   6.102   5.296
  232    H    HIS  33           H        HIS  33   6.908   5.594   1.493
  233    HA   HIS  33           HA       HIS  33   9.728   4.982   1.907
  234    HB2  HIS  33           1HB      HIS  33   7.880   4.516  -0.467
  235    HB3  HIS  33           2HB      HIS  33   9.532   3.936  -0.343
  236    HD1  HIS  33           1HD      HIS  33   9.911   2.307   2.032
  237    HD2  HIS  33           2HD      HIS  33   6.169   2.683   0.161
  238    HE1  HIS  33           1HE      HIS  33   8.603   0.238   2.689
  239    H    GLU  34           H        GLU  34   7.930   7.260  -0.183
  240    HA   GLU  34           HA       GLU  34  10.296   8.380  -1.435
  241    HB2  GLU  34           1HB      GLU  34   7.474   9.470  -1.120
  242    HB3  GLU  34           2HB      GLU  34   8.746  10.229  -2.079
  243    HG2  GLU  34           1HG      GLU  34   8.955   8.102  -3.407
  244    HG3  GLU  34           2HG      GLU  34   7.526   7.487  -2.571
  245    H    GLY  35           H        GLY  35   9.390   8.591   1.799
  246    HA2  GLY  35           1HA      GLY  35  10.411   9.710   3.518
  247    HA3  GLY  35           2HA      GLY  35  11.465  10.516   2.355
  248    H    VAL  36           H        VAL  36   7.962  10.835   2.094
  249    HA   VAL  36           HA       VAL  36   8.045  13.720   2.243
  250    HB   VAL  36           HB       VAL  36   5.683  11.815   2.298
  251   HG11  VAL  36          1HG1      VAL  36   4.944  14.016   3.058
  252   HG12  VAL  36          2HG1      VAL  36   5.772  14.799   1.687
  253   HG13  VAL  36          3HG1      VAL  36   4.374  13.735   1.417
  254   HG21  VAL  36          3HG2      VAL  36   7.032  11.560   0.231
  255   HG22  VAL  36          1HG2      VAL  36   5.493  12.343  -0.121
  256   HG23  VAL  36          2HG2      VAL  36   6.978  13.315  -0.027
  257    H    LYS  37           H        LYS  37   7.383  15.117   3.819
  258    HA   LYS  37           HA       LYS  37   6.788  14.080   6.565
  259    HB2  LYS  37           1HB      LYS  37   8.607  16.397   5.792
  260    HB3  LYS  37           2HB      LYS  37   8.100  15.995   7.436
  261    HG2  LYS  37           1HG      LYS  37   9.197  13.767   7.236
  262    HG3  LYS  37           2HG      LYS  37   9.749  14.194   5.604
  263    HD2  LYS  37           1HD      LYS  37  11.005  16.127   6.533
  264    HD3  LYS  37           2HD      LYS  37  10.485  15.668   8.170
  265    HE2  LYS  37           1HE      LYS  37  11.596  13.461   7.897
  266    HE3  LYS  37           2HE      LYS  37  12.106  13.915   6.265
  267    HZ1  LYS  37           3HZ      LYS  37  13.415  15.722   7.251
  268    HZ2  LYS  37           1HZ      LYS  37  13.878  14.290   7.881
  269    HZ3  LYS  37           2HZ      LYS  37  12.946  15.301   8.759
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  -3.917 -10.789   5.837
    2    H2   GLY   1           2H       GLY   1  -3.688  -9.929   7.212
    3    H3   GLY   1           3H       GLY   1  -3.973  -9.150   5.798
    4    HA2  GLY   1           1HA      GLY   1  -5.953  -9.123   7.169
    5    HA3  GLY   1           2HA      GLY   1  -6.201 -10.033   5.667
    6    H    SER   2           H        SER   2  -7.389 -10.198   8.492
    7    HA   SER   2           HA       SER   2  -6.469 -12.626   9.697
    8    HB2  SER   2           1HB      SER   2  -9.105 -11.172  10.108
    9    HB3  SER   2           2HB      SER   2  -8.349 -12.337  11.212
   10    HG   SER   2           HG       SER   2  -7.917 -10.164  11.824
   11    H    SER   3           H        SER   3  -8.683 -12.205   7.066
   12    HA   SER   3           HA       SER   3  -9.200 -15.097   6.959
   13    HB2  SER   3           1HB      SER   3 -11.072 -14.133   8.338
   14    HB3  SER   3           2HB      SER   3 -11.525 -13.130   6.947
   15    HG   SER   3           HG       SER   3 -12.695 -15.137   7.083
   16    H    GLY   4           H        GLY   4 -10.034 -15.776   4.898
   17    HA2  GLY   4           1HA      GLY   4  -9.005 -14.263   2.604
   18    HA3  GLY   4           2HA      GLY   4  -9.718 -15.876   2.590
   19    H    SER   5           H        SER   5 -10.651 -12.458   3.145
   20    HA   SER   5           HA       SER   5 -13.442 -12.842   2.491
   21    HB2  SER   5           1HB      SER   5 -13.634 -10.455   2.788
   22    HB3  SER   5           2HB      SER   5 -12.609 -11.127   4.066
   23    HG   SER   5           HG       SER   5 -11.684  -9.238   3.183
   24    H    SER   6           H        SER   6 -14.572 -11.464   0.855
   25    HA   SER   6           HA       SER   6 -13.647 -12.086  -1.797
   26    HB2  SER   6           1HB      SER   6 -16.026 -10.402  -0.944
   27    HB3  SER   6           2HB      SER   6 -15.775 -11.168  -2.524
   28    HG   SER   6           HG       SER   6 -17.142 -12.418  -1.165
   29    H    GLY   7           H        GLY   7 -12.526  -9.589   0.009
   30    HA2  GLY   7           1HA      GLY   7 -12.702  -7.308  -1.756
   31    HA3  GLY   7           2HA      GLY   7 -11.610  -7.511  -0.390
   32    H    ARG   8           H        ARG   8 -10.512  -6.181  -2.315
   33    HA   ARG   8           HA       ARG   8  -8.695  -8.052  -3.767
   34    HB2  ARG   8           1HB      ARG   8 -10.641  -6.653  -5.102
   35    HB3  ARG   8           2HB      ARG   8  -9.369  -5.445  -5.080
   36    HG2  ARG   8           1HG      ARG   8  -9.085  -6.617  -7.114
   37    HG3  ARG   8           2HG      ARG   8  -7.807  -7.217  -6.063
   38    HD2  ARG   8           1HD      ARG   8  -8.715  -9.100  -7.205
   39    HD3  ARG   8           2HD      ARG   8  -9.284  -9.233  -5.550
   40    HE   ARG   8           HE       ARG   8 -10.872  -8.409  -7.955
   41   HH11  ARG   8          2HH1      ARG   8 -11.010  -9.451  -4.588
   42   HH12  ARG   8          1HH1      ARG   8 -12.736  -9.586  -4.619
   43   HH21  ARG   8          2HH2      ARG   8 -13.070  -8.688  -7.925
   44   HH22  ARG   8          1HH2      ARG   8 -13.852  -9.252  -6.477
   45    H    ALA   9           H        ALA   9  -6.590  -7.411  -4.069
   46    HA   ALA   9           HA       ALA   9  -5.606  -5.013  -2.622
   47    HB1  ALA   9           1HB      ALA   9  -5.712  -6.888  -0.980
   48    HB2  ALA   9           2HB      ALA   9  -4.703  -7.875  -2.081
   49    HB3  ALA   9           3HB      ALA   9  -4.037  -6.413  -1.345
   50    H    MET  10           H        MET  10  -3.199  -4.967  -2.655
   51    HA   MET  10           HA       MET  10  -1.895  -5.959  -5.118
   52    HB2  MET  10           1HB      MET  10  -1.354  -3.786  -5.894
   53    HB3  MET  10           2HB      MET  10  -3.074  -3.772  -5.485
   54    HG2  MET  10           1HG      MET  10  -2.413  -1.767  -4.633
   55    HG3  MET  10           2HG      MET  10  -2.293  -2.766  -3.197
   56    HE1  MET  10           3HE      MET  10   0.371  -3.313  -2.018
   57    HE2  MET  10           1HE      MET  10   1.003  -1.677  -1.921
   58    HE3  MET  10           2HE      MET  10  -0.731  -1.969  -1.687
   59    H    LYS  11           H        LYS  11   0.502  -5.282  -5.057
   60    HA   LYS  11           HA       LYS  11   1.616  -5.456  -2.279
   61    HB2  LYS  11           1HB      LYS  11   1.857  -7.475  -3.804
   62    HB3  LYS  11           2HB      LYS  11   2.904  -6.488  -4.828
   63    HG2  LYS  11           1HG      LYS  11   4.444  -6.155  -2.867
   64    HG3  LYS  11           2HG      LYS  11   3.356  -7.158  -1.881
   65    HD2  LYS  11           1HD      LYS  11   3.680  -9.019  -3.582
   66    HD3  LYS  11           2HD      LYS  11   4.916  -8.020  -4.363
   67    HE2  LYS  11           1HE      LYS  11   6.261  -8.014  -2.323
   68    HE3  LYS  11           2HE      LYS  11   4.978  -8.852  -1.430
   69    HZ1  LYS  11           3HZ      LYS  11   5.292 -10.766  -2.895
   70    HZ2  LYS  11           1HZ      LYS  11   6.702 -10.405  -2.158
   71    HZ3  LYS  11           2HZ      LYS  11   6.476 -10.004  -3.724
   72    H    CYS  12           H        CYS  12   3.107  -3.991  -1.661
   73    HA   CYS  12           HA       CYS  12   3.047  -1.450  -2.729
   74    HB2  CYS  12           1HB      CYS  12   3.487  -1.976  -0.432
   75    HB3  CYS  12           2HB      CYS  12   4.960  -2.852  -0.846
   76    HA   PRO  13           HA       PRO  13   6.087  -1.475  -5.948
   77    HB2  PRO  13           1HB      PRO  13   6.374   1.240  -6.402
   78    HB3  PRO  13           2HB      PRO  13   5.023   0.219  -6.966
   79    HG2  PRO  13           1HG      PRO  13   5.094   2.106  -4.637
   80    HG3  PRO  13           2HG      PRO  13   3.734   1.708  -5.724
   81    HD2  PRO  13           1HD      PRO  13   4.060   0.688  -3.186
   82    HD3  PRO  13           2HD      PRO  13   3.106  -0.088  -4.484
   83    H    TYR  14           H        TYR  14   6.821  -0.534  -2.796
   84    HA   TYR  14           HA       TYR  14   9.750  -0.244  -3.426
   85    HB2  TYR  14           1HB      TYR  14   8.102   1.078  -1.273
   86    HB3  TYR  14           2HB      TYR  14   9.854   1.145  -1.349
   87    HD1  TYR  14           1HD      TYR  14   6.730   2.142  -3.093
   88    HD2  TYR  14           2HD      TYR  14  10.976   2.756  -2.716
   89    HE1  TYR  14           1HE      TYR  14   6.588   4.130  -4.623
   90    HE2  TYR  14           2HE      TYR  14  10.811   4.798  -4.140
   91    HH   TYR  14           HH       TYR  14   9.441   6.133  -5.386
   92    H    CYS  15           H        CYS  15   7.371  -1.900  -1.387
   93    HA   CYS  15           HA       CYS  15   9.550  -3.577  -0.297
   94    HB2  CYS  15           1HB      CYS  15   8.896  -3.395   1.963
   95    HB3  CYS  15           2HB      CYS  15   9.166  -1.775   1.349
   96    H    ASP  16           H        ASP  16   8.322  -5.293   1.284
   97    HA   ASP  16           HA       ASP  16   6.945  -6.948  -0.681
   98    HB2  ASP  16           1HB      ASP  16   7.339  -8.760   0.841
   99    HB3  ASP  16           2HB      ASP  16   8.803  -7.806   0.674
  100    H    PHE  17           H        PHE  17   5.694  -4.742   1.522
  101    HA   PHE  17           HA       PHE  17   3.617  -6.416   2.644
  102    HB2  PHE  17           1HB      PHE  17   4.874  -4.389   3.676
  103    HB3  PHE  17           2HB      PHE  17   3.676  -3.410   2.844
  104    HD1  PHE  17           2HD      PHE  17   4.202  -6.107   5.372
  105    HD2  PHE  17           1HD      PHE  17   1.397  -3.272   3.735
  106    HE1  PHE  17           2HE      PHE  17   2.651  -6.544   7.263
  107    HE2  PHE  17           1HE      PHE  17  -0.147  -3.705   5.622
  108    HZ   PHE  17           HZ       PHE  17   0.473  -5.342   7.393
  109    H    TYR  18           H        TYR  18   1.377  -6.222   2.484
  110    HA   TYR  18           HA       TYR  18   0.361  -5.326  -0.156
  111    HB2  TYR  18           1HB      TYR  18  -0.627  -7.380   1.844
  112    HB3  TYR  18           2HB      TYR  18  -1.568  -6.857   0.460
  113    HD1  TYR  18           1HD      TYR  18   1.739  -8.402   1.365
  114    HD2  TYR  18           2HD      TYR  18  -1.294  -7.839  -1.652
  115    HE1  TYR  18           1HE      TYR  18   2.893 -10.021  -0.092
  116    HE2  TYR  18           2HE      TYR  18  -0.158  -9.478  -3.109
  117    HH   TYR  18           HH       TYR  18   1.600 -10.967  -3.315
  118    H    PHE  19           H        PHE  19  -1.529  -4.201  -0.431
  119    HA   PHE  19           HA       PHE  19  -3.068  -3.289   1.930
  120    HB2  PHE  19           1HB      PHE  19  -2.070  -1.369  -0.206
  121    HB3  PHE  19           2HB      PHE  19  -3.323  -1.011   0.950
  122    HD1  PHE  19           1HD      PHE  19   0.324  -1.839   0.685
  123    HD2  PHE  19           2HD      PHE  19  -2.850  -0.278   3.157
  124    HE1  PHE  19           1HE      PHE  19   1.986  -1.123   2.377
  125    HE2  PHE  19           2HE      PHE  19  -1.179   0.462   4.831
  126    HZ   PHE  19           HZ       PHE  19   1.238   0.019   4.458
  127    H    MET  20           H        MET  20  -5.229  -2.878   1.526
  128    HA   MET  20           HA       MET  20  -6.400  -4.247  -0.756
  129    HB2  MET  20           1HB      MET  20  -8.507  -3.849   0.278
  130    HB3  MET  20           2HB      MET  20  -7.372  -4.395   1.505
  131    HG2  MET  20           1HG      MET  20  -7.106  -2.143   2.368
  132    HG3  MET  20           2HG      MET  20  -8.044  -1.458   1.047
  133    HE1  MET  20           3HE      MET  20 -10.655  -3.282   0.761
  134    HE2  MET  20           1HE      MET  20 -11.714  -2.365   1.847
  135    HE3  MET  20           2HE      MET  20 -10.593  -1.504   0.771
  136    H    LYS  21           H        LYS  21  -8.233  -3.226  -1.938
  137    HA   LYS  21           HA       LYS  21  -7.414  -1.115  -3.596
  138    HB2  LYS  21           1HB      LYS  21  -9.536  -1.437  -4.709
  139    HB3  LYS  21           2HB      LYS  21  -8.871  -2.992  -4.224
  140    HG2  LYS  21           1HG      LYS  21 -10.415  -3.058  -2.265
  141    HG3  LYS  21           2HG      LYS  21 -11.063  -1.475  -2.728
  142    HD2  LYS  21           1HD      LYS  21 -11.805  -2.457  -4.921
  143    HD3  LYS  21           2HD      LYS  21 -11.192  -4.024  -4.386
  144    HE2  LYS  21           1HE      LYS  21 -13.528  -4.079  -4.004
  145    HE3  LYS  21           2HE      LYS  21 -12.767  -3.925  -2.420
  146    HZ1  LYS  21           3HZ      LYS  21 -13.978  -1.686  -3.965
  147    HZ2  LYS  21           1HZ      LYS  21 -13.306  -1.535  -2.482
  148    HZ3  LYS  21           2HZ      LYS  21 -14.665  -2.416  -2.681
  149    H    ASN  22           H        ASN  22  -7.815  -0.128  -0.699
  150    HA   ASN  22           HA       ASN  22  -9.997   1.810  -0.919
  151    HB2  ASN  22           1HB      ASN  22  -9.519   2.409   1.325
  152    HB3  ASN  22           2HB      ASN  22  -9.447   0.663   1.201
  153   HD21  ASN  22          1HD2      ASN  22  -8.174   0.410   3.079
  154   HD22  ASN  22          2HD2      ASN  22  -6.513   0.981   3.150
  155    H    GLY  23           H        GLY  23  -6.686   1.884  -1.835
  156    HA2  GLY  23           1HA      GLY  23  -5.516   3.483  -3.023
  157    HA3  GLY  23           2HA      GLY  23  -6.902   4.565  -2.925
  158    H    SER  24           H        SER  24  -7.252   5.320  -0.444
  159    HA   SER  24           HA       SER  24  -5.207   7.206  -0.083
  160    HB2  SER  24           1HB      SER  24  -7.339   6.370   1.916
  161    HB3  SER  24           2HB      SER  24  -6.424   7.890   1.931
  162    HG   SER  24           HG       SER  24  -8.477   8.122   0.918
  163    H    ASP  25           H        ASP  25  -5.650   4.150   1.765
  164    HA   ASP  25           HA       ASP  25  -3.644   4.888   3.748
  165    HB2  ASP  25           1HB      ASP  25  -5.610   3.340   4.109
  166    HB3  ASP  25           2HB      ASP  25  -4.769   2.141   3.117
  167    H    LEU  26           H        LEU  26  -3.643   3.112   0.704
  168    HA   LEU  26           HA       LEU  26  -0.877   2.221   0.822
  169    HB2  LEU  26           1HB      LEU  26  -2.500   1.100  -0.596
  170    HB3  LEU  26           2HB      LEU  26  -2.887   2.600  -1.435
  171    HG   LEU  26           HG       LEU  26  -0.641   2.689  -2.428
  172   HD11  LEU  26          1HD1      LEU  26   0.839   0.650  -2.224
  173   HD12  LEU  26          2HD1      LEU  26  -0.192   0.116  -0.872
  174   HD13  LEU  26          3HD1      LEU  26   0.742   1.610  -0.746
  175   HD21  LEU  26          3HD2      LEU  26  -2.004  -0.000  -2.780
  176   HD22  LEU  26          1HD2      LEU  26  -0.877   0.774  -3.922
  177   HD23  LEU  26          2HD2      LEU  26  -2.451   1.515  -3.593
  178    H    GLN  27           H        GLN  27  -2.552   5.078  -0.597
  179    HA   GLN  27           HA       GLN  27  -0.353   6.234  -1.885
  180    HB2  GLN  27           1HB      GLN  27  -2.706   6.886  -2.171
  181    HB3  GLN  27           2HB      GLN  27  -2.734   7.588  -0.547
  182    HG2  GLN  27           1HG      GLN  27  -1.089   9.273  -1.208
  183    HG3  GLN  27           2HG      GLN  27  -0.888   8.506  -2.792
  184   HE21  GLN  27          1HE2      GLN  27  -3.374  10.122  -0.704
  185   HE22  GLN  27          2HE2      GLN  27  -4.311  10.713  -2.069
  186    H    ARG  28           H        ARG  28  -1.411   6.790   1.531
  187    HA   ARG  28           HA       ARG  28   0.847   8.496   2.120
  188    HB2  ARG  28           1HB      ARG  28   0.187   8.424   4.401
  189    HB3  ARG  28           2HB      ARG  28  -1.236   8.617   3.380
  190    HG2  ARG  28           1HG      ARG  28  -1.805   6.236   3.697
  191    HG3  ARG  28           2HG      ARG  28  -0.362   6.010   4.710
  192    HD2  ARG  28           1HD      ARG  28  -1.213   7.713   6.290
  193    HD3  ARG  28           2HD      ARG  28  -2.666   7.919   5.289
  194    HE   ARG  28           HE       ARG  28  -2.582   5.179   5.866
  195   HH11  ARG  28          2HH1      ARG  28  -2.799   8.055   7.886
  196   HH12  ARG  28          1HH1      ARG  28  -3.646   7.181   9.135
  197   HH21  ARG  28          2HH2      ARG  28  -3.620   4.210   7.361
  198   HH22  ARG  28          1HH2      ARG  28  -4.114   4.999   8.864
  199    H    HIS  29           H        HIS  29   0.514   4.975   2.282
  200    HA   HIS  29           HA       HIS  29   3.015   4.517   3.665
  201    HB2  HIS  29           1HB      HIS  29   1.268   2.829   3.591
  202    HB3  HIS  29           2HB      HIS  29   1.335   2.763   1.833
  203    HD1  HIS  29           1HD      HIS  29   3.454   1.731   4.883
  204    HD2  HIS  29           2HD      HIS  29   3.177   1.242   0.716
  205    HE1  HIS  29           1HE      HIS  29   5.087  -0.121   4.296
  206    H    ILE  30           H        ILE  30   2.184   4.830   0.185
  207    HA   ILE  30           HA       ILE  30   4.895   4.305  -0.715
  208    HB   ILE  30           HB       ILE  30   2.445   5.566  -2.009
  209   HG12  ILE  30          1HG1      ILE  30   3.905   2.943  -2.593
  210   HG13  ILE  30          2HG1      ILE  30   2.522   3.066  -1.507
  211   HG21  ILE  30          1HG2      ILE  30   4.349   6.644  -3.052
  212   HG22  ILE  30          2HG2      ILE  30   5.198   5.086  -3.193
  213   HG23  ILE  30          3HG2      ILE  30   3.758   5.426  -4.176
  214   HD11  ILE  30          3HD1      ILE  30   2.511   3.664  -4.485
  215   HD12  ILE  30          1HD1      ILE  30   1.693   2.351  -3.641
  216   HD13  ILE  30          2HD1      ILE  30   1.170   4.039  -3.372
  217    H    TRP  31           H        TRP  31   3.049   7.336  -0.285
  218    HA   TRP  31           HA       TRP  31   5.107   9.209  -0.757
  219    HB2  TRP  31           1HB      TRP  31   2.775   9.142   1.154
  220    HB3  TRP  31           2HB      TRP  31   3.833  10.533   1.076
  221    HD1  TRP  31           1HD      TRP  31   3.944   9.927  -2.335
  222    HE1  TRP  31           1HE      TRP  31   2.142  11.094  -3.666
  223    HE3  TRP  31           3HE      TRP  31   0.666  10.943   1.481
  224    HZ2  TRP  31           2HZ      TRP  31  -0.417  12.376  -3.170
  225    HZ3  TRP  31           3HZ      TRP  31  -1.443  12.173   1.015
  226    HH2  TRP  31           2HH      TRP  31  -1.989  12.901  -1.297
  227    H    ALA  32           H        ALA  32   4.709   7.110   2.067
  228    HA   ALA  32           HA       ALA  32   6.707   8.444   3.681
  229    HB1  ALA  32           1HB      ALA  32   6.484   6.457   5.125
  230    HB2  ALA  32           2HB      ALA  32   4.890   7.069   4.639
  231    HB3  ALA  32           3HB      ALA  32   5.568   5.623   3.856
  232    H    HIS  33           H        HIS  33   6.863   5.654   1.402
  233    HA   HIS  33           HA       HIS  33   9.687   5.118   1.810
  234    HB2  HIS  33           1HB      HIS  33   7.821   4.572  -0.535
  235    HB3  HIS  33           2HB      HIS  33   9.500   4.067  -0.468
  236    HD1  HIS  33           1HD      HIS  33  10.065   2.427   1.825
  237    HD2  HIS  33           2HD      HIS  33   6.203   2.689   0.195
  238    HE1  HIS  33           1HE      HIS  33   8.886   0.288   2.505
  239    H    GLU  34           H        GLU  34   7.887   7.322  -0.334
  240    HA   GLU  34           HA       GLU  34  10.244   8.484  -1.576
  241    HB2  GLU  34           1HB      GLU  34   7.332   9.306  -1.365
  242    HB3  GLU  34           2HB      GLU  34   8.516  10.296  -2.208
  243    HG2  GLU  34           1HG      GLU  34   8.059   7.373  -2.921
  244    HG3  GLU  34           2HG      GLU  34   7.124   8.686  -3.620
  245    H    GLY  35           H        GLY  35   9.394   8.661   1.630
  246    HA2  GLY  35           1HA      GLY  35  10.379   9.842   3.322
  247    HA3  GLY  35           2HA      GLY  35  11.287  10.782   2.135
  248    H    VAL  36           H        VAL  36   7.830  10.859   1.768
  249    HA   VAL  36           HA       VAL  36   7.757  13.728   2.320
  250    HB   VAL  36           HB       VAL  36   5.491  11.858   1.561
  251   HG11  VAL  36          1HG1      VAL  36   4.410  13.914   0.704
  252   HG12  VAL  36          2HG1      VAL  36   4.657  13.985   2.447
  253   HG13  VAL  36          3HG1      VAL  36   5.744  14.886   1.362
  254   HG21  VAL  36          3HG2      VAL  36   5.830  12.695  -0.751
  255   HG22  VAL  36          1HG2      VAL  36   7.299  13.546  -0.214
  256   HG23  VAL  36          2HG2      VAL  36   7.217  11.769  -0.177
  257    H    LYS  37           H        LYS  37   6.928  14.748   4.028
  258    HA   LYS  37           HA       LYS  37   5.355  13.365   6.136
  259    HB2  LYS  37           1HB      LYS  37   7.911  14.963   6.609
  260    HB3  LYS  37           2HB      LYS  37   6.779  14.506   7.876
  261    HG2  LYS  37           1HG      LYS  37   8.350  12.532   6.159
  262    HG3  LYS  37           2HG      LYS  37   8.787  13.063   7.780
  263    HD2  LYS  37           1HD      LYS  37   6.689  12.111   8.691
  264    HD3  LYS  37           2HD      LYS  37   6.236  11.543   7.070
  265    HE2  LYS  37           1HE      LYS  37   8.288  10.169   6.959
  266    HE3  LYS  37           2HE      LYS  37   8.764  10.733   8.567
  267    HZ1  LYS  37           3HZ      LYS  37   7.656   8.574   8.678
  268    HZ2  LYS  37           1HZ      LYS  37   6.307   9.166   7.975
  269    HZ3  LYS  37           2HZ      LYS  37   6.753   9.685   9.460
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  11.127 -18.648   4.173
    2    H2   GLY   1           2H       GLY   1  11.283 -17.080   4.618
    3    H3   GLY   1           3H       GLY   1  12.421 -17.779   3.668
    4    HA2  GLY   1           1HA      GLY   1  11.037 -16.339   2.337
    5    HA3  GLY   1           2HA      GLY   1  10.853 -18.038   1.863
    6    H    SER   2           H        SER   2   8.808 -17.237   0.941
    7    HA   SER   2           HA       SER   2   6.561 -17.631   2.810
    8    HB2  SER   2           1HB      SER   2   7.006 -15.148   2.736
    9    HB3  SER   2           2HB      SER   2   6.656 -15.189   0.998
   10    HG   SER   2           HG       SER   2   4.815 -14.650   2.307
   11    H    SER   3           H        SER   3   4.556 -18.106   1.709
   12    HA   SER   3           HA       SER   3   4.583 -18.704  -1.168
   13    HB2  SER   3           1HB      SER   3   4.030 -21.078  -0.876
   14    HB3  SER   3           2HB      SER   3   5.645 -20.703  -0.261
   15    HG   SER   3           HG       SER   3   4.458 -22.034   1.186
   16    H    GLY   4           H        GLY   4   2.496 -19.463  -1.977
   17    HA2  GLY   4           1HA      GLY   4   0.084 -19.551  -0.491
   18    HA3  GLY   4           2HA      GLY   4   0.299 -17.901  -1.080
   19    H    SER   5           H        SER   5  -1.867 -18.895  -2.015
   20    HA   SER   5           HA       SER   5  -1.384 -19.385  -4.883
   21    HB2  SER   5           1HB      SER   5  -1.550 -21.653  -3.869
   22    HB3  SER   5           2HB      SER   5  -3.155 -21.235  -3.240
   23    HG   SER   5           HG       SER   5  -3.209 -22.361  -5.273
   24    H    SER   6           H        SER   6  -3.106 -18.811  -6.203
   25    HA   SER   6           HA       SER   6  -4.757 -17.465  -6.946
   26    HB2  SER   6           1HB      SER   6  -6.291 -18.681  -4.632
   27    HB3  SER   6           2HB      SER   6  -6.988 -17.943  -6.084
   28    HG   SER   6           HG       SER   6  -5.266 -20.218  -6.017
   29    H    GLY   7           H        GLY   7  -3.027 -16.100  -4.899
   30    HA2  GLY   7           1HA      GLY   7  -4.678 -14.162  -3.509
   31    HA3  GLY   7           2HA      GLY   7  -2.935 -14.079  -3.750
   32    H    ARG   8           H        ARG   8  -5.273 -12.134  -4.076
   33    HA   ARG   8           HA       ARG   8  -4.467 -10.991  -6.718
   34    HB2  ARG   8           1HB      ARG   8  -6.713 -12.315  -6.600
   35    HB3  ARG   8           2HB      ARG   8  -7.335 -10.903  -5.744
   36    HG2  ARG   8           1HG      ARG   8  -6.829  -9.488  -7.728
   37    HG3  ARG   8           2HG      ARG   8  -6.018 -10.852  -8.506
   38    HD2  ARG   8           1HD      ARG   8  -8.218 -10.608  -9.474
   39    HD3  ARG   8           2HD      ARG   8  -8.151 -12.104  -8.556
   40    HE   ARG   8           HE       ARG   8  -9.711 -11.285  -7.037
   41   HH11  ARG   8          1HH1      ARG   8  -8.783  -8.604  -9.099
   42   HH12  ARG   8          2HH1      ARG   8 -10.085  -7.598  -8.526
   43   HH21  ARG   8          2HH2      ARG   8 -11.334  -9.946  -6.345
   44   HH22  ARG   8          1HH2      ARG   8 -11.484  -8.344  -7.003
   45    H    ALA   9           H        ALA   9  -3.927 -10.361  -3.731
   46    HA   ALA   9           HA       ALA   9  -4.929  -7.641  -3.385
   47    HB1  ALA   9           1HB      ALA   9  -3.494  -7.664  -1.384
   48    HB2  ALA   9           2HB      ALA   9  -4.515  -9.112  -1.461
   49    HB3  ALA   9           3HB      ALA   9  -2.792  -9.216  -1.892
   50    H    MET  10           H        MET  10  -3.499  -5.801  -3.042
   51    HA   MET  10           HA       MET  10  -1.725  -5.409  -5.357
   52    HB2  MET  10           1HB      MET  10  -3.614  -3.877  -4.387
   53    HB3  MET  10           2HB      MET  10  -2.433  -3.401  -3.183
   54    HG2  MET  10           1HG      MET  10  -2.250  -3.105  -6.198
   55    HG3  MET  10           2HG      MET  10  -2.598  -1.832  -5.032
   56    HE1  MET  10           3HE      MET  10  -0.899  -1.404  -2.996
   57    HE2  MET  10           1HE      MET  10   0.089  -2.867  -2.837
   58    HE3  MET  10           2HE      MET  10   0.856  -1.333  -3.261
   59    H    LYS  11           H        LYS  11   0.528  -5.464  -5.212
   60    HA   LYS  11           HA       LYS  11   1.793  -5.651  -2.509
   61    HB2  LYS  11           1HB      LYS  11   2.290  -7.393  -4.322
   62    HB3  LYS  11           2HB      LYS  11   3.147  -6.117  -5.191
   63    HG2  LYS  11           1HG      LYS  11   4.566  -5.743  -3.136
   64    HG3  LYS  11           2HG      LYS  11   3.717  -7.082  -2.350
   65    HD2  LYS  11           1HD      LYS  11   4.579  -8.620  -4.140
   66    HD3  LYS  11           2HD      LYS  11   5.467  -7.247  -4.850
   67    HE2  LYS  11           1HE      LYS  11   6.617  -6.882  -2.674
   68    HE3  LYS  11           2HE      LYS  11   5.739  -8.251  -1.981
   69    HZ1  LYS  11           3HZ      LYS  11   6.889  -9.701  -3.566
   70    HZ2  LYS  11           1HZ      LYS  11   7.946  -8.879  -2.617
   71    HZ3  LYS  11           2HZ      LYS  11   7.721  -8.429  -4.182
   72    H    CYS  12           H        CYS  12   2.924  -3.993  -1.659
   73    HA   CYS  12           HA       CYS  12   2.906  -1.401  -2.664
   74    HB2  CYS  12           1HB      CYS  12   3.267  -1.911  -0.350
   75    HB3  CYS  12           2HB      CYS  12   4.716  -2.857  -0.714
   76    HA   PRO  13           HA       PRO  13   5.995  -1.532  -5.840
   77    HB2  PRO  13           1HB      PRO  13   6.360   1.182  -6.294
   78    HB3  PRO  13           2HB      PRO  13   4.988   0.197  -6.874
   79    HG2  PRO  13           1HG      PRO  13   5.088   2.051  -4.508
   80    HG3  PRO  13           2HG      PRO  13   3.741   1.744  -5.643
   81    HD2  PRO  13           1HD      PRO  13   3.895   0.645  -3.141
   82    HD3  PRO  13           2HD      PRO  13   3.038  -0.111  -4.515
   83    H    TYR  14           H        TYR  14   6.738  -0.607  -2.692
   84    HA   TYR  14           HA       TYR  14   9.675  -0.405  -3.311
   85    HB2  TYR  14           1HB      TYR  14   8.062   0.989  -1.173
   86    HB3  TYR  14           2HB      TYR  14   9.815   1.017  -1.265
   87    HD1  TYR  14           1HD      TYR  14   6.684   2.140  -2.895
   88    HD2  TYR  14           2HD      TYR  14  10.983   2.435  -2.834
   89    HE1  TYR  14           1HE      TYR  14   6.590   4.074  -4.499
   90    HE2  TYR  14           2HE      TYR  14  10.880   4.400  -4.363
   91    HH   TYR  14           HH       TYR  14   9.535   5.747  -5.637
   92    H    CYS  15           H        CYS  15   7.242  -1.979  -1.280
   93    HA   CYS  15           HA       CYS  15   9.382  -3.702  -0.169
   94    HB2  CYS  15           1HB      CYS  15   8.753  -3.448   2.094
   95    HB3  CYS  15           2HB      CYS  15   9.046  -1.847   1.438
   96    H    ASP  16           H        ASP  16   8.203  -5.383   1.417
   97    HA   ASP  16           HA       ASP  16   6.659  -6.982  -0.491
   98    HB2  ASP  16           1HB      ASP  16   8.043  -7.668   2.109
   99    HB3  ASP  16           2HB      ASP  16   7.123  -8.833   1.159
  100    H    PHE  17           H        PHE  17   5.535  -4.820   1.705
  101    HA   PHE  17           HA       PHE  17   3.435  -6.442   2.925
  102    HB2  PHE  17           1HB      PHE  17   4.024  -3.479   2.895
  103    HB3  PHE  17           2HB      PHE  17   2.545  -4.130   3.579
  104    HD1  PHE  17           2HD      PHE  17   6.257  -4.096   3.956
  105    HD2  PHE  17           1HD      PHE  17   2.494  -5.325   5.671
  106    HE1  PHE  17           2HE      PHE  17   7.401  -4.612   6.095
  107    HE2  PHE  17           1HE      PHE  17   3.643  -5.841   7.811
  108    HZ   PHE  17           HZ       PHE  17   6.097  -5.485   8.028
  109    H    TYR  18           H        TYR  18   1.385  -6.722   2.400
  110    HA   TYR  18           HA       TYR  18   0.425  -5.803  -0.218
  111    HB2  TYR  18           1HB      TYR  18  -0.441  -7.991   1.674
  112    HB3  TYR  18           2HB      TYR  18  -1.446  -7.479   0.321
  113    HD1  TYR  18           1HD      TYR  18  -0.760  -7.741  -1.989
  114    HD2  TYR  18           2HD      TYR  18   1.763  -9.089   1.234
  115    HE1  TYR  18           1HE      TYR  18   0.679  -8.906  -3.623
  116    HE2  TYR  18           2HE      TYR  18   3.202 -10.275  -0.382
  117    HH   TYR  18           HH       TYR  18   3.530 -10.860  -2.591
  118    H    PHE  19           H        PHE  19  -1.493  -4.921  -0.666
  119    HA   PHE  19           HA       PHE  19  -3.067  -3.530   1.449
  120    HB2  PHE  19           1HB      PHE  19  -1.551  -2.335  -0.896
  121    HB3  PHE  19           2HB      PHE  19  -2.910  -1.504  -0.175
  122    HD1  PHE  19           1HD      PHE  19   0.576  -2.630   0.420
  123    HD2  PHE  19           2HD      PHE  19  -2.803  -0.446   1.986
  124    HE1  PHE  19           1HE      PHE  19   2.010  -1.682   2.211
  125    HE2  PHE  19           2HE      PHE  19  -1.359   0.524   3.752
  126    HZ   PHE  19           HZ       PHE  19   1.040  -0.124   3.893
  127    H    MET  20           H        MET  20  -4.936  -2.421   0.522
  128    HA   MET  20           HA       MET  20  -6.145  -3.664  -1.900
  129    HB2  MET  20           1HB      MET  20  -7.119  -4.473   0.276
  130    HB3  MET  20           2HB      MET  20  -7.645  -2.830   0.628
  131    HG2  MET  20           1HG      MET  20  -8.451  -4.202  -1.953
  132    HG3  MET  20           2HG      MET  20  -9.249  -4.625  -0.448
  133    HE1  MET  20           3HE      MET  20 -11.424  -4.049  -2.050
  134    HE2  MET  20           1HE      MET  20 -11.769  -2.405  -2.631
  135    HE3  MET  20           2HE      MET  20 -10.411  -3.322  -3.321
  136    H    LYS  21           H        LYS  21  -7.849  -2.125  -2.818
  137    HA   LYS  21           HA       LYS  21  -6.659   0.461  -3.374
  138    HB2  LYS  21           1HB      LYS  21  -9.335  -0.693  -4.256
  139    HB3  LYS  21           2HB      LYS  21  -8.505   0.700  -4.961
  140    HG2  LYS  21           1HG      LYS  21  -6.613  -0.782  -5.638
  141    HG3  LYS  21           2HG      LYS  21  -7.511  -2.181  -5.014
  142    HD2  LYS  21           1HD      LYS  21  -9.394  -1.629  -6.576
  143    HD3  LYS  21           2HD      LYS  21  -8.401  -0.322  -7.258
  144    HE2  LYS  21           1HE      LYS  21  -6.644  -2.005  -7.841
  145    HE3  LYS  21           2HE      LYS  21  -7.679  -3.287  -7.193
  146    HZ1  LYS  21           3HZ      LYS  21  -7.914  -3.092  -9.605
  147    HZ2  LYS  21           1HZ      LYS  21  -8.377  -1.532  -9.491
  148    HZ3  LYS  21           2HZ      LYS  21  -9.333  -2.715  -8.895
  149    H    ASN  22           H        ASN  22  -7.189   0.461  -0.678
  150    HA   ASN  22           HA       ASN  22  -9.733   1.765  -0.072
  151    HB2  ASN  22           1HB      ASN  22  -8.568  -0.054   1.285
  152    HB3  ASN  22           2HB      ASN  22  -7.423   1.175   1.814
  153   HD21  ASN  22          1HD2      ASN  22  -8.555   3.204   2.806
  154   HD22  ASN  22          2HD2      ASN  22  -9.921   2.841   3.870
  155    H    GLY  23           H        GLY  23  -8.783   3.441  -1.791
  156    HA2  GLY  23           1HA      GLY  23  -8.271   5.654  -2.210
  157    HA3  GLY  23           2HA      GLY  23  -8.824   5.937  -0.562
  158    H    SER  24           H        SER  24  -7.418   7.116   0.551
  159    HA   SER  24           HA       SER  24  -4.681   7.490  -0.245
  160    HB2  SER  24           1HB      SER  24  -4.610   9.034   1.694
  161    HB3  SER  24           2HB      SER  24  -5.955   9.341   0.582
  162    HG   SER  24           HG       SER  24  -6.624   9.368   2.788
  163    H    ASP  25           H        ASP  25  -5.989   5.001   1.708
  164    HA   ASP  25           HA       ASP  25  -4.004   4.907   3.753
  165    HB2  ASP  25           1HB      ASP  25  -6.259   3.785   3.768
  166    HB3  ASP  25           2HB      ASP  25  -5.608   2.580   2.647
  167    H    LEU  26           H        LEU  26  -3.963   3.610   0.470
  168    HA   LEU  26           HA       LEU  26  -1.345   2.288   0.831
  169    HB2  LEU  26           1HB      LEU  26  -2.910   1.328  -0.756
  170    HB3  LEU  26           2HB      LEU  26  -3.095   2.875  -1.588
  171    HG   LEU  26           HG       LEU  26  -0.742   2.783  -2.344
  172   HD11  LEU  26          1HD1      LEU  26   0.568   0.704  -2.108
  173   HD12  LEU  26          2HD1      LEU  26  -0.687   0.030  -1.049
  174   HD13  LEU  26          3HD1      LEU  26   0.270   1.429  -0.532
  175   HD21  LEU  26          3HD2      LEU  26  -2.484   1.888  -3.777
  176   HD22  LEU  26          1HD2      LEU  26  -2.375   0.305  -2.981
  177   HD23  LEU  26          2HD2      LEU  26  -1.004   0.929  -3.939
  178    H    GLN  27           H        GLN  27  -2.638   5.341  -0.495
  179    HA   GLN  27           HA       GLN  27  -0.264   6.257  -1.749
  180    HB2  GLN  27           1HB      GLN  27  -2.516   7.890  -0.521
  181    HB3  GLN  27           2HB      GLN  27  -1.296   8.489  -1.644
  182    HG2  GLN  27           1HG      GLN  27  -2.074   6.983  -3.406
  183    HG3  GLN  27           2HG      GLN  27  -3.280   6.276  -2.332
  184   HE21  GLN  27          1HE2      GLN  27  -4.118   7.327  -4.757
  185   HE22  GLN  27          2HE2      GLN  27  -5.026   8.799  -4.437
  186    H    ARG  28           H        ARG  28  -1.436   6.883   1.602
  187    HA   ARG  28           HA       ARG  28   0.779   8.492   2.420
  188    HB2  ARG  28           1HB      ARG  28  -0.003   8.203   4.645
  189    HB3  ARG  28           2HB      ARG  28  -1.410   8.311   3.589
  190    HG2  ARG  28           1HG      ARG  28  -1.544   5.774   3.653
  191    HG3  ARG  28           2HG      ARG  28  -0.249   5.790   4.860
  192    HD2  ARG  28           1HD      ARG  28  -1.707   7.272   6.295
  193    HD3  ARG  28           2HD      ARG  28  -2.997   7.064   5.109
  194    HE   ARG  28           HE       ARG  28  -3.279   4.791   5.759
  195   HH11  ARG  28          2HH1      ARG  28  -0.613   6.116   7.642
  196   HH12  ARG  28          1HH1      ARG  28  -0.619   4.736   8.705
  197   HH21  ARG  28          1HH2      ARG  28  -3.224   3.189   7.033
  198   HH22  ARG  28          2HH2      ARG  28  -2.095   3.073   8.387
  199    H    HIS  29           H        HIS  29   0.510   4.976   2.283
  200    HA   HIS  29           HA       HIS  29   2.982   4.459   3.732
  201    HB2  HIS  29           1HB      HIS  29   1.174   2.825   3.665
  202    HB3  HIS  29           2HB      HIS  29   1.251   2.741   1.908
  203    HD1  HIS  29           1HD      HIS  29   3.307   1.662   4.985
  204    HD2  HIS  29           2HD      HIS  29   3.061   1.173   0.816
  205    HE1  HIS  29           1HE      HIS  29   4.914  -0.219   4.416
  206    H    ILE  30           H        ILE  30   2.121   4.821   0.273
  207    HA   ILE  30           HA       ILE  30   4.805   4.228  -0.673
  208    HB   ILE  30           HB       ILE  30   2.360   5.533  -1.925
  209   HG12  ILE  30          1HG1      ILE  30   3.758   2.863  -2.451
  210   HG13  ILE  30          2HG1      ILE  30   2.338   3.059  -1.422
  211   HG21  ILE  30          1HG2      ILE  30   3.605   5.396  -4.116
  212   HG22  ILE  30          2HG2      ILE  30   4.271   6.573  -3.002
  213   HG23  ILE  30          3HG2      ILE  30   5.069   4.995  -3.189
  214   HD11  ILE  30          3HD1      ILE  30   1.115   4.052  -3.378
  215   HD12  ILE  30          1HD1      ILE  30   2.480   3.547  -4.411
  216   HD13  ILE  30          2HD1      ILE  30   1.546   2.325  -3.547
  217    H    TRP  31           H        TRP  31   3.033   7.302  -0.258
  218    HA   TRP  31           HA       TRP  31   5.112   9.104  -0.825
  219    HB2  TRP  31           1HB      TRP  31   2.841   9.212   1.165
  220    HB3  TRP  31           2HB      TRP  31   3.885  10.590   0.856
  221    HD1  TRP  31           1HD      TRP  31   4.008   9.979  -2.391
  222    HE1  TRP  31           1HE      TRP  31   2.052  10.684  -3.820
  223    HE3  TRP  31           3HE      TRP  31   0.464  10.462   1.290
  224    HZ2  TRP  31           2HZ      TRP  31  -0.742  11.407  -3.451
  225    HZ3  TRP  31           3HZ      TRP  31  -1.845  11.168   0.709
  226    HH2  TRP  31           2HH      TRP  31  -2.460  11.640  -1.651
  227    H    ALA  32           H        ALA  32   4.742   7.104   2.064
  228    HA   ALA  32           HA       ALA  32   6.781   8.463   3.605
  229    HB1  ALA  32           1HB      ALA  32   4.993   7.105   4.643
  230    HB2  ALA  32           2HB      ALA  32   5.620   5.650   3.837
  231    HB3  ALA  32           3HB      ALA  32   6.595   6.471   5.072
  232    H    HIS  33           H        HIS  33   6.848   5.619   1.385
  233    HA   HIS  33           HA       HIS  33   9.678   5.066   1.728
  234    HB2  HIS  33           1HB      HIS  33   7.752   4.449  -0.550
  235    HB3  HIS  33           2HB      HIS  33   9.414   3.893  -0.465
  236    HD1  HIS  33           1HD      HIS  33   9.912   2.379   1.960
  237    HD2  HIS  33           2HD      HIS  33   6.107   2.617   0.201
  238    HE1  HIS  33           1HE      HIS  33   8.677   0.292   2.706
  239    H    GLU  34           H        GLU  34   7.818   7.198  -0.453
  240    HA   GLU  34           HA       GLU  34  10.143   8.181  -1.893
  241    HB2  GLU  34           1HB      GLU  34   7.310   9.244  -1.596
  242    HB3  GLU  34           2HB      GLU  34   8.540   9.979  -2.630
  243    HG2  GLU  34           1HG      GLU  34   8.791   7.770  -3.810
  244    HG3  GLU  34           2HG      GLU  34   7.386   7.181  -2.914
  245    H    GLY  35           H        GLY  35   9.255   8.740   1.329
  246    HA2  GLY  35           1HA      GLY  35  10.203  10.089   2.921
  247    HA3  GLY  35           2HA      GLY  35  11.318  10.712   1.702
  248    H    VAL  36           H        VAL  36   7.815  11.007   1.331
  249    HA   VAL  36           HA       VAL  36   7.910  13.824   0.838
  250    HB   VAL  36           HB       VAL  36   5.549  12.011   1.452
  251   HG11  VAL  36          1HG1      VAL  36   5.585  14.782   0.183
  252   HG12  VAL  36          2HG1      VAL  36   4.186  13.687   0.233
  253   HG13  VAL  36          3HG1      VAL  36   4.835  14.333   1.736
  254   HG21  VAL  36          3HG2      VAL  36   6.714  12.957  -1.206
  255   HG22  VAL  36          1HG2      VAL  36   6.825  11.311  -0.554
  256   HG23  VAL  36          2HG2      VAL  36   5.251  11.967  -1.001
  257    H    LYS  37           H        LYS  37   7.392  15.585   2.029
  258    HA   LYS  37           HA       LYS  37   7.285  15.288   5.003
  259    HB2  LYS  37           1HB      LYS  37   8.311  17.629   3.359
  260    HB3  LYS  37           2HB      LYS  37   8.388  17.452   5.108
  261    HG2  LYS  37           1HG      LYS  37   9.898  15.783   3.049
  262    HG3  LYS  37           2HG      LYS  37  10.560  17.042   4.086
  263    HD2  LYS  37           1HD      LYS  37  10.033  15.676   6.098
  264    HD3  LYS  37           2HD      LYS  37   9.399  14.387   5.048
  265    HE2  LYS  37           1HE      LYS  37  11.593  14.205   3.924
  266    HE3  LYS  37           2HE      LYS  37  12.240  15.485   4.959
  267    HZ1  LYS  37           3HZ      LYS  37  11.234  12.859   5.925
  268    HZ2  LYS  37           1HZ      LYS  37  11.835  14.040   6.882
  269    HZ3  LYS  37           2HZ      LYS  37  12.806  13.283   5.813
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  10.296 -15.146  -3.220
    2    H2   GLY   1           2H       GLY   1   9.060 -14.337  -3.927
    3    H3   GLY   1           3H       GLY   1  10.003 -15.335  -4.820
    4    HA2  GLY   1           1HA      GLY   1   7.895 -16.395  -4.397
    5    HA3  GLY   1           2HA      GLY   1   9.224 -17.263  -3.608
    6    H    SER   2           H        SER   2   8.324 -18.070  -1.790
    7    HA   SER   2           HA       SER   2   7.310 -18.262   0.210
    8    HB2  SER   2           1HB      SER   2   8.353 -15.456   0.662
    9    HB3  SER   2           2HB      SER   2   7.950 -16.655   1.905
   10    HG   SER   2           HG       SER   2  10.197 -16.625   1.433
   11    H    SER   3           H        SER   3   5.455 -17.317  -1.825
   12    HA   SER   3           HA       SER   3   3.237 -16.563  -0.055
   13    HB2  SER   3           1HB      SER   3   4.229 -14.385  -0.832
   14    HB3  SER   3           2HB      SER   3   3.872 -14.868  -2.502
   15    HG   SER   3           HG       SER   3   2.209 -13.568  -1.544
   16    H    GLY   4           H        GLY   4   1.170 -16.968  -0.978
   17    HA2  GLY   4           1HA      GLY   4   0.483 -17.819  -3.533
   18    HA3  GLY   4           2HA      GLY   4   1.041 -19.280  -2.715
   19    H    SER   5           H        SER   5  -1.379 -19.559  -3.452
   20    HA   SER   5           HA       SER   5  -3.565 -19.901  -2.938
   21    HB2  SER   5           1HB      SER   5  -2.398 -20.341  -0.176
   22    HB3  SER   5           2HB      SER   5  -3.943 -20.972  -0.778
   23    HG   SER   5           HG       SER   5  -2.237 -22.508  -0.965
   24    H    SER   6           H        SER   6  -3.185 -17.175  -3.072
   25    HA   SER   6           HA       SER   6  -5.260 -16.129  -1.220
   26    HB2  SER   6           1HB      SER   6  -2.936 -15.663  -0.318
   27    HB3  SER   6           2HB      SER   6  -2.665 -14.645  -1.745
   28    HG   SER   6           HG       SER   6  -3.459 -13.481   0.109
   29    H    GLY   7           H        GLY   7  -5.984 -13.924  -1.889
   30    HA2  GLY   7           1HA      GLY   7  -6.896 -14.013  -4.651
   31    HA3  GLY   7           2HA      GLY   7  -7.313 -12.816  -3.433
   32    H    ARG   8           H        ARG   8  -7.138 -11.758  -5.706
   33    HA   ARG   8           HA       ARG   8  -4.505 -10.957  -6.642
   34    HB2  ARG   8           1HB      ARG   8  -5.704  -9.751  -8.379
   35    HB3  ARG   8           2HB      ARG   8  -6.223 -11.424  -8.231
   36    HG2  ARG   8           1HG      ARG   8  -8.284 -10.732  -7.060
   37    HG3  ARG   8           2HG      ARG   8  -7.770  -9.036  -7.115
   38    HD2  ARG   8           1HD      ARG   8  -7.748  -9.118  -9.584
   39    HD3  ARG   8           2HD      ARG   8  -8.265 -10.817  -9.532
   40    HE   ARG   8           HE       ARG   8 -10.131  -9.287  -8.031
   41   HH11  ARG   8          2HH1      ARG   8  -9.212  -9.611 -11.396
   42   HH12  ARG   8          1HH1      ARG   8 -10.787  -9.130 -11.968
   43   HH21  ARG   8          2HH2      ARG   8 -12.116  -8.685  -8.826
   44   HH22  ARG   8          1HH2      ARG   8 -12.384  -8.621 -10.543
   45    H    ALA   9           H        ALA   9  -4.443 -10.192  -4.115
   46    HA   ALA   9           HA       ALA   9  -5.212  -7.473  -3.577
   47    HB1  ALA   9           1HB      ALA   9  -3.055  -9.211  -2.302
   48    HB2  ALA   9           2HB      ALA   9  -3.728  -7.715  -1.624
   49    HB3  ALA   9           3HB      ALA   9  -4.767  -9.141  -1.814
   50    H    MET  10           H        MET  10  -3.868  -5.685  -3.179
   51    HA   MET  10           HA       MET  10  -2.102  -5.028  -5.418
   52    HB2  MET  10           1HB      MET  10  -3.967  -3.632  -4.255
   53    HB3  MET  10           2HB      MET  10  -2.816  -3.368  -2.966
   54    HG2  MET  10           1HG      MET  10  -2.540  -2.587  -5.879
   55    HG3  MET  10           2HG      MET  10  -2.994  -1.526  -4.556
   56    HE1  MET  10           3HE      MET  10   0.508  -1.415  -2.548
   57    HE2  MET  10           1HE      MET  10  -1.253  -1.420  -2.319
   58    HE3  MET  10           2HE      MET  10  -0.351  -2.944  -2.451
   59    H    LYS  11           H        LYS  11   0.159  -4.878  -5.297
   60    HA   LYS  11           HA       LYS  11   1.485  -5.275  -2.635
   61    HB2  LYS  11           1HB      LYS  11   1.914  -7.031  -4.452
   62    HB3  LYS  11           2HB      LYS  11   2.776  -5.770  -5.339
   63    HG2  LYS  11           1HG      LYS  11   4.228  -5.412  -3.291
   64    HG3  LYS  11           2HG      LYS  11   3.385  -6.758  -2.514
   65    HD2  LYS  11           1HD      LYS  11   4.215  -8.263  -4.358
   66    HD3  LYS  11           2HD      LYS  11   5.112  -6.877  -5.030
   67    HE2  LYS  11           1HE      LYS  11   6.269  -6.579  -2.847
   68    HE3  LYS  11           2HE      LYS  11   5.389  -7.966  -2.193
   69    HZ1  LYS  11           3HZ      LYS  11   7.355  -8.083  -4.411
   70    HZ2  LYS  11           1HZ      LYS  11   6.522  -9.371  -3.828
   71    HZ3  LYS  11           2HZ      LYS  11   7.593  -8.583  -2.864
   72    H    CYS  12           H        CYS  12   2.728  -3.700  -1.837
   73    HA   CYS  12           HA       CYS  12   2.769  -1.072  -2.790
   74    HB2  CYS  12           1HB      CYS  12   3.144  -1.694  -0.501
   75    HB3  CYS  12           2HB      CYS  12   4.563  -2.655  -0.928
   76    HA   PRO  13           HA       PRO  13   5.844  -1.273  -5.992
   77    HB2  PRO  13           1HB      PRO  13   6.266   1.424  -6.441
   78    HB3  PRO  13           2HB      PRO  13   4.856   0.484  -7.003
   79    HG2  PRO  13           1HG      PRO  13   5.052   2.318  -4.627
   80    HG3  PRO  13           2HG      PRO  13   3.682   2.071  -5.747
   81    HD2  PRO  13           1HD      PRO  13   3.820   0.939  -3.258
   82    HD3  PRO  13           2HD      PRO  13   2.923   0.231  -4.631
   83    H    TYR  14           H        TYR  14   6.601  -0.393  -2.830
   84    HA   TYR  14           HA       TYR  14   9.542  -0.219  -3.448
   85    HB2  TYR  14           1HB      TYR  14   7.939   1.127  -1.273
   86    HB3  TYR  14           2HB      TYR  14   9.692   1.106  -1.326
   87    HD1  TYR  14           1HD      TYR  14   6.645   2.345  -3.034
   88    HD2  TYR  14           2HD      TYR  14  10.934   2.600  -2.738
   89    HE1  TYR  14           1HE      TYR  14   6.643   4.349  -4.553
   90    HE2  TYR  14           2HE      TYR  14  10.921   4.643  -4.166
   91    HH   TYR  14           HH       TYR  14   9.653   6.062  -5.441
   92    H    CYS  15           H        CYS  15   7.092  -1.776  -1.398
   93    HA   CYS  15           HA       CYS  15   9.219  -3.549  -0.323
   94    HB2  CYS  15           1HB      CYS  15   8.604  -3.294   1.934
   95    HB3  CYS  15           2HB      CYS  15   8.880  -1.688   1.282
   96    H    ASP  16           H        ASP  16   8.040  -5.223   1.244
   97    HA   ASP  16           HA       ASP  16   6.399  -6.786  -0.628
   98    HB2  ASP  16           1HB      ASP  16   7.911  -7.545   1.879
   99    HB3  ASP  16           2HB      ASP  16   6.938  -8.678   0.942
  100    H    PHE  17           H        PHE  17   5.363  -4.583   1.473
  101    HA   PHE  17           HA       PHE  17   3.275  -6.141   2.820
  102    HB2  PHE  17           1HB      PHE  17   3.903  -3.193   2.669
  103    HB3  PHE  17           2HB      PHE  17   2.395  -3.779   3.339
  104    HD1  PHE  17           1HD      PHE  17   6.116  -3.998   3.775
  105    HD2  PHE  17           2HD      PHE  17   2.237  -4.688   5.530
  106    HE1  PHE  17           1HE      PHE  17   7.186  -4.432   5.969
  107    HE2  PHE  17           2HE      PHE  17   3.312  -5.124   7.725
  108    HZ   PHE  17           HZ       PHE  17   5.788  -4.997   7.950
  109    H    TYR  18           H        TYR  18   1.202  -6.359   2.358
  110    HA   TYR  18           HA       TYR  18   0.229  -5.544  -0.316
  111    HB2  TYR  18           1HB      TYR  18  -0.553  -7.796   1.557
  112    HB3  TYR  18           2HB      TYR  18  -1.484  -7.367   0.127
  113    HD1  TYR  18           1HD      TYR  18   1.771  -8.716   1.298
  114    HD2  TYR  18           2HD      TYR  18  -0.685  -7.756  -2.115
  115    HE1  TYR  18           1HE      TYR  18   3.363  -9.892  -0.173
  116    HE2  TYR  18           2HE      TYR  18   0.923  -8.885  -3.602
  117    HH   TYR  18           HH       TYR  18   3.839 -10.586  -2.316
  118    H    PHE  19           H        PHE  19  -1.848  -4.870  -0.694
  119    HA   PHE  19           HA       PHE  19  -3.500  -3.890   1.592
  120    HB2  PHE  19           1HB      PHE  19  -2.781  -2.361  -0.932
  121    HB3  PHE  19           2HB      PHE  19  -4.137  -1.950   0.090
  122    HD1  PHE  19           1HD      PHE  19  -0.388  -2.373   0.212
  123    HD2  PHE  19           2HD      PHE  19  -3.878  -0.462   1.884
  124    HE1  PHE  19           1HE      PHE  19   1.067  -0.950   1.628
  125    HE2  PHE  19           2HE      PHE  19  -2.414   0.975   3.280
  126    HZ   PHE  19           HZ       PHE  19   0.055   0.720   3.168
  127    H    MET  20           H        MET  20  -5.640  -4.273   1.409
  128    HA   MET  20           HA       MET  20  -6.639  -5.736  -0.987
  129    HB2  MET  20           1HB      MET  20  -8.520  -6.414   0.547
  130    HB3  MET  20           2HB      MET  20  -6.928  -7.061   0.886
  131    HG2  MET  20           1HG      MET  20  -8.142  -6.462   2.926
  132    HG3  MET  20           2HG      MET  20  -6.606  -5.639   2.769
  133    HE1  MET  20           3HE      MET  20 -10.528  -5.264   2.925
  134    HE2  MET  20           1HE      MET  20 -10.763  -3.568   2.437
  135    HE3  MET  20           2HE      MET  20 -10.226  -4.765   1.245
  136    H    LYS  21           H        LYS  21  -6.554  -2.611  -0.092
  137    HA   LYS  21           HA       LYS  21  -9.082  -1.875  -1.469
  138    HB2  LYS  21           1HB      LYS  21  -9.531  -2.078   0.974
  139    HB3  LYS  21           2HB      LYS  21  -8.222  -0.954   1.316
  140    HG2  LYS  21           1HG      LYS  21 -10.324   0.152   1.555
  141    HG3  LYS  21           2HG      LYS  21  -9.501   0.840   0.163
  142    HD2  LYS  21           1HD      LYS  21 -10.968  -0.511  -1.364
  143    HD3  LYS  21           2HD      LYS  21 -11.677  -1.302   0.049
  144    HE2  LYS  21           1HE      LYS  21 -13.251   0.335  -0.514
  145    HE3  LYS  21           2HE      LYS  21 -12.381   0.989   0.874
  146    HZ1  LYS  21           3HZ      LYS  21 -12.006   1.751  -1.980
  147    HZ2  LYS  21           1HZ      LYS  21 -10.998   2.268  -0.810
  148    HZ3  LYS  21           2HZ      LYS  21 -12.579   2.703  -0.789
  149    H    ASN  22           H        ASN  22  -9.006   0.038  -2.548
  150    HA   ASN  22           HA       ASN  22  -6.454   1.565  -2.614
  151    HB2  ASN  22           1HB      ASN  22  -7.261   2.551  -4.668
  152    HB3  ASN  22           2HB      ASN  22  -7.316   0.799  -4.777
  153   HD21  ASN  22          1HD2      ASN  22  -9.372  -0.230  -5.042
  154   HD22  ASN  22          2HD2      ASN  22 -10.832   0.712  -5.283
  155    H    GLY  23           H        GLY  23  -6.382   3.807  -2.279
  156    HA2  GLY  23           1HA      GLY  23  -8.339   5.647  -1.626
  157    HA3  GLY  23           2HA      GLY  23  -8.106   4.731  -0.133
  158    H    SER  24           H        SER  24  -7.362   6.768   0.808
  159    HA   SER  24           HA       SER  24  -4.872   7.981  -0.092
  160    HB2  SER  24           1HB      SER  24  -5.074   9.333   1.935
  161    HB3  SER  24           2HB      SER  24  -6.588   9.300   1.014
  162    HG   SER  24           HG       SER  24  -7.029   8.965   3.207
  163    H    ASP  25           H        ASP  25  -5.646   5.365   2.138
  164    HA   ASP  25           HA       ASP  25  -3.385   5.543   3.823
  165    HB2  ASP  25           1HB      ASP  25  -4.961   3.069   3.032
  166    HB3  ASP  25           2HB      ASP  25  -3.889   3.208   4.427
  167    H    LEU  26           H        LEU  26  -3.700   3.707   0.770
  168    HA   LEU  26           HA       LEU  26  -1.004   2.669   0.809
  169    HB2  LEU  26           1HB      LEU  26  -2.740   1.652  -0.560
  170    HB3  LEU  26           2HB      LEU  26  -2.992   3.162  -1.443
  171    HG   LEU  26           HG       LEU  26  -0.727   3.010  -2.410
  172   HD11  LEU  26          1HD1      LEU  26   0.480   1.772  -0.665
  173   HD12  LEU  26          2HD1      LEU  26   0.578   0.906  -2.195
  174   HD13  LEU  26          3HD1      LEU  26  -0.553   0.357  -0.935
  175   HD21  LEU  26          3HD2      LEU  26  -1.126   1.073  -3.872
  176   HD22  LEU  26          1HD2      LEU  26  -2.596   2.030  -3.626
  177   HD23  LEU  26          2HD2      LEU  26  -2.392   0.492  -2.763
  178    H    GLN  27           H        GLN  27  -2.440   5.713  -0.405
  179    HA   GLN  27           HA       GLN  27  -0.090   6.582  -1.831
  180    HB2  GLN  27           1HB      GLN  27  -2.466   8.134  -0.730
  181    HB3  GLN  27           2HB      GLN  27  -1.179   8.834  -1.717
  182    HG2  GLN  27           1HG      GLN  27  -1.672   7.338  -3.566
  183    HG3  GLN  27           2HG      GLN  27  -2.885   6.476  -2.622
  184   HE21  GLN  27          1HE2      GLN  27  -4.981   7.309  -2.474
  185   HE22  GLN  27          2HE2      GLN  27  -5.457   8.812  -3.276
  186    H    ARG  28           H        ARG  28  -1.233   7.276   1.513
  187    HA   ARG  28           HA       ARG  28   1.092   8.793   2.320
  188    HB2  ARG  28           1HB      ARG  28  -0.663   6.992   4.048
  189    HB3  ARG  28           2HB      ARG  28   0.497   8.197   4.623
  190    HG2  ARG  28           1HG      ARG  28  -0.863   9.909   3.246
  191    HG3  ARG  28           2HG      ARG  28  -2.107   8.669   3.163
  192    HD2  ARG  28           1HD      ARG  28  -1.003  10.045   5.629
  193    HD3  ARG  28           2HD      ARG  28  -2.648  10.134   5.010
  194    HE   ARG  28           HE       ARG  28  -1.495   8.099   6.736
  195   HH11  ARG  28          2HH1      ARG  28  -4.158   8.515   4.438
  196   HH12  ARG  28          1HH1      ARG  28  -4.925   7.048   5.042
  197   HH21  ARG  28          2HH2      ARG  28  -2.658   6.288   7.390
  198   HH22  ARG  28          1HH2      ARG  28  -4.150   5.913   6.528
  199    H    HIS  29           H        HIS  29   0.456   5.304   2.466
  200    HA   HIS  29           HA       HIS  29   2.927   4.539   3.670
  201    HB2  HIS  29           1HB      HIS  29   1.010   3.043   3.479
  202    HB3  HIS  29           2HB      HIS  29   1.148   3.022   1.722
  203    HD1  HIS  29           1HD      HIS  29   2.820   1.534   4.825
  204    HD2  HIS  29           2HD      HIS  29   3.099   1.540   0.630
  205    HE1  HIS  29           1HE      HIS  29   4.431  -0.339   4.239
  206    H    ILE  30           H        ILE  30   2.185   5.087   0.204
  207    HA   ILE  30           HA       ILE  30   4.857   4.395  -0.703
  208    HB   ILE  30           HB       ILE  30   2.480   5.802  -1.958
  209   HG12  ILE  30          1HG1      ILE  30   3.845   3.149  -2.624
  210   HG13  ILE  30          2HG1      ILE  30   2.484   3.278  -1.512
  211   HG21  ILE  30          1HG2      ILE  30   4.410   6.839  -2.985
  212   HG22  ILE  30          2HG2      ILE  30   5.212   5.264  -3.164
  213   HG23  ILE  30          3HG2      ILE  30   3.778   5.668  -4.135
  214   HD11  ILE  30          3HD1      ILE  30   2.452   3.953  -4.471
  215   HD12  ILE  30          1HD1      ILE  30   1.584   2.660  -3.635
  216   HD13  ILE  30          2HD1      ILE  30   1.143   4.364  -3.332
  217    H    TRP  31           H        TRP  31   3.221   7.557  -0.260
  218    HA   TRP  31           HA       TRP  31   5.397   9.244  -0.799
  219    HB2  TRP  31           1HB      TRP  31   3.130   9.499   1.194
  220    HB3  TRP  31           2HB      TRP  31   4.244  10.806   0.844
  221    HD1  TRP  31           1HD      TRP  31   4.357  10.221  -2.361
  222    HE1  TRP  31           1HE      TRP  31   2.427  10.951  -3.817
  223    HE3  TRP  31           3HE      TRP  31   0.782  10.783   1.277
  224    HZ2  TRP  31           2HZ      TRP  31  -0.362  11.712  -3.483
  225    HZ3  TRP  31           3HZ      TRP  31  -1.510  11.520   0.668
  226    HH2  TRP  31           2HH      TRP  31  -2.094  11.986  -1.703
  227    H    ALA  32           H        ALA  32   4.828   7.328   2.113
  228    HA   ALA  32           HA       ALA  32   6.918   8.485   3.725
  229    HB1  ALA  32           1HB      ALA  32   6.575   6.465   5.115
  230    HB2  ALA  32           2HB      ALA  32   5.029   7.206   4.657
  231    HB3  ALA  32           3HB      ALA  32   5.595   5.740   3.825
  232    H    HIS  33           H        HIS  33   6.936   5.750   1.376
  233    HA   HIS  33           HA       HIS  33   9.720   5.033   1.843
  234    HB2  HIS  33           1HB      HIS  33   7.879   4.551  -0.535
  235    HB3  HIS  33           2HB      HIS  33   9.507   3.915  -0.375
  236    HD1  HIS  33           1HD      HIS  33   9.807   2.358   2.061
  237    HD2  HIS  33           2HD      HIS  33   6.113   2.784   0.110
  238    HE1  HIS  33           1HE      HIS  33   8.431   0.338   2.742
  239    H    GLU  34           H        GLU  34   8.058   7.351  -0.292
  240    HA   GLU  34           HA       GLU  34  10.506   8.322  -1.540
  241    HB2  GLU  34           1HB      GLU  34   7.729   9.552  -1.352
  242    HB3  GLU  34           2HB      GLU  34   9.066  10.194  -2.310
  243    HG2  GLU  34           1HG      GLU  34   9.185   8.002  -3.535
  244    HG3  GLU  34           2HG      GLU  34   7.707   7.502  -2.706
  245    H    GLY  35           H        GLY  35   9.679   8.528   1.655
  246    HA2  GLY  35           1HA      GLY  35  10.799   9.599   3.345
  247    HA3  GLY  35           2HA      GLY  35  11.677  10.571   2.163
  248    H    VAL  36           H        VAL  36   8.240  10.777   1.835
  249    HA   VAL  36           HA       VAL  36   8.243  13.581   2.704
  250    HB   VAL  36           HB       VAL  36   5.957  11.901   1.630
  251   HG11  VAL  36          1HG1      VAL  36   4.972  14.089   1.010
  252   HG12  VAL  36          2HG1      VAL  36   5.148  13.922   2.754
  253   HG13  VAL  36          3HG1      VAL  36   6.306  14.920   1.840
  254   HG21  VAL  36          3HG2      VAL  36   7.745  11.983  -0.049
  255   HG22  VAL  36          1HG2      VAL  36   6.406  13.020  -0.541
  256   HG23  VAL  36          2HG2      VAL  36   7.877  13.746   0.149
  257    H    LYS  37           H        LYS  37   7.301  14.417   4.480
  258    HA   LYS  37           HA       LYS  37   5.764  12.734   6.396
  259    HB2  LYS  37           1HB      LYS  37   8.186  14.460   7.069
  260    HB3  LYS  37           2HB      LYS  37   7.093  13.771   8.260
  261    HG2  LYS  37           1HG      LYS  37   8.823  12.141   6.342
  262    HG3  LYS  37           2HG      LYS  37   9.217  12.519   8.017
  263    HD2  LYS  37           1HD      LYS  37   7.204  11.303   8.795
  264    HD3  LYS  37           2HD      LYS  37   6.805  10.880   7.117
  265    HE2  LYS  37           1HE      LYS  37   8.959   9.698   6.881
  266    HE3  LYS  37           2HE      LYS  37   9.400  10.140   8.536
  267    HZ1  LYS  37           3HZ      LYS  37   7.080   8.433   7.801
  268    HZ2  LYS  37           1HZ      LYS  37   7.504   8.837   9.327
  269    HZ3  LYS  37           2HZ      LYS  37   8.486   7.892   8.433
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1   7.051 -20.228  -8.425
    2    H2   GLY   1           2H       GLY   1   7.192 -19.049  -7.299
    3    H3   GLY   1           3H       GLY   1   8.336 -20.216  -7.408
    4    HA2  GLY   1           1HA      GLY   1   9.162 -18.162  -8.354
    5    HA3  GLY   1           2HA      GLY   1   9.026 -19.439  -9.578
    6    H    SER   2           H        SER   2   8.297 -18.577 -11.459
    7    HA   SER   2           HA       SER   2   6.783 -16.165 -11.719
    8    HB2  SER   2           1HB      SER   2   6.561 -16.882 -14.091
    9    HB3  SER   2           2HB      SER   2   8.223 -16.945 -13.482
   10    HG   SER   2           HG       SER   2   7.645 -18.841 -14.663
   11    H    SER   3           H        SER   3   5.720 -19.337 -10.944
   12    HA   SER   3           HA       SER   3   2.961 -19.236 -11.720
   13    HB2  SER   3           1HB      SER   3   2.800 -21.017  -9.925
   14    HB3  SER   3           2HB      SER   3   4.003 -21.323 -11.188
   15    HG   SER   3           HG       SER   3   4.794 -21.700  -9.035
   16    H    GLY   4           H        GLY   4   4.660 -17.483  -9.236
   17    HA2  GLY   4           1HA      GLY   4   2.575 -17.239  -7.277
   18    HA3  GLY   4           2HA      GLY   4   3.974 -16.186  -7.455
   19    H    SER   5           H        SER   5   1.303 -15.412  -6.737
   20    HA   SER   5           HA       SER   5   0.804 -13.289  -8.724
   21    HB2  SER   5           1HB      SER   5  -0.618 -15.149  -9.494
   22    HB3  SER   5           2HB      SER   5  -1.354 -15.268  -7.885
   23    HG   SER   5           HG       SER   5  -2.541 -14.001  -9.492
   24    H    SER   6           H        SER   6  -0.339 -11.523  -7.911
   25    HA   SER   6           HA       SER   6  -0.439 -11.127  -4.999
   26    HB2  SER   6           1HB      SER   6  -1.196  -8.843  -5.669
   27    HB3  SER   6           2HB      SER   6   0.371  -9.311  -6.347
   28    HG   SER   6           HG       SER   6  -1.058  -8.338  -7.903
   29    H    GLY   7           H        GLY   7  -2.597 -12.364  -7.370
   30    HA2  GLY   7           1HA      GLY   7  -4.808 -13.020  -7.261
   31    HA3  GLY   7           2HA      GLY   7  -4.685 -12.867  -5.509
   32    H    ARG   8           H        ARG   8  -6.274 -11.638  -4.751
   33    HA   ARG   8           HA       ARG   8  -7.515  -9.461  -6.326
   34    HB2  ARG   8           1HB      ARG   8  -8.195 -10.626  -3.597
   35    HB3  ARG   8           2HB      ARG   8  -9.133  -9.384  -4.437
   36    HG2  ARG   8           1HG      ARG   8  -9.533 -10.935  -6.328
   37    HG3  ARG   8           2HG      ARG   8  -8.669 -12.217  -5.470
   38    HD2  ARG   8           1HD      ARG   8 -11.172 -10.795  -4.463
   39    HD3  ARG   8           2HD      ARG   8 -11.165 -12.360  -5.262
   40    HE   ARG   8           HE       ARG   8 -10.397 -11.763  -2.497
   41   HH11  ARG   8          2HH1      ARG   8 -10.142 -14.209  -4.999
   42   HH12  ARG   8          1HH1      ARG   8  -9.799 -15.471  -3.848
   43   HH21  ARG   8          2HH2      ARG   8  -9.949 -13.419  -1.096
   44   HH22  ARG   8          1HH2      ARG   8  -9.696 -15.029  -1.701
   45    H    ALA   9           H        ALA   9  -4.854  -9.528  -4.368
   46    HA   ALA   9           HA       ALA   9  -5.351  -6.865  -3.132
   47    HB1  ALA   9           1HB      ALA   9  -3.284  -9.005  -2.526
   48    HB2  ALA   9           2HB      ALA   9  -3.588  -7.521  -1.586
   49    HB3  ALA   9           3HB      ALA   9  -4.833  -8.785  -1.681
   50    H    MET  10           H        MET  10  -3.304  -5.577  -2.814
   51    HA   MET  10           HA       MET  10  -1.852  -5.202  -5.410
   52    HB2  MET  10           1HB      MET  10  -3.684  -3.572  -4.539
   53    HB3  MET  10           2HB      MET  10  -2.529  -3.104  -3.308
   54    HG2  MET  10           1HG      MET  10  -2.264  -2.843  -6.324
   55    HG3  MET  10           2HG      MET  10  -2.589  -1.555  -5.172
   56    HE1  MET  10           3HE      MET  10   0.843  -1.146  -3.351
   57    HE2  MET  10           1HE      MET  10  -0.915  -1.200  -3.095
   58    HE3  MET  10           2HE      MET  10   0.057  -2.669  -2.930
   59    H    LYS  11           H        LYS  11   0.419  -5.193  -5.284
   60    HA   LYS  11           HA       LYS  11   1.684  -5.407  -2.580
   61    HB2  LYS  11           1HB      LYS  11   2.111  -7.196  -4.354
   62    HB3  LYS  11           2HB      LYS  11   3.005  -5.970  -5.258
   63    HG2  LYS  11           1HG      LYS  11   4.455  -5.607  -3.222
   64    HG3  LYS  11           2HG      LYS  11   3.568  -6.902  -2.406
   65    HD2  LYS  11           1HD      LYS  11   4.351  -8.494  -4.191
   66    HD3  LYS  11           2HD      LYS  11   5.288  -7.164  -4.918
   67    HE2  LYS  11           1HE      LYS  11   6.477  -6.834  -2.763
   68    HE3  LYS  11           2HE      LYS  11   5.540  -8.150  -2.040
   69    HZ1  LYS  11           3HZ      LYS  11   6.600  -9.681  -3.600
   70    HZ2  LYS  11           1HZ      LYS  11   7.719  -8.881  -2.702
   71    HZ3  LYS  11           2HZ      LYS  11   7.473  -8.464  -4.271
   72    H    CYS  12           H        CYS  12   2.871  -3.785  -1.756
   73    HA   CYS  12           HA       CYS  12   2.910  -1.198  -2.781
   74    HB2  CYS  12           1HB      CYS  12   3.212  -1.704  -0.459
   75    HB3  CYS  12           2HB      CYS  12   4.635  -2.697  -0.789
   76    HA   PRO  13           HA       PRO  13   6.087  -1.378  -5.857
   77    HB2  PRO  13           1HB      PRO  13   6.515   1.316  -6.325
   78    HB3  PRO  13           2HB      PRO  13   5.123   0.364  -6.909
   79    HG2  PRO  13           1HG      PRO  13   5.252   2.236  -4.561
   80    HG3  PRO  13           2HG      PRO  13   3.907   1.952  -5.703
   81    HD2  PRO  13           1HD      PRO  13   4.027   0.875  -3.186
   82    HD3  PRO  13           2HD      PRO  13   3.134   0.145  -4.552
   83    H    TYR  14           H        TYR  14   6.780  -0.474  -2.691
   84    HA   TYR  14           HA       TYR  14   9.733  -0.308  -3.251
   85    HB2  TYR  14           1HB      TYR  14   8.092   1.067  -1.123
   86    HB3  TYR  14           2HB      TYR  14   9.846   1.048  -1.149
   87    HD1  TYR  14           1HD      TYR  14   6.821   2.253  -2.916
   88    HD2  TYR  14           2HD      TYR  14  11.106   2.528  -2.566
   89    HE1  TYR  14           1HE      TYR  14   6.828   4.229  -4.462
   90    HE2  TYR  14           2HE      TYR  14  11.099   4.545  -4.038
   91    HH   TYR  14           HH       TYR  14   8.096   5.801  -5.532
   92    H    CYS  15           H        CYS  15   7.242  -1.868  -1.273
   93    HA   CYS  15           HA       CYS  15   9.340  -3.633  -0.139
   94    HB2  CYS  15           1HB      CYS  15   8.634  -3.404   2.108
   95    HB3  CYS  15           2HB      CYS  15   8.982  -1.802   1.479
   96    H    ASP  16           H        ASP  16   8.196  -5.373   1.323
   97    HA   ASP  16           HA       ASP  16   6.620  -6.891  -0.612
   98    HB2  ASP  16           1HB      ASP  16   8.001  -7.647   1.970
   99    HB3  ASP  16           2HB      ASP  16   7.038  -8.783   1.029
  100    H    PHE  17           H        PHE  17   5.521  -4.773   1.638
  101    HA   PHE  17           HA       PHE  17   3.370  -6.411   2.763
  102    HB2  PHE  17           1HB      PHE  17   4.042  -3.471   2.971
  103    HB3  PHE  17           2HB      PHE  17   2.598  -4.178   3.674
  104    HD1  PHE  17           1HD      PHE  17   2.689  -5.713   5.578
  105    HD2  PHE  17           2HD      PHE  17   6.295  -4.033   3.915
  106    HE1  PHE  17           1HE      PHE  17   3.957  -6.436   7.588
  107    HE2  PHE  17           2HE      PHE  17   7.559  -4.755   5.925
  108    HZ   PHE  17           HZ       PHE  17   6.392  -5.959   7.765
  109    H    TYR  18           H        TYR  18   1.245  -6.378   2.354
  110    HA   TYR  18           HA       TYR  18   0.392  -5.400  -0.290
  111    HB2  TYR  18           1HB      TYR  18  -0.619  -7.569   1.556
  112    HB3  TYR  18           2HB      TYR  18  -1.556  -7.001   0.182
  113    HD1  TYR  18           1HD      TYR  18   1.671  -8.613   1.139
  114    HD2  TYR  18           2HD      TYR  18  -0.979  -7.503  -2.078
  115    HE1  TYR  18           1HE      TYR  18   3.062  -9.895  -0.449
  116    HE2  TYR  18           2HE      TYR  18   0.419  -8.755  -3.676
  117    HH   TYR  18           HH       TYR  18   2.246 -10.161  -3.944
  118    H    PHE  19           H        PHE  19  -1.522  -4.475  -0.738
  119    HA   PHE  19           HA       PHE  19  -3.140  -3.217   1.429
  120    HB2  PHE  19           1HB      PHE  19  -1.928  -1.911  -1.024
  121    HB3  PHE  19           2HB      PHE  19  -3.383  -1.276  -0.278
  122    HD1  PHE  19           1HD      PHE  19   0.219  -2.046   0.401
  123    HD2  PHE  19           2HD      PHE  19  -3.335   0.018   1.720
  124    HE1  PHE  19           1HE      PHE  19   1.529  -0.915   2.178
  125    HE2  PHE  19           2HE      PHE  19  -2.009   1.170   3.475
  126    HZ   PHE  19           HZ       PHE  19   0.412   0.680   3.727
  127    H    MET  20           H        MET  20  -5.288  -2.591   0.732
  128    HA   MET  20           HA       MET  20  -6.470  -4.059  -1.540
  129    HB2  MET  20           1HB      MET  20  -6.373  -5.218   1.040
  130    HB3  MET  20           2HB      MET  20  -7.982  -4.522   0.956
  131    HG2  MET  20           1HG      MET  20  -6.739  -6.482  -1.015
  132    HG3  MET  20           2HG      MET  20  -7.916  -6.855   0.239
  133    HE1  MET  20           3HE      MET  20  -9.841  -7.942  -1.006
  134    HE2  MET  20           1HE      MET  20 -10.249  -7.531  -2.688
  135    HE3  MET  20           2HE      MET  20  -8.609  -8.093  -2.281
  136    H    LYS  21           H        LYS  21  -8.703  -3.474  -1.895
  137    HA   LYS  21           HA       LYS  21 -10.290  -1.905  -2.376
  138    HB2  LYS  21           1HB      LYS  21 -10.251  -1.567   0.639
  139    HB3  LYS  21           2HB      LYS  21 -11.577  -1.134  -0.439
  140    HG2  LYS  21           1HG      LYS  21 -10.531  -3.958   0.059
  141    HG3  LYS  21           2HG      LYS  21 -11.984  -3.240   0.742
  142    HD2  LYS  21           1HD      LYS  21 -12.947  -2.996  -1.544
  143    HD3  LYS  21           2HD      LYS  21 -11.508  -3.795  -2.220
  144    HE2  LYS  21           1HE      LYS  21 -11.960  -5.803  -0.855
  145    HE3  LYS  21           2HE      LYS  21 -13.379  -5.019  -0.150
  146    HZ1  LYS  21           3HZ      LYS  21 -14.366  -4.936  -2.375
  147    HZ2  LYS  21           1HZ      LYS  21 -14.001  -6.477  -1.988
  148    HZ3  LYS  21           2HZ      LYS  21 -13.056  -5.656  -3.036
  149    H    ASN  22           H        ASN  22  -9.871   0.411   0.094
  150    HA   ASN  22           HA       ASN  22  -9.628   2.430  -1.955
  151    HB2  ASN  22           1HB      ASN  22 -11.073   2.560   0.081
  152    HB3  ASN  22           2HB      ASN  22  -9.625   2.740   1.075
  153   HD21  ASN  22          1HD2      ASN  22 -11.485   4.681   1.304
  154   HD22  ASN  22          2HD2      ASN  22 -10.963   6.129   0.455
  155    H    GLY  23           H        GLY  23  -7.912   3.474  -2.708
  156    HA2  GLY  23           1HA      GLY  23  -5.199   2.829  -1.904
  157    HA3  GLY  23           2HA      GLY  23  -5.702   3.942  -3.175
  158    H    SER  24           H        SER  24  -7.290   4.991  -0.396
  159    HA   SER  24           HA       SER  24  -5.771   7.366  -0.094
  160    HB2  SER  24           1HB      SER  24  -7.136   7.708   1.939
  161    HB3  SER  24           2HB      SER  24  -8.102   7.229   0.534
  162    HG   SER  24           HG       SER  24  -8.663   6.074   2.465
  163    H    ASP  25           H        ASP  25  -5.600   4.335   1.787
  164    HA   ASP  25           HA       ASP  25  -3.496   5.365   3.565
  165    HB2  ASP  25           1HB      ASP  25  -4.611   2.571   3.161
  166    HB3  ASP  25           2HB      ASP  25  -3.451   3.034   4.407
  167    H    LEU  26           H        LEU  26  -3.581   3.401   0.621
  168    HA   LEU  26           HA       LEU  26  -0.858   2.551   0.645
  169    HB2  LEU  26           1HB      LEU  26  -2.553   1.540  -0.802
  170    HB3  LEU  26           2HB      LEU  26  -2.804   3.077  -1.637
  171    HG   LEU  26           HG       LEU  26  -0.491   2.998  -2.522
  172   HD11  LEU  26          1HD1      LEU  26  -0.389   0.234  -1.251
  173   HD12  LEU  26          2HD1      LEU  26   0.608   1.625  -0.782
  174   HD13  LEU  26          3HD1      LEU  26   0.813   0.908  -2.374
  175   HD21  LEU  26          3HD2      LEU  26  -0.866   1.139  -4.106
  176   HD22  LEU  26          1HD2      LEU  26  -2.296   2.158  -3.877
  177   HD23  LEU  26          2HD2      LEU  26  -2.217   0.571  -3.089
  178    H    GLN  27           H        GLN  27  -2.383   5.513  -0.708
  179    HA   GLN  27           HA       GLN  27  -0.061   6.587  -1.947
  180    HB2  GLN  27           1HB      GLN  27  -2.554   7.845  -0.755
  181    HB3  GLN  27           2HB      GLN  27  -1.284   8.823  -1.505
  182    HG2  GLN  27           1HG      GLN  27  -1.521   7.760  -3.623
  183    HG3  GLN  27           2HG      GLN  27  -2.548   6.483  -2.971
  184   HE21  GLN  27          1HE2      GLN  27  -4.708   7.055  -2.213
  185   HE22  GLN  27          2HE2      GLN  27  -5.528   8.451  -2.933
  186    H    ARG  28           H        ARG  28  -1.224   7.088   1.413
  187    HA   ARG  28           HA       ARG  28   1.011   8.739   2.224
  188    HB2  ARG  28           1HB      ARG  28  -0.703   6.959   4.006
  189    HB3  ARG  28           2HB      ARG  28   0.329   8.307   4.508
  190    HG2  ARG  28           1HG      ARG  28  -1.120   9.767   2.931
  191    HG3  ARG  28           2HG      ARG  28  -2.247   8.415   2.918
  192    HD2  ARG  28           1HD      ARG  28  -1.372  10.118   5.273
  193    HD3  ARG  28           2HD      ARG  28  -2.993   9.987   4.597
  194    HE   ARG  28           HE       ARG  28  -1.749   8.273   6.577
  195   HH11  ARG  28          2HH1      ARG  28  -4.207   8.062   4.033
  196   HH12  ARG  28          1HH1      ARG  28  -4.924   6.670   4.843
  197   HH21  ARG  28          2HH2      ARG  28  -2.816   6.469   7.415
  198   HH22  ARG  28          1HH2      ARG  28  -4.193   5.842   6.508
  199    H    HIS  29           H        HIS  29   0.512   5.232   2.406
  200    HA   HIS  29           HA       HIS  29   2.982   4.584   3.689
  201    HB2  HIS  29           1HB      HIS  29   1.110   3.033   3.496
  202    HB3  HIS  29           2HB      HIS  29   1.266   2.995   1.742
  203    HD1  HIS  29           1HD      HIS  29   3.039   1.669   4.880
  204    HD2  HIS  29           2HD      HIS  29   3.155   1.461   0.682
  205    HE1  HIS  29           1HE      HIS  29   4.629  -0.229   4.329
  206    H    ILE  30           H        ILE  30   2.270   5.042   0.197
  207    HA   ILE  30           HA       ILE  30   4.977   4.407  -0.647
  208    HB   ILE  30           HB       ILE  30   2.610   5.770  -1.981
  209   HG12  ILE  30          1HG1      ILE  30   4.004   3.112  -2.567
  210   HG13  ILE  30          2HG1      ILE  30   2.595   3.256  -1.520
  211   HG21  ILE  30          1HG2      ILE  30   5.371   5.215  -3.115
  212   HG22  ILE  30          2HG2      ILE  30   3.962   5.629  -4.117
  213   HG23  ILE  30          3HG2      ILE  30   4.575   6.801  -2.960
  214   HD11  ILE  30          3HD1      ILE  30   2.695   3.896  -4.487
  215   HD12  ILE  30          1HD1      ILE  30   1.791   2.616  -3.680
  216   HD13  ILE  30          2HD1      ILE  30   1.339   4.324  -3.415
  217    H    TRP  31           H        TRP  31   3.255   7.530  -0.258
  218    HA   TRP  31           HA       TRP  31   5.412   9.267  -0.731
  219    HB2  TRP  31           1HB      TRP  31   3.074   9.443   1.177
  220    HB3  TRP  31           2HB      TRP  31   4.176  10.782   0.914
  221    HD1  TRP  31           1HD      TRP  31   4.405  10.225  -2.319
  222    HE1  TRP  31           1HE      TRP  31   2.517  10.963  -3.822
  223    HE3  TRP  31           3HE      TRP  31   0.733  10.763   1.223
  224    HZ2  TRP  31           2HZ      TRP  31  -0.282  11.714  -3.561
  225    HZ3  TRP  31           3HZ      TRP  31  -1.542  11.509   0.557
  226    HH2  TRP  31           2HH      TRP  31  -2.062  11.981  -1.827
  227    H    ALA  32           H        ALA  32   4.833   7.291   2.143
  228    HA   ALA  32           HA       ALA  32   6.875   8.516   3.779
  229    HB1  ALA  32           1HB      ALA  32   5.607   5.745   3.910
  230    HB2  ALA  32           2HB      ALA  32   6.548   6.520   5.200
  231    HB3  ALA  32           3HB      ALA  32   4.990   7.212   4.704
  232    H    HIS  33           H        HIS  33   6.940   5.714   1.504
  233    HA   HIS  33           HA       HIS  33   9.733   5.058   1.957
  234    HB2  HIS  33           1HB      HIS  33   7.894   4.553  -0.418
  235    HB3  HIS  33           2HB      HIS  33   9.534   3.953  -0.279
  236    HD1  HIS  33           1HD      HIS  33   9.888   2.379   2.142
  237    HD2  HIS  33           2HD      HIS  33   6.176   2.737   0.213
  238    HE1  HIS  33           1HE      HIS  33   8.572   0.313   2.794
  239    H    GLU  34           H        GLU  34   8.051   7.304  -0.257
  240    HA   GLU  34           HA       GLU  34  10.480   8.282  -1.518
  241    HB2  GLU  34           1HB      GLU  34   7.672   9.440  -1.341
  242    HB3  GLU  34           2HB      GLU  34   8.984  10.139  -2.293
  243    HG2  GLU  34           1HG      GLU  34   9.201   7.951  -3.515
  244    HG3  GLU  34           2HG      GLU  34   7.735   7.396  -2.701
  245    H    GLY  35           H        GLY  35   9.520   8.688   1.679
  246    HA2  GLY  35           1HA      GLY  35  10.486   9.910   3.356
  247    HA3  GLY  35           2HA      GLY  35  11.583  10.637   2.181
  248    H    VAL  36           H        VAL  36   8.111  10.975   1.724
  249    HA   VAL  36           HA       VAL  36   8.245  13.866   1.744
  250    HB   VAL  36           HB       VAL  36   5.828  12.028   1.688
  251   HG11  VAL  36          1HG1      VAL  36   4.677  13.936   0.598
  252   HG12  VAL  36          2HG1      VAL  36   5.140  14.305   2.255
  253   HG13  VAL  36          3HG1      VAL  36   6.096  14.960   0.904
  254   HG21  VAL  36          3HG2      VAL  36   7.336  11.592  -0.226
  255   HG22  VAL  36          1HG2      VAL  36   5.857  12.389  -0.757
  256   HG23  VAL  36          2HG2      VAL  36   7.363  13.325  -0.609
  257    H    LYS  37           H        LYS  37   7.620  15.323   3.252
  258    HA   LYS  37           HA       LYS  37   7.410  14.461   6.053
  259    HB2  LYS  37           1HB      LYS  37   7.539  17.224   4.787
  260    HB3  LYS  37           2HB      LYS  37   7.528  16.895   6.524
  261    HG2  LYS  37           1HG      LYS  37   9.611  15.528   6.265
  262    HG3  LYS  37           2HG      LYS  37   9.684  15.986   4.560
  263    HD2  LYS  37           1HD      LYS  37   9.787  17.916   6.919
  264    HD3  LYS  37           2HD      LYS  37  11.179  17.342   5.992
  265    HE2  LYS  37           1HE      LYS  37  10.221  18.356   3.926
  266    HE3  LYS  37           2HE      LYS  37   8.854  18.968   4.868
  267    HZ1  LYS  37           3HZ      LYS  37  11.693  19.723   5.308
  268    HZ2  LYS  37           1HZ      LYS  37  10.430  20.284   6.180
  269    HZ3  LYS  37           2HZ      LYS  37  10.564  20.664   4.599
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -12.737 -19.251   6.097
    2    H2   GLY   1           2H       GLY   1 -11.229 -18.641   6.295
    3    H3   GLY   1           3H       GLY   1 -11.526 -19.715   5.097
    4    HA2  GLY   1           1HA      GLY   1 -12.970 -18.162   3.965
    5    HA3  GLY   1           2HA      GLY   1 -12.670 -17.001   5.270
    6    H    SER   2           H        SER   2 -12.159 -16.586   2.464
    7    HA   SER   2           HA       SER   2  -9.267 -16.729   2.007
    8    HB2  SER   2           1HB      SER   2  -9.813 -15.641  -0.120
    9    HB3  SER   2           2HB      SER   2 -10.835 -17.057   0.163
   10    HG   SER   2           HG       SER   2 -11.982 -15.158  -0.582
   11    H    SER   3           H        SER   3  -8.094 -14.739   1.270
   12    HA   SER   3           HA       SER   3  -8.259 -12.606   3.276
   13    HB2  SER   3           1HB      SER   3  -6.429 -12.961   0.873
   14    HB3  SER   3           2HB      SER   3  -6.278 -11.696   2.103
   15    HG   SER   3           HG       SER   3  -6.127 -14.516   2.553
   16    H    GLY   4           H        GLY   4  -9.827 -13.044   0.292
   17    HA2  GLY   4           1HA      GLY   4 -11.229 -10.611   0.345
   18    HA3  GLY   4           2HA      GLY   4  -9.909 -10.407  -0.814
   19    H    SER   5           H        SER   5 -12.709 -10.373  -1.471
   20    HA   SER   5           HA       SER   5 -13.725 -12.881  -2.344
   21    HB2  SER   5           1HB      SER   5 -15.385 -11.498  -3.574
   22    HB3  SER   5           2HB      SER   5 -15.182 -11.029  -1.878
   23    HG   SER   5           HG       SER   5 -15.205  -9.214  -3.309
   24    H    SER   6           H        SER   6 -11.509 -10.713  -3.973
   25    HA   SER   6           HA       SER   6 -11.753 -11.983  -6.610
   26    HB2  SER   6           1HB      SER   6  -9.880 -10.489  -7.173
   27    HB3  SER   6           2HB      SER   6 -11.197  -9.601  -6.380
   28    HG   SER   6           HG       SER   6  -9.168  -9.053  -5.474
   29    H    GLY   7           H        GLY   7 -10.161 -12.835  -3.690
   30    HA2  GLY   7           1HA      GLY   7  -8.524 -14.353  -3.158
   31    HA3  GLY   7           2HA      GLY   7  -8.485 -14.895  -4.838
   32    H    ARG   8           H        ARG   8  -7.970 -11.501  -4.517
   33    HA   ARG   8           HA       ARG   8  -4.987 -11.753  -4.696
   34    HB2  ARG   8           1HB      ARG   8  -6.859 -10.258  -6.584
   35    HB3  ARG   8           2HB      ARG   8  -5.100 -10.101  -6.583
   36    HG2  ARG   8           1HG      ARG   8  -4.873 -12.528  -7.069
   37    HG3  ARG   8           2HG      ARG   8  -6.633 -12.675  -7.164
   38    HD2  ARG   8           1HD      ARG   8  -4.920 -10.873  -8.928
   39    HD3  ARG   8           2HD      ARG   8  -5.507 -12.462  -9.396
   40    HE   ARG   8           HE       ARG   8  -7.034  -9.960  -9.263
   41   HH11  ARG   8          2HH1      ARG   8  -7.398 -13.444  -9.418
   42   HH12  ARG   8          1HH1      ARG   8  -9.014 -13.334 -10.057
   43   HH21  ARG   8          2HH2      ARG   8  -9.091  -9.900 -10.091
   44   HH22  ARG   8          1HH2      ARG   8  -9.931 -11.380 -10.446
   45    H    ALA   9           H        ALA   9  -3.847  -9.737  -4.511
   46    HA   ALA   9           HA       ALA   9  -5.170  -7.414  -3.308
   47    HB1  ALA   9           1HB      ALA   9  -3.666  -7.391  -1.335
   48    HB2  ALA   9           2HB      ALA   9  -4.720  -8.816  -1.326
   49    HB3  ALA   9           3HB      ALA   9  -3.017  -8.978  -1.808
   50    H    MET  10           H        MET  10  -3.686  -5.595  -3.058
   51    HA   MET  10           HA       MET  10  -1.937  -5.315  -5.410
   52    HB2  MET  10           1HB      MET  10  -3.802  -3.717  -4.465
   53    HB3  MET  10           2HB      MET  10  -2.592  -3.221  -3.302
   54    HG2  MET  10           1HG      MET  10  -2.477  -3.017  -6.326
   55    HG3  MET  10           2HG      MET  10  -2.754  -1.706  -5.182
   56    HE1  MET  10           3HE      MET  10   0.725  -1.210  -3.530
   57    HE2  MET  10           1HE      MET  10  -1.027  -1.248  -3.229
   58    HE3  MET  10           2HE      MET  10  -0.057  -2.714  -3.025
   59    H    LYS  11           H        LYS  11   0.320  -5.351  -5.277
   60    HA   LYS  11           HA       LYS  11   1.609  -5.501  -2.586
   61    HB2  LYS  11           1HB      LYS  11   2.072  -7.271  -4.368
   62    HB3  LYS  11           2HB      LYS  11   2.913  -6.015  -5.285
   63    HG2  LYS  11           1HG      LYS  11   4.390  -5.613  -3.280
   64    HG3  LYS  11           2HG      LYS  11   3.550  -6.925  -2.441
   65    HD2  LYS  11           1HD      LYS  11   4.333  -8.501  -4.250
   66    HD3  LYS  11           2HD      LYS  11   5.246  -7.152  -4.973
   67    HE2  LYS  11           1HE      LYS  11   6.440  -6.819  -2.822
   68    HE3  LYS  11           2HE      LYS  11   5.521  -8.145  -2.101
   69    HZ1  LYS  11           3HZ      LYS  11   6.591  -9.659  -3.672
   70    HZ2  LYS  11           1HZ      LYS  11   7.693  -8.860  -2.755
   71    HZ3  LYS  11           2HZ      LYS  11   7.462  -8.430  -4.325
   72    H    CYS  12           H        CYS  12   2.717  -3.823  -1.759
   73    HA   CYS  12           HA       CYS  12   2.719  -1.245  -2.776
   74    HB2  CYS  12           1HB      CYS  12   3.091  -1.750  -0.464
   75    HB3  CYS  12           2HB      CYS  12   4.514  -2.731  -0.833
   76    HA   PRO  13           HA       PRO  13   5.830  -1.427  -5.925
   77    HB2  PRO  13           1HB      PRO  13   6.169   1.266  -6.479
   78    HB3  PRO  13           2HB      PRO  13   4.804   0.248  -7.018
   79    HG2  PRO  13           1HG      PRO  13   4.890   2.216  -4.757
   80    HG3  PRO  13           2HG      PRO  13   3.533   1.810  -5.845
   81    HD2  PRO  13           1HD      PRO  13   3.809   0.874  -3.268
   82    HD3  PRO  13           2HD      PRO  13   2.859   0.068  -4.552
   83    H    TYR  14           H        TYR  14   6.551  -0.459  -2.806
   84    HA   TYR  14           HA       TYR  14   9.485  -0.186  -3.403
   85    HB2  TYR  14           1HB      TYR  14   7.812   1.150  -1.277
   86    HB3  TYR  14           2HB      TYR  14   9.566   1.204  -1.320
   87    HD1  TYR  14           1HD      TYR  14   6.491   2.172  -3.170
   88    HD2  TYR  14           2HD      TYR  14  10.711   2.838  -2.639
   89    HE1  TYR  14           1HE      TYR  14   6.388   4.108  -4.758
   90    HE2  TYR  14           2HE      TYR  14  10.581   4.843  -4.124
   91    HH   TYR  14           HH       TYR  14   7.541   5.783  -5.783
   92    H    CYS  15           H        CYS  15   7.074  -1.876  -1.450
   93    HA   CYS  15           HA       CYS  15   9.229  -3.570  -0.344
   94    HB2  CYS  15           1HB      CYS  15   8.610  -3.363   1.918
   95    HB3  CYS  15           2HB      CYS  15   8.847  -1.740   1.298
   96    H    ASP  16           H        ASP  16   8.019  -5.263   1.237
   97    HA   ASP  16           HA       ASP  16   6.415  -6.840  -0.650
   98    HB2  ASP  16           1HB      ASP  16   7.786  -7.555   1.954
   99    HB3  ASP  16           2HB      ASP  16   6.841  -8.693   0.997
  100    H    PHE  17           H        PHE  17   5.382  -4.580   1.466
  101    HA   PHE  17           HA       PHE  17   3.313  -6.113   2.826
  102    HB2  PHE  17           1HB      PHE  17   4.545  -3.998   3.639
  103    HB3  PHE  17           2HB      PHE  17   3.411  -3.104   2.635
  104    HD1  PHE  17           1HD      PHE  17   3.855  -5.205   5.642
  105    HD2  PHE  17           2HD      PHE  17   0.987  -3.045   3.256
  106    HE1  PHE  17           1HE      PHE  17   2.205  -5.342   7.494
  107    HE2  PHE  17           2HE      PHE  17  -0.655  -3.176   5.104
  108    HZ   PHE  17           HZ       PHE  17  -0.052  -4.325   7.232
  109    H    TYR  18           H        TYR  18   1.165  -6.272   2.421
  110    HA   TYR  18           HA       TYR  18   0.217  -5.460  -0.248
  111    HB2  TYR  18           1HB      TYR  18  -0.641  -7.608   1.690
  112    HB3  TYR  18           2HB      TYR  18  -1.628  -7.147   0.308
  113    HD1  TYR  18           1HD      TYR  18  -0.966  -7.569  -1.969
  114    HD2  TYR  18           2HD      TYR  18   1.640  -8.609   1.304
  115    HE1  TYR  18           1HE      TYR  18   0.487  -8.798  -3.538
  116    HE2  TYR  18           2HE      TYR  18   3.104  -9.843  -0.253
  117    HH   TYR  18           HH       TYR  18   2.350 -10.159  -3.760
  118    H    PHE  19           H        PHE  19  -1.702  -4.609  -0.743
  119    HA   PHE  19           HA       PHE  19  -3.382  -3.315   1.359
  120    HB2  PHE  19           1HB      PHE  19  -2.181  -2.038  -1.131
  121    HB3  PHE  19           2HB      PHE  19  -3.511  -1.336  -0.228
  122    HD1  PHE  19           1HD      PHE  19   0.105  -2.230  -0.053
  123    HD2  PHE  19           2HD      PHE  19  -3.190  -0.208   1.873
  124    HE1  PHE  19           1HE      PHE  19   1.678  -1.191   1.561
  125    HE2  PHE  19           2HE      PHE  19  -1.606   0.825   3.481
  126    HZ   PHE  19           HZ       PHE  19   0.812   0.300   3.357
  127    H    MET  20           H        MET  20  -5.547  -2.840   0.701
  128    HA   MET  20           HA       MET  20  -6.490  -3.723  -1.924
  129    HB2  MET  20           1HB      MET  20  -6.499  -5.813  -0.554
  130    HB3  MET  20           2HB      MET  20  -7.562  -5.028   0.618
  131    HG2  MET  20           1HG      MET  20  -8.771  -6.521  -0.908
  132    HG3  MET  20           2HG      MET  20  -9.335  -4.861  -1.039
  133    HE1  MET  20           3HE      MET  20  -9.939  -7.299  -3.102
  134    HE2  MET  20           1HE      MET  20 -10.640  -5.668  -3.242
  135    HE3  MET  20           2HE      MET  20  -9.842  -6.417  -4.642
  136    H    LYS  21           H        LYS  21  -8.170  -2.572  -2.582
  137    HA   LYS  21           HA       LYS  21  -9.604  -0.885  -2.882
  138    HB2  LYS  21           1HB      LYS  21 -10.571  -1.743  -0.141
  139    HB3  LYS  21           2HB      LYS  21 -11.408  -0.572  -1.165
  140    HG2  LYS  21           1HG      LYS  21 -11.623  -2.241  -2.969
  141    HG3  LYS  21           2HG      LYS  21 -10.796  -3.447  -1.969
  142    HD2  LYS  21           1HD      LYS  21 -12.588  -3.272  -0.262
  143    HD3  LYS  21           2HD      LYS  21 -13.418  -2.058  -1.261
  144    HE2  LYS  21           1HE      LYS  21 -13.606  -3.724  -3.105
  145    HE3  LYS  21           2HE      LYS  21 -12.806  -4.932  -2.091
  146    HZ1  LYS  21           3HZ      LYS  21 -14.665  -4.745  -0.519
  147    HZ2  LYS  21           1HZ      LYS  21 -15.222  -5.160  -1.997
  148    HZ3  LYS  21           2HZ      LYS  21 -15.404  -3.632  -1.459
  149    H    ASN  22           H        ASN  22  -8.006  -0.304   0.253
  150    HA   ASN  22           HA       ASN  22  -8.722   2.517   0.201
  151    HB2  ASN  22           1HB      ASN  22  -8.615   1.128   2.254
  152    HB3  ASN  22           2HB      ASN  22  -6.859   1.034   2.088
  153   HD21  ASN  22          2HD2      ASN  22  -7.945   2.063   4.403
  154   HD22  ASN  22          1HD2      ASN  22  -7.691   3.802   4.438
  155    H    GLY  23           H        GLY  23  -7.841   3.071  -1.862
  156    HA2  GLY  23           1HA      GLY  23  -5.080   3.140  -2.527
  157    HA3  GLY  23           2HA      GLY  23  -6.335   4.198  -3.179
  158    H    SER  24           H        SER  24  -6.954   5.354  -0.450
  159    HA   SER  24           HA       SER  24  -5.075   7.535  -0.489
  160    HB2  SER  24           1HB      SER  24  -7.142   6.795   1.616
  161    HB3  SER  24           2HB      SER  24  -6.316   8.357   1.456
  162    HG   SER  24           HG       SER  24  -8.394   8.361   0.462
  163    H    ASP  25           H        ASP  25  -5.534   4.801   1.822
  164    HA   ASP  25           HA       ASP  25  -3.295   5.601   3.482
  165    HB2  ASP  25           1HB      ASP  25  -5.247   4.232   4.225
  166    HB3  ASP  25           2HB      ASP  25  -4.629   2.884   3.259
  167    H    LEU  26           H        LEU  26  -3.616   3.422   0.667
  168    HA   LEU  26           HA       LEU  26  -0.915   2.460   0.642
  169    HB2  LEU  26           1HB      LEU  26  -2.627   1.439  -0.741
  170    HB3  LEU  26           2HB      LEU  26  -2.947   2.966  -1.562
  171    HG   LEU  26           HG       LEU  26  -0.670   2.923  -2.564
  172   HD11  LEU  26          1HD1      LEU  26   0.508   1.534  -0.879
  173   HD12  LEU  26          2HD1      LEU  26   0.661   0.859  -2.498
  174   HD13  LEU  26          3HD1      LEU  26  -0.488   0.144  -1.349
  175   HD21  LEU  26          3HD2      LEU  26  -2.544   2.066  -3.830
  176   HD22  LEU  26          1HD2      LEU  26  -2.395   0.475  -3.059
  177   HD23  LEU  26          2HD2      LEU  26  -1.109   1.075  -4.142
  178    H    GLN  27           H        GLN  27  -2.382   5.397  -0.905
  179    HA   GLN  27           HA       GLN  27   0.009   6.378  -2.052
  180    HB2  GLN  27           1HB      GLN  27  -2.236   7.126  -2.655
  181    HB3  GLN  27           2HB      GLN  27  -2.464   7.854  -1.058
  182    HG2  GLN  27           1HG      GLN  27  -0.702   9.480  -1.500
  183    HG3  GLN  27           2HG      GLN  27  -0.292   8.680  -3.027
  184   HE21  GLN  27          1HE2      GLN  27  -3.014  10.391  -1.351
  185   HE22  GLN  27          2HE2      GLN  27  -3.718  10.988  -2.846
  186    H    ARG  28           H        ARG  28  -1.363   6.997   1.218
  187    HA   ARG  28           HA       ARG  28   0.745   8.700   2.159
  188    HB2  ARG  28           1HB      ARG  28  -1.492   8.400   3.217
  189    HB3  ARG  28           2HB      ARG  28  -1.024   6.773   3.729
  190    HG2  ARG  28           1HG      ARG  28   0.803   7.727   5.113
  191    HG3  ARG  28           2HG      ARG  28   0.375   9.358   4.558
  192    HD2  ARG  28           1HD      ARG  28  -1.890   9.089   5.578
  193    HD3  ARG  28           2HD      ARG  28  -1.452   7.463   6.100
  194    HE   ARG  28           HE       ARG  28  -0.134   8.313   7.815
  195   HH11  ARG  28          2HH1      ARG  28  -1.135  11.038   5.842
  196   HH12  ARG  28          1HH1      ARG  28  -0.592  12.199   7.021
  197   HH21  ARG  28          1HH2      ARG  28   0.531   9.849   9.263
  198   HH22  ARG  28          2HH2      ARG  28   0.325  11.539   8.903
  199    H    HIS  29           H        HIS  29   0.442   5.126   2.311
  200    HA   HIS  29           HA       HIS  29   2.921   4.649   3.656
  201    HB2  HIS  29           1HB      HIS  29   1.135   3.010   3.535
  202    HB3  HIS  29           2HB      HIS  29   1.236   2.947   1.781
  203    HD1  HIS  29           1HD      HIS  29   3.164   1.742   4.876
  204    HD2  HIS  29           2HD      HIS  29   3.044   1.383   0.690
  205    HE1  HIS  29           1HE      HIS  29   4.689  -0.206   4.308
  206    H    ILE  30           H        ILE  30   2.212   4.976   0.146
  207    HA   ILE  30           HA       ILE  30   4.930   4.406  -0.668
  208    HB   ILE  30           HB       ILE  30   2.563   5.759  -2.019
  209   HG12  ILE  30          1HG1      ILE  30   3.937   3.112  -2.665
  210   HG13  ILE  30          2HG1      ILE  30   2.586   3.222  -1.541
  211   HG21  ILE  30          1HG2      ILE  30   4.489   6.788  -3.019
  212   HG22  ILE  30          2HG2      ILE  30   5.351   5.233  -3.084
  213   HG23  ILE  30          3HG2      ILE  30   3.966   5.540  -4.153
  214   HD11  ILE  30          3HD1      ILE  30   2.501   3.956  -4.492
  215   HD12  ILE  30          1HD1      ILE  30   1.692   2.611  -3.686
  216   HD13  ILE  30          2HD1      ILE  30   1.198   4.286  -3.325
  217    H    TRP  31           H        TRP  31   3.179   7.501  -0.243
  218    HA   TRP  31           HA       TRP  31   5.342   9.285  -0.630
  219    HB2  TRP  31           1HB      TRP  31   2.905   9.332   1.151
  220    HB3  TRP  31           2HB      TRP  31   4.032  10.672   1.117
  221    HD1  TRP  31           1HD      TRP  31   4.304  10.055  -2.274
  222    HE1  TRP  31           1HE      TRP  31   2.623  11.274  -3.707
  223    HE3  TRP  31           3HE      TRP  31   0.836  11.162   1.342
  224    HZ2  TRP  31           2HZ      TRP  31   0.074  12.632  -3.362
  225    HZ3  TRP  31           3HZ      TRP  31  -1.210  12.447   0.750
  226    HH2  TRP  31           2HH      TRP  31  -1.594  13.192  -1.589
  227    H    ALA  32           H        ALA  32   4.723   7.166   2.132
  228    HA   ALA  32           HA       ALA  32   6.701   8.420   3.837
  229    HB1  ALA  32           1HB      ALA  32   6.341   6.447   5.270
  230    HB2  ALA  32           2HB      ALA  32   4.785   7.089   4.702
  231    HB3  ALA  32           3HB      ALA  32   5.473   5.627   3.959
  232    H    HIS  33           H        HIS  33   6.836   5.629   1.556
  233    HA   HIS  33           HA       HIS  33   9.614   4.973   2.061
  234    HB2  HIS  33           1HB      HIS  33   7.824   4.547  -0.367
  235    HB3  HIS  33           2HB      HIS  33   9.474   3.965  -0.244
  236    HD1  HIS  33           1HD      HIS  33   9.869   2.271   2.051
  237    HD2  HIS  33           2HD      HIS  33   6.099   2.726   0.258
  238    HE1  HIS  33           1HE      HIS  33   8.567   0.179   2.646
  239    H    GLU  34           H        GLU  34   8.007   7.223  -0.202
  240    HA   GLU  34           HA       GLU  34  10.469   8.260  -1.331
  241    HB2  GLU  34           1HB      GLU  34   7.571   9.146  -1.334
  242    HB3  GLU  34           2HB      GLU  34   8.819  10.109  -2.114
  243    HG2  GLU  34           1HG      GLU  34   8.396   7.176  -2.800
  244    HG3  GLU  34           2HG      GLU  34   7.514   8.482  -3.582
  245    H    GLY  35           H        GLY  35   9.340   8.688   1.801
  246    HA2  GLY  35           1HA      GLY  35  10.113  10.010   3.503
  247    HA3  GLY  35           2HA      GLY  35  11.355  10.625   2.409
  248    H    VAL  36           H        VAL  36   7.899  11.011   1.759
  249    HA   VAL  36           HA       VAL  36   8.132  13.834   1.307
  250    HB   VAL  36           HB       VAL  36   5.659  12.105   1.631
  251   HG11  VAL  36          1HG1      VAL  36   5.020  14.456   1.830
  252   HG12  VAL  36          2HG1      VAL  36   5.958  14.860   0.369
  253   HG13  VAL  36          3HG1      VAL  36   4.513  13.828   0.264
  254   HG21  VAL  36          3HG2      VAL  36   7.165  12.974  -0.878
  255   HG22  VAL  36          1HG2      VAL  36   7.114  11.328  -0.216
  256   HG23  VAL  36          2HG2      VAL  36   5.640  12.060  -0.843
  257    H    LYS  37           H        LYS  37   7.594  15.578   2.484
  258    HA   LYS  37           HA       LYS  37   6.381  15.408   5.161
  259    HB2  LYS  37           1HB      LYS  37   8.219  16.595   6.246
  260    HB3  LYS  37           2HB      LYS  37   8.735  15.024   5.639
  261    HG2  LYS  37           1HG      LYS  37   9.806  16.135   3.676
  262    HG3  LYS  37           2HG      LYS  37   9.290  17.712   4.306
  263    HD2  LYS  37           1HD      LYS  37  10.654  17.348   6.349
  264    HD3  LYS  37           2HD      LYS  37  11.102  15.741   5.764
  265    HE2  LYS  37           1HE      LYS  37  12.946  17.191   5.317
  266    HE3  LYS  37           2HE      LYS  37  12.199  16.768   3.775
  267    HZ1  LYS  37           3HZ      LYS  37  11.769  19.327   5.236
  268    HZ2  LYS  37           1HZ      LYS  37  11.107  18.953   3.787
  269    HZ3  LYS  37           2HZ      LYS  37  12.718  19.145   3.924
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1   6.270 -23.073 -11.970
    2    H2   GLY   1           2H       GLY   1   5.452 -21.704 -11.591
    3    H3   GLY   1           3H       GLY   1   4.666 -23.138 -11.635
    4    HA2  GLY   1           1HA      GLY   1   5.941 -23.971  -9.768
    5    HA3  GLY   1           2HA      GLY   1   6.786 -22.414  -9.717
    6    H    SER   2           H        SER   2   5.847 -22.835  -7.424
    7    HA   SER   2           HA       SER   2   3.008 -22.205  -7.069
    8    HB2  SER   2           1HB      SER   2   5.155 -22.717  -4.988
    9    HB3  SER   2           2HB      SER   2   3.402 -22.739  -4.733
   10    HG   SER   2           HG       SER   2   3.256 -24.537  -6.109
   11    H    SER   3           H        SER   3   5.302 -20.069  -7.780
   12    HA   SER   3           HA       SER   3   5.142 -18.129  -5.642
   13    HB2  SER   3           1HB      SER   3   6.280 -16.650  -7.308
   14    HB3  SER   3           2HB      SER   3   7.103 -18.184  -6.990
   15    HG   SER   3           HG       SER   3   6.984 -17.685  -9.240
   16    H    GLY   4           H        GLY   4   4.313 -15.965  -5.829
   17    HA2  GLY   4           1HA      GLY   4   2.688 -14.367  -6.264
   18    HA3  GLY   4           2HA      GLY   4   2.178 -15.269  -7.685
   19    H    SER   5           H        SER   5   0.079 -14.383  -6.746
   20    HA   SER   5           HA       SER   5  -1.320 -16.545  -5.325
   21    HB2  SER   5           1HB      SER   5  -2.317 -15.095  -3.649
   22    HB3  SER   5           2HB      SER   5  -0.557 -15.083  -3.492
   23    HG   SER   5           HG       SER   5  -1.405 -12.972  -3.360
   24    H    SER   6           H        SER   6  -3.646 -16.350  -5.390
   25    HA   SER   6           HA       SER   6  -4.572 -15.175  -7.939
   26    HB2  SER   6           1HB      SER   6  -5.933 -17.156  -6.089
   27    HB3  SER   6           2HB      SER   6  -6.444 -16.709  -7.727
   28    HG   SER   6           HG       SER   6  -5.227 -18.659  -7.699
   29    H    GLY   7           H        GLY   7  -4.556 -13.954  -4.877
   30    HA2  GLY   7           1HA      GLY   7  -7.293 -13.086  -4.513
   31    HA3  GLY   7           2HA      GLY   7  -5.880 -12.504  -3.642
   32    H    ARG   8           H        ARG   8  -7.948 -10.826  -4.329
   33    HA   ARG   8           HA       ARG   8  -7.292  -9.322  -6.759
   34    HB2  ARG   8           1HB      ARG   8  -9.247  -8.040  -6.330
   35    HB3  ARG   8           2HB      ARG   8  -9.642  -9.734  -6.068
   36    HG2  ARG   8           1HG      ARG   8  -9.657  -9.457  -3.661
   37    HG3  ARG   8           2HG      ARG   8  -8.887  -7.874  -3.773
   38    HD2  ARG   8           1HD      ARG   8 -10.944  -7.089  -5.090
   39    HD3  ARG   8           2HD      ARG   8 -11.703  -8.612  -4.629
   40    HE   ARG   8           HE       ARG   8 -12.014  -7.790  -2.476
   41   HH11  ARG   8          2HH1      ARG   8  -9.682  -5.641  -4.025
   42   HH12  ARG   8          1HH1      ARG   8  -9.628  -4.605  -2.609
   43   HH21  ARG   8          2HH2      ARG   8 -11.900  -6.306  -0.781
   44   HH22  ARG   8          1HH2      ARG   8 -10.785  -4.955  -0.921
   45    H    ALA   9           H        ALA   9  -5.704  -9.260  -3.965
   46    HA   ALA   9           HA       ALA   9  -5.530  -6.439  -3.370
   47    HB1  ALA   9           1HB      ALA   9  -5.129  -8.268  -1.737
   48    HB2  ALA   9           2HB      ALA   9  -3.678  -8.738  -2.661
   49    HB3  ALA   9           3HB      ALA   9  -3.747  -7.147  -1.873
   50    H    MET  10           H        MET  10  -3.318  -5.444  -3.185
   51    HA   MET  10           HA       MET  10  -1.644  -5.799  -5.634
   52    HB2  MET  10           1HB      MET  10  -1.612  -3.534  -6.012
   53    HB3  MET  10           2HB      MET  10  -3.255  -3.777  -5.417
   54    HG2  MET  10           1HG      MET  10  -2.651  -1.899  -4.266
   55    HG3  MET  10           2HG      MET  10  -2.270  -3.135  -3.078
   56    HE1  MET  10           3HE      MET  10   0.388  -3.426  -2.096
   57    HE2  MET  10           1HE      MET  10   1.010  -1.776  -1.970
   58    HE3  MET  10           2HE      MET  10  -0.690  -2.114  -1.610
   59    H    LYS  11           H        LYS  11   0.612  -5.198  -5.360
   60    HA   LYS  11           HA       LYS  11   1.648  -5.436  -2.557
   61    HB2  LYS  11           1HB      LYS  11   2.037  -7.402  -4.121
   62    HB3  LYS  11           2HB      LYS  11   3.071  -6.337  -5.078
   63    HG2  LYS  11           1HG      LYS  11   4.494  -5.958  -3.034
   64    HG3  LYS  11           2HG      LYS  11   3.442  -7.071  -2.134
   65    HD2  LYS  11           1HD      LYS  11   4.016  -8.875  -3.811
   66    HD3  LYS  11           2HD      LYS  11   5.088  -7.731  -4.620
   67    HE2  LYS  11           1HE      LYS  11   6.471  -9.097  -3.258
   68    HE3  LYS  11           2HE      LYS  11   6.402  -7.505  -2.489
   69    HZ1  LYS  11           3HZ      LYS  11   6.128  -9.355  -0.899
   70    HZ2  LYS  11           1HZ      LYS  11   4.756  -9.847  -1.667
   71    HZ3  LYS  11           2HZ      LYS  11   4.817  -8.399  -0.896
   72    H    CYS  12           H        CYS  12   3.074  -3.966  -1.857
   73    HA   CYS  12           HA       CYS  12   3.052  -1.386  -2.842
   74    HB2  CYS  12           1HB      CYS  12   3.442  -2.028  -0.548
   75    HB3  CYS  12           2HB      CYS  12   4.946  -2.848  -0.979
   76    HA   PRO  13           HA       PRO  13   6.209  -1.432  -5.976
   77    HB2  PRO  13           1HB      PRO  13   6.456   1.282  -6.461
   78    HB3  PRO  13           2HB      PRO  13   5.159   0.220  -7.072
   79    HG2  PRO  13           1HG      PRO  13   5.066   2.158  -4.792
   80    HG3  PRO  13           2HG      PRO  13   3.768   1.683  -5.920
   81    HD2  PRO  13           1HD      PRO  13   4.047   0.742  -3.331
   82    HD3  PRO  13           2HD      PRO  13   3.135  -0.075  -4.633
   83    H    TYR  14           H        TYR  14   6.773  -0.452  -2.808
   84    HA   TYR  14           HA       TYR  14   9.713  -0.059  -3.298
   85    HB2  TYR  14           1HB      TYR  14   7.895   1.237  -1.268
   86    HB3  TYR  14           2HB      TYR  14   9.647   1.348  -1.216
   87    HD1  TYR  14           1HD      TYR  14   6.645   2.202  -3.226
   88    HD2  TYR  14           2HD      TYR  14  10.815   2.990  -2.514
   89    HE1  TYR  14           1HE      TYR  14   6.558   4.114  -4.842
   90    HE2  TYR  14           2HE      TYR  14  10.699   4.972  -4.029
   91    HH   TYR  14           HH       TYR  14   7.712   5.814  -5.830
   92    H    CYS  15           H        CYS  15   7.295  -1.765  -1.342
   93    HA   CYS  15           HA       CYS  15   9.489  -3.336  -0.114
   94    HB2  CYS  15           1HB      CYS  15   8.799  -3.076   2.095
   95    HB3  CYS  15           2HB      CYS  15   8.879  -1.461   1.426
   96    H    ASP  16           H        ASP  16   8.138  -4.939   1.550
   97    HA   ASP  16           HA       ASP  16   7.068  -6.889  -0.335
   98    HB2  ASP  16           1HB      ASP  16   8.748  -7.385   1.442
   99    HB3  ASP  16           2HB      ASP  16   7.528  -7.038   2.669
  100    H    PHE  17           H        PHE  17   5.573  -4.514   1.658
  101    HA   PHE  17           HA       PHE  17   3.391  -6.078   2.650
  102    HB2  PHE  17           1HB      PHE  17   4.456  -4.014   3.652
  103    HB3  PHE  17           2HB      PHE  17   3.584  -3.062   2.458
  104    HD1  PHE  17           1HD      PHE  17   3.049  -5.639   5.157
  105    HD2  PHE  17           2HD      PHE  17   1.422  -2.268   3.021
  106    HE1  PHE  17           1HE      PHE  17   1.106  -5.592   6.707
  107    HE2  PHE  17           2HE      PHE  17  -0.515  -2.217   4.572
  108    HZ   PHE  17           HZ       PHE  17  -0.676  -3.878   6.418
  109    H    TYR  18           H        TYR  18   1.135  -5.831   2.317
  110    HA   TYR  18           HA       TYR  18   0.328  -5.205  -0.485
  111    HB2  TYR  18           1HB      TYR  18  -0.757  -7.285   1.447
  112    HB3  TYR  18           2HB      TYR  18  -1.429  -6.938  -0.135
  113    HD1  TYR  18           1HD      TYR  18   1.593  -8.252   1.617
  114    HD2  TYR  18           2HD      TYR  18  -0.535  -7.915  -2.121
  115    HE1  TYR  18           1HE      TYR  18   3.134  -9.885   0.595
  116    HE2  TYR  18           2HE      TYR  18   1.004  -9.561  -3.150
  117    HH   TYR  18           HH       TYR  18   2.752 -11.019  -2.800
  118    H    PHE  19           H        PHE  19  -1.733  -4.402  -0.917
  119    HA   PHE  19           HA       PHE  19  -3.468  -3.590   1.355
  120    HB2  PHE  19           1HB      PHE  19  -2.603  -1.699  -0.857
  121    HB3  PHE  19           2HB      PHE  19  -4.086  -1.493   0.027
  122    HD1  PHE  19           1HD      PHE  19  -0.371  -1.458   0.424
  123    HD2  PHE  19           2HD      PHE  19  -4.191  -0.665   2.268
  124    HE1  PHE  19           1HE      PHE  19   0.749  -0.131   2.178
  125    HE2  PHE  19           2HE      PHE  19  -3.045   0.604   4.066
  126    HZ   PHE  19           HZ       PHE  19  -0.580   0.908   4.006
  127    H    MET  20           H        MET  20  -5.620  -3.608   0.972
  128    HA   MET  20           HA       MET  20  -6.662  -4.451  -1.682
  129    HB2  MET  20           1HB      MET  20  -8.075  -6.190  -0.485
  130    HB3  MET  20           2HB      MET  20  -6.366  -6.520  -0.675
  131    HG2  MET  20           1HG      MET  20  -7.065  -7.233   1.506
  132    HG3  MET  20           2HG      MET  20  -5.906  -5.933   1.641
  133    HE1  MET  20           3HE      MET  20  -9.364  -7.301   2.489
  134    HE2  MET  20           1HE      MET  20 -10.348  -5.874   2.874
  135    HE3  MET  20           2HE      MET  20  -9.878  -6.200   1.190
  136    H    LYS  21           H        LYS  21  -6.963  -2.203   0.707
  137    HA   LYS  21           HA       LYS  21  -9.583  -1.325  -0.329
  138    HB2  LYS  21           1HB      LYS  21  -8.987  -1.807   2.620
  139    HB3  LYS  21           2HB      LYS  21 -10.156  -0.593   2.099
  140    HG2  LYS  21           1HG      LYS  21 -11.458  -2.309   0.889
  141    HG3  LYS  21           2HG      LYS  21 -10.329  -3.559   1.444
  142    HD2  LYS  21           1HD      LYS  21 -10.887  -3.063   3.793
  143    HD3  LYS  21           2HD      LYS  21 -11.970  -1.753   3.275
  144    HE2  LYS  21           1HE      LYS  21 -13.362  -3.392   2.032
  145    HE3  LYS  21           2HE      LYS  21 -12.297  -4.701   2.558
  146    HZ1  LYS  21           3HZ      LYS  21 -12.920  -4.187   4.864
  147    HZ2  LYS  21           1HZ      LYS  21 -14.252  -4.526   3.987
  148    HZ3  LYS  21           2HZ      LYS  21 -13.906  -2.981   4.372
  149    H    ASN  22           H        ASN  22  -9.890   0.812  -0.269
  150    HA   ASN  22           HA       ASN  22  -9.443   2.945  -0.658
  151    HB2  ASN  22           1HB      ASN  22  -9.809   2.997   1.746
  152    HB3  ASN  22           2HB      ASN  22  -8.082   2.749   2.034
  153   HD21  ASN  22          1HD2      ASN  22  -7.737   4.744   3.102
  154   HD22  ASN  22          2HD2      ASN  22  -7.784   6.260   2.177
  155    H    GLY  23           H        GLY  23  -8.335   3.847  -2.188
  156    HA2  GLY  23           1HA      GLY  23  -5.618   3.346  -2.870
  157    HA3  GLY  23           2HA      GLY  23  -6.612   4.688  -3.442
  158    H    SER  24           H        SER  24  -6.987   5.909  -0.702
  159    HA   SER  24           HA       SER  24  -4.482   7.389  -0.762
  160    HB2  SER  24           1HB      SER  24  -5.439   8.983   0.612
  161    HB3  SER  24           2HB      SER  24  -6.734   8.438  -0.463
  162    HG   SER  24           HG       SER  24  -7.535   8.546   1.605
  163    H    ASP  25           H        ASP  25  -5.589   4.743   1.217
  164    HA   ASP  25           HA       ASP  25  -3.589   5.112   3.332
  165    HB2  ASP  25           1HB      ASP  25  -5.416   2.845   2.512
  166    HB3  ASP  25           2HB      ASP  25  -4.102   2.595   3.656
  167    H    LEU  26           H        LEU  26  -3.727   3.398   0.199
  168    HA   LEU  26           HA       LEU  26  -1.024   2.355   0.394
  169    HB2  LEU  26           1HB      LEU  26  -2.639   1.343  -1.108
  170    HB3  LEU  26           2HB      LEU  26  -2.888   2.869  -1.956
  171    HG   LEU  26           HG       LEU  26  -0.569   2.825  -2.801
  172   HD11  LEU  26          1HD1      LEU  26   0.749   0.689  -2.564
  173   HD12  LEU  26          2HD1      LEU  26  -0.418   0.175  -1.326
  174   HD13  LEU  26          3HD1      LEU  26   0.607   1.594  -1.056
  175   HD21  LEU  26          3HD2      LEU  26  -2.360   1.813  -4.125
  176   HD22  LEU  26          1HD2      LEU  26  -2.108   0.257  -3.302
  177   HD23  LEU  26          2HD2      LEU  26  -0.835   0.937  -4.343
  178    H    GLN  27           H        GLN  27  -2.451   5.309  -1.097
  179    HA   GLN  27           HA       GLN  27  -0.089   6.314  -2.224
  180    HB2  GLN  27           1HB      GLN  27  -2.475   7.080  -2.579
  181    HB3  GLN  27           2HB      GLN  27  -2.343   7.993  -1.064
  182    HG2  GLN  27           1HG      GLN  27  -0.495   9.318  -2.035
  183    HG3  GLN  27           2HG      GLN  27  -0.532   8.328  -3.496
  184   HE21  GLN  27          1HE2      GLN  27  -0.927  10.292  -4.773
  185   HE22  GLN  27          2HE2      GLN  27  -2.535  11.000  -4.778
  186    H    ARG  28           H        ARG  28  -1.365   6.962   1.097
  187    HA   ARG  28           HA       ARG  28   0.902   8.580   1.865
  188    HB2  ARG  28           1HB      ARG  28   0.026   8.690   3.987
  189    HB3  ARG  28           2HB      ARG  28  -1.336   8.711   2.871
  190    HG2  ARG  28           1HG      ARG  28  -1.603   6.201   3.359
  191    HG3  ARG  28           2HG      ARG  28  -0.381   6.405   4.622
  192    HD2  ARG  28           1HD      ARG  28  -2.383   6.657   5.782
  193    HD3  ARG  28           2HD      ARG  28  -1.848   8.329   5.485
  194    HE   ARG  28           HE       ARG  28  -3.523   7.578   3.326
  195   HH11  ARG  28          2HH1      ARG  28  -3.922   8.106   6.767
  196   HH12  ARG  28          1HH1      ARG  28  -5.623   8.453   6.619
  197   HH21  ARG  28          2HH2      ARG  28  -5.748   8.002   3.213
  198   HH22  ARG  28          1HH2      ARG  28  -6.600   8.413   4.668
  199    H    HIS  29           H        HIS  29   0.378   5.074   2.037
  200    HA   HIS  29           HA       HIS  29   2.755   4.475   3.560
  201    HB2  HIS  29           1HB      HIS  29   0.938   2.884   3.339
  202    HB3  HIS  29           2HB      HIS  29   1.108   2.846   1.588
  203    HD1  HIS  29           1HD      HIS  29   2.686   1.373   4.720
  204    HD2  HIS  29           2HD      HIS  29   3.165   1.454   0.546
  205    HE1  HIS  29           1HE      HIS  29   4.320  -0.493   4.177
  206    H    ILE  30           H        ILE  30   2.179   4.874   0.035
  207    HA   ILE  30           HA       ILE  30   4.920   4.274  -0.696
  208    HB   ILE  30           HB       ILE  30   2.607   5.641  -2.117
  209   HG12  ILE  30          1HG1      ILE  30   4.008   2.982  -2.674
  210   HG13  ILE  30          2HG1      ILE  30   2.586   3.122  -1.643
  211   HG21  ILE  30          1HG2      ILE  30   4.062   5.460  -4.201
  212   HG22  ILE  30          2HG2      ILE  30   4.591   6.669  -3.035
  213   HG23  ILE  30          3HG2      ILE  30   5.420   5.099  -3.114
  214   HD11  ILE  30          3HD1      ILE  30   2.711   3.788  -4.603
  215   HD12  ILE  30          1HD1      ILE  30   1.820   2.482  -3.818
  216   HD13  ILE  30          2HD1      ILE  30   1.340   4.178  -3.534
  217    H    TRP  31           H        TRP  31   3.181   7.378  -0.328
  218    HA   TRP  31           HA       TRP  31   5.356   9.148  -0.652
  219    HB2  TRP  31           1HB      TRP  31   2.887   9.219   1.077
  220    HB3  TRP  31           2HB      TRP  31   4.026  10.545   1.079
  221    HD1  TRP  31           1HD      TRP  31   4.473  10.153  -2.257
  222    HE1  TRP  31           1HE      TRP  31   2.817  11.362  -3.727
  223    HE3  TRP  31           3HE      TRP  31   0.704  10.826   1.166
  224    HZ2  TRP  31           2HZ      TRP  31   0.186  12.570  -3.475
  225    HZ3  TRP  31           3HZ      TRP  31  -1.375  12.018   0.506
  226    HH2  TRP  31           2HH      TRP  31  -1.642  12.897  -1.801
  227    H    ALA  32           H        ALA  32   4.702   7.044   2.109
  228    HA   ALA  32           HA       ALA  32   6.602   8.318   3.883
  229    HB1  ALA  32           1HB      ALA  32   6.259   6.304   5.264
  230    HB2  ALA  32           2HB      ALA  32   4.705   6.932   4.675
  231    HB3  ALA  32           3HB      ALA  32   5.435   5.499   3.915
  232    H    HIS  33           H        HIS  33   6.868   5.593   1.546
  233    HA   HIS  33           HA       HIS  33   9.647   4.990   2.139
  234    HB2  HIS  33           1HB      HIS  33   7.963   4.499  -0.351
  235    HB3  HIS  33           2HB      HIS  33   9.589   3.886  -0.092
  236    HD1  HIS  33           1HD      HIS  33   9.737   2.332   2.375
  237    HD2  HIS  33           2HD      HIS  33   6.185   2.704   0.168
  238    HE1  HIS  33           1HE      HIS  33   8.337   0.305   2.975
  239    H    GLU  34           H        GLU  34   8.021   7.203  -0.138
  240    HA   GLU  34           HA       GLU  34  10.475   8.304  -1.235
  241    HB2  GLU  34           1HB      GLU  34   7.564   9.146  -1.248
  242    HB3  GLU  34           2HB      GLU  34   8.805  10.138  -2.000
  243    HG2  GLU  34           1HG      GLU  34   8.431   7.213  -2.745
  244    HG3  GLU  34           2HG      GLU  34   7.527   8.516  -3.505
  245    H    GLY  35           H        GLY  35   9.333   8.619   1.893
  246    HA2  GLY  35           1HA      GLY  35  10.128   9.872   3.633
  247    HA3  GLY  35           2HA      GLY  35  11.313  10.587   2.537
  248    H    VAL  36           H        VAL  36   7.846  10.908   1.935
  249    HA   VAL  36           HA       VAL  36   7.987  13.786   1.792
  250    HB   VAL  36           HB       VAL  36   5.577  11.941   1.839
  251   HG11  VAL  36          1HG1      VAL  36   5.811  14.831   0.902
  252   HG12  VAL  36          2HG1      VAL  36   4.408  13.773   0.639
  253   HG13  VAL  36          3HG1      VAL  36   4.851  14.236   2.279
  254   HG21  VAL  36          3HG2      VAL  36   7.112  13.134  -0.515
  255   HG22  VAL  36          1HG2      VAL  36   7.098  11.423  -0.049
  256   HG23  VAL  36          2HG2      VAL  36   5.616  12.180  -0.627
  257    H    LYS  37           H        LYS  37   7.346  15.348   3.169
  258    HA   LYS  37           HA       LYS  37   6.236  14.690   5.863
  259    HB2  LYS  37           1HB      LYS  37   8.520  16.600   5.216
  260    HB3  LYS  37           2HB      LYS  37   7.714  16.510   6.769
  261    HG2  LYS  37           1HG      LYS  37   9.347  14.289   5.466
  262    HG3  LYS  37           2HG      LYS  37   9.876  15.336   6.770
  263    HD2  LYS  37           1HD      LYS  37   7.642  13.270   6.947
  264    HD3  LYS  37           2HD      LYS  37   9.275  13.120   7.598
  265    HE2  LYS  37           1HE      LYS  37   8.861  15.094   9.071
  266    HE3  LYS  37           2HE      LYS  37   7.207  15.198   8.450
  267    HZ1  LYS  37           3HZ      LYS  37   8.327  12.875   9.928
  268    HZ2  LYS  37           1HZ      LYS  37   6.801  12.968   9.348
  269    HZ3  LYS  37           2HZ      LYS  37   7.286  13.972  10.540
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -0.998 -28.008  -0.452
    2    H2   GLY   1           2H       GLY   1  -1.517 -26.464  -0.627
    3    H3   GLY   1           3H       GLY   1   0.031 -26.763  -0.189
    4    HA2  GLY   1           1HA      GLY   1   0.501 -27.803  -2.311
    5    HA3  GLY   1           2HA      GLY   1  -1.171 -27.457  -2.787
    6    H    SER   2           H        SER   2  -0.616 -26.120  -4.523
    7    HA   SER   2           HA       SER   2   1.241 -23.957  -4.427
    8    HB2  SER   2           1HB      SER   2  -1.150 -24.342  -6.268
    9    HB3  SER   2           2HB      SER   2   0.236 -23.270  -6.549
   10    HG   SER   2           HG       SER   2   0.464 -25.290  -7.629
   11    H    SER   3           H        SER   3   0.909 -21.681  -4.485
   12    HA   SER   3           HA       SER   3  -1.047 -20.684  -2.593
   13    HB2  SER   3           1HB      SER   3   0.024 -18.481  -3.092
   14    HB3  SER   3           2HB      SER   3   1.131 -19.744  -2.534
   15    HG   SER   3           HG       SER   3   1.964 -18.585  -4.342
   16    H    GLY   4           H        GLY   4  -2.617 -19.096  -2.904
   17    HA2  GLY   4           1HA      GLY   4  -4.151 -19.278  -5.407
   18    HA3  GLY   4           2HA      GLY   4  -4.636 -18.493  -3.911
   19    H    SER   5           H        SER   5  -5.337 -17.162  -5.999
   20    HA   SER   5           HA       SER   5  -3.441 -15.193  -6.996
   21    HB2  SER   5           1HB      SER   5  -5.427 -15.863  -8.271
   22    HB3  SER   5           2HB      SER   5  -6.482 -15.218  -6.998
   23    HG   SER   5           HG       SER   5  -6.074 -13.788  -8.834
   24    H    SER   6           H        SER   6  -3.396 -12.953  -6.537
   25    HA   SER   6           HA       SER   6  -3.873 -12.113  -3.772
   26    HB2  SER   6           1HB      SER   6  -2.977  -9.944  -4.599
   27    HB3  SER   6           2HB      SER   6  -1.902 -11.318  -4.903
   28    HG   SER   6           HG       SER   6  -2.117  -9.961  -6.750
   29    H    GLY   7           H        GLY   7  -5.765 -12.135  -6.680
   30    HA2  GLY   7           1HA      GLY   7  -7.908 -11.406  -7.120
   31    HA3  GLY   7           2HA      GLY   7  -8.124 -11.313  -5.374
   32    H    ARG   8           H        ARG   8  -8.683  -9.379  -4.636
   33    HA   ARG   8           HA       ARG   8  -8.525  -6.980  -6.318
   34    HB2  ARG   8           1HB      ARG   8 -10.567  -7.773  -5.061
   35    HB3  ARG   8           2HB      ARG   8  -9.761  -7.328  -3.555
   36    HG2  ARG   8           1HG      ARG   8  -9.736  -4.971  -4.216
   37    HG3  ARG   8           2HG      ARG   8 -10.339  -5.371  -5.831
   38    HD2  ARG   8           1HD      ARG   8 -11.835  -5.864  -3.220
   39    HD3  ARG   8           2HD      ARG   8 -12.060  -4.440  -4.229
   40    HE   ARG   8           HE       ARG   8 -13.075  -7.147  -4.703
   41   HH11  ARG   8          2HH1      ARG   8 -12.453  -4.086  -6.303
   42   HH12  ARG   8          1HH1      ARG   8 -13.568  -4.438  -7.595
   43   HH21  ARG   8          2HH2      ARG   8 -14.467  -7.528  -6.384
   44   HH22  ARG   8          1HH2      ARG   8 -14.674  -6.336  -7.633
   45    H    ALA   9           H        ALA   9  -6.386  -8.252  -4.111
   46    HA   ALA   9           HA       ALA   9  -5.478  -5.759  -2.916
   47    HB1  ALA   9           1HB      ALA   9  -4.126  -8.455  -3.149
   48    HB2  ALA   9           2HB      ALA   9  -3.716  -7.155  -2.016
   49    HB3  ALA   9           3HB      ALA   9  -5.286  -8.004  -1.868
   50    H    MET  10           H        MET  10  -3.158  -5.213  -3.016
   51    HA   MET  10           HA       MET  10  -1.788  -5.655  -5.601
   52    HB2  MET  10           1HB      MET  10  -1.732  -3.498  -6.216
   53    HB3  MET  10           2HB      MET  10  -3.140  -3.338  -5.180
   54    HG2  MET  10           1HG      MET  10  -0.263  -2.614  -4.527
   55    HG3  MET  10           2HG      MET  10  -1.591  -1.518  -4.838
   56    HE1  MET  10           3HE      MET  10  -0.078  -2.255  -0.875
   57    HE2  MET  10           1HE      MET  10   0.397  -3.428  -2.088
   58    HE3  MET  10           2HE      MET  10   0.584  -1.693  -2.425
   59    H    LYS  11           H        LYS  11   0.577  -4.962  -5.393
   60    HA   LYS  11           HA       LYS  11   1.609  -5.358  -2.609
   61    HB2  LYS  11           1HB      LYS  11   2.074  -7.213  -4.280
   62    HB3  LYS  11           2HB      LYS  11   3.130  -6.072  -5.135
   63    HG2  LYS  11           1HG      LYS  11   4.504  -5.800  -3.094
   64    HG3  LYS  11           2HG      LYS  11   3.354  -6.791  -2.177
   65    HD2  LYS  11           1HD      LYS  11   3.862  -8.701  -3.764
   66    HD3  LYS  11           2HD      LYS  11   5.178  -7.719  -4.440
   67    HE2  LYS  11           1HE      LYS  11   6.315  -7.612  -2.333
   68    HE3  LYS  11           2HE      LYS  11   4.891  -8.183  -1.452
   69    HZ1  LYS  11           3HZ      LYS  11   5.162 -10.346  -2.440
   70    HZ2  LYS  11           1HZ      LYS  11   6.540  -9.899  -1.658
   71    HZ3  LYS  11           2HZ      LYS  11   6.478  -9.863  -3.302
   72    H    CYS  12           H        CYS  12   3.086  -3.947  -1.817
   73    HA   CYS  12           HA       CYS  12   3.063  -1.285  -2.702
   74    HB2  CYS  12           1HB      CYS  12   3.409  -1.949  -0.418
   75    HB3  CYS  12           2HB      CYS  12   4.869  -2.852  -0.843
   76    HA   PRO  13           HA       PRO  13   6.200  -1.389  -5.863
   77    HB2  PRO  13           1HB      PRO  13   6.559   1.331  -6.265
   78    HB3  PRO  13           2HB      PRO  13   5.204   0.351  -6.891
   79    HG2  PRO  13           1HG      PRO  13   5.246   2.173  -4.500
   80    HG3  PRO  13           2HG      PRO  13   3.924   1.872  -5.665
   81    HD2  PRO  13           1HD      PRO  13   4.038   0.736  -3.170
   82    HD3  PRO  13           2HD      PRO  13   3.200   0.010  -4.568
   83    H    TYR  14           H        TYR  14   6.851  -0.500  -2.672
   84    HA   TYR  14           HA       TYR  14   9.800  -0.242  -3.216
   85    HB2  TYR  14           1HB      TYR  14   8.100   1.104  -1.115
   86    HB3  TYR  14           2HB      TYR  14   9.855   1.137  -1.125
   87    HD1  TYR  14           1HD      TYR  14   6.806   2.264  -2.892
   88    HD2  TYR  14           2HD      TYR  14  11.092   2.587  -2.605
   89    HE1  TYR  14           1HE      TYR  14   6.781   4.215  -4.481
   90    HE2  TYR  14           2HE      TYR  14  11.055   4.569  -4.115
   91    HH   TYR  14           HH       TYR  14   9.769   5.922  -5.444
   92    H    CYS  15           H        CYS  15   7.351  -1.838  -1.206
   93    HA   CYS  15           HA       CYS  15   9.513  -3.520  -0.054
   94    HB2  CYS  15           1HB      CYS  15   8.808  -3.318   2.169
   95    HB3  CYS  15           2HB      CYS  15   9.006  -1.692   1.545
   96    H    ASP  16           H        ASP  16   8.345  -5.262   1.450
   97    HA   ASP  16           HA       ASP  16   7.095  -7.000  -0.507
   98    HB2  ASP  16           1HB      ASP  16   8.937  -7.635   1.069
   99    HB3  ASP  16           2HB      ASP  16   7.785  -7.530   2.400
  100    H    PHE  17           H        PHE  17   5.645  -4.735   1.452
  101    HA   PHE  17           HA       PHE  17   3.542  -6.382   2.587
  102    HB2  PHE  17           1HB      PHE  17   4.721  -4.312   3.578
  103    HB3  PHE  17           2HB      PHE  17   3.618  -3.365   2.587
  104    HD1  PHE  17           2HD      PHE  17   3.857  -5.904   5.319
  105    HD2  PHE  17           1HD      PHE  17   1.305  -3.086   3.289
  106    HE1  PHE  17           2HE      PHE  17   2.152  -6.156   7.110
  107    HE2  PHE  17           1HE      PHE  17  -0.394  -3.334   5.078
  108    HZ   PHE  17           HZ       PHE  17   0.024  -4.866   6.994
  109    H    TYR  18           H        TYR  18   1.303  -6.148   2.341
  110    HA   TYR  18           HA       TYR  18   0.342  -5.303  -0.361
  111    HB2  TYR  18           1HB      TYR  18  -0.605  -7.547   1.456
  112    HB3  TYR  18           2HB      TYR  18  -1.380  -7.069  -0.042
  113    HD1  TYR  18           1HD      TYR  18   1.851  -8.394   1.343
  114    HD2  TYR  18           2HD      TYR  18  -0.720  -8.014  -2.102
  115    HE1  TYR  18           1HE      TYR  18   3.316  -9.921   0.087
  116    HE2  TYR  18           2HE      TYR  18   0.722  -9.570  -3.359
  117    HH   TYR  18           HH       TYR  18   2.583 -10.960  -3.277
  118    H    PHE  19           H        PHE  19  -1.644  -4.339  -0.589
  119    HA   PHE  19           HA       PHE  19  -3.374  -3.865   1.758
  120    HB2  PHE  19           1HB      PHE  19  -2.382  -1.637  -0.060
  121    HB3  PHE  19           2HB      PHE  19  -3.829  -1.514   0.903
  122    HD1  PHE  19           2HD      PHE  19  -3.742  -1.502   3.395
  123    HD2  PHE  19           1HD      PHE  19  -0.174  -1.343   0.980
  124    HE1  PHE  19           2HE      PHE  19  -2.460  -0.614   5.326
  125    HE2  PHE  19           1HE      PHE  19   1.100  -0.477   2.901
  126    HZ   PHE  19           HZ       PHE  19  -0.038  -0.096   5.087
  127    H    MET  20           H        MET  20  -5.568  -3.166   1.068
  128    HA   MET  20           HA       MET  20  -6.384  -3.939  -1.667
  129    HB2  MET  20           1HB      MET  20  -6.318  -5.988  -0.194
  130    HB3  MET  20           2HB      MET  20  -7.550  -5.258   0.827
  131    HG2  MET  20           1HG      MET  20  -7.886  -5.764  -2.150
  132    HG3  MET  20           2HG      MET  20  -8.256  -6.979  -0.941
  133    HE1  MET  20           3HE      MET  20 -10.245  -6.945   0.716
  134    HE2  MET  20           1HE      MET  20  -9.769  -5.377   1.412
  135    HE3  MET  20           2HE      MET  20 -11.431  -5.629   0.844
  136    H    LYS  21           H        LYS  21  -8.087  -2.826  -2.342
  137    HA   LYS  21           HA       LYS  21  -9.372  -1.081  -2.723
  138    HB2  LYS  21           1HB      LYS  21 -11.456  -0.974  -1.634
  139    HB3  LYS  21           2HB      LYS  21 -10.964  -2.652  -1.795
  140    HG2  LYS  21           1HG      LYS  21 -10.367  -2.727   0.606
  141    HG3  LYS  21           2HG      LYS  21 -10.756  -1.004   0.772
  142    HD2  LYS  21           1HD      LYS  21 -13.108  -1.486   0.160
  143    HD3  LYS  21           2HD      LYS  21 -12.709  -3.209  -0.024
  144    HE2  LYS  21           1HE      LYS  21 -12.002  -3.298   2.356
  145    HE3  LYS  21           2HE      LYS  21 -12.382  -1.581   2.541
  146    HZ1  LYS  21           3HZ      LYS  21 -14.710  -2.109   2.046
  147    HZ2  LYS  21           1HZ      LYS  21 -14.206  -2.981   3.327
  148    HZ3  LYS  21           2HZ      LYS  21 -14.363  -3.697   1.871
  149    H    ASN  22           H        ASN  22  -7.912  -0.561   0.415
  150    HA   ASN  22           HA       ASN  22  -8.763   2.217   0.573
  151    HB2  ASN  22           1HB      ASN  22  -6.847   0.531   2.233
  152    HB3  ASN  22           2HB      ASN  22  -7.252   2.207   2.598
  153   HD21  ASN  22          1HD2      ASN  22  -9.583   2.744   3.000
  154   HD22  ASN  22          2HD2      ASN  22 -10.564   1.485   3.730
  155    H    GLY  23           H        GLY  23  -7.829   2.416  -1.788
  156    HA2  GLY  23           1HA      GLY  23  -5.088   2.812  -2.314
  157    HA3  GLY  23           2HA      GLY  23  -6.414   3.632  -3.143
  158    H    SER  24           H        SER  24  -7.427   5.120  -0.894
  159    HA   SER  24           HA       SER  24  -5.765   7.424  -0.822
  160    HB2  SER  24           1HB      SER  24  -7.975   6.628   1.113
  161    HB3  SER  24           2HB      SER  24  -7.349   8.263   0.836
  162    HG   SER  24           HG       SER  24  -9.276   7.866  -0.353
  163    H    ASP  25           H        ASP  25  -5.614   4.562   1.172
  164    HA   ASP  25           HA       ASP  25  -3.838   5.871   3.169
  165    HB2  ASP  25           1HB      ASP  25  -5.702   4.350   3.898
  166    HB3  ASP  25           2HB      ASP  25  -4.860   3.018   3.102
  167    H    LEU  26           H        LEU  26  -3.810   3.435   0.544
  168    HA   LEU  26           HA       LEU  26  -1.112   2.596   0.750
  169    HB2  LEU  26           1HB      LEU  26  -2.759   1.505  -0.707
  170    HB3  LEU  26           2HB      LEU  26  -2.898   2.965  -1.688
  171    HG   LEU  26           HG       LEU  26  -0.545   2.730  -2.426
  172   HD11  LEU  26          1HD1      LEU  26   0.654   0.603  -2.003
  173   HD12  LEU  26          2HD1      LEU  26  -0.626   0.128  -0.858
  174   HD13  LEU  26          3HD1      LEU  26   0.425   1.520  -0.518
  175   HD21  LEU  26          3HD2      LEU  26  -2.276   1.800  -3.821
  176   HD22  LEU  26          1HD2      LEU  26  -2.321   0.311  -2.860
  177   HD23  LEU  26          2HD2      LEU  26  -0.883   0.702  -3.831
  178    H    GLN  27           H        GLN  27  -2.468   5.488  -0.915
  179    HA   GLN  27           HA       GLN  27  -0.056   6.484  -2.023
  180    HB2  GLN  27           1HB      GLN  27  -2.491   7.908  -0.867
  181    HB3  GLN  27           2HB      GLN  27  -1.163   8.767  -1.640
  182    HG2  GLN  27           1HG      GLN  27  -2.873   6.651  -2.998
  183    HG3  GLN  27           2HG      GLN  27  -3.039   8.394  -3.179
  184   HE21  GLN  27          1HE2      GLN  27  -0.819   9.525  -3.884
  185   HE22  GLN  27          2HE2      GLN  27   0.024   8.660  -5.162
  186    H    ARG  28           H        ARG  28  -1.265   6.815   1.319
  187    HA   ARG  28           HA       ARG  28   0.858   8.572   2.235
  188    HB2  ARG  28           1HB      ARG  28  -0.598   6.659   4.072
  189    HB3  ARG  28           2HB      ARG  28   0.023   8.265   4.414
  190    HG2  ARG  28           1HG      ARG  28  -2.420   7.546   2.766
  191    HG3  ARG  28           2HG      ARG  28  -2.421   8.234   4.382
  192    HD2  ARG  28           1HD      ARG  28  -1.581  10.342   3.586
  193    HD3  ARG  28           2HD      ARG  28  -1.263   9.681   1.969
  194    HE   ARG  28           HE       ARG  28  -3.879   9.169   2.123
  195   HH11  ARG  28          2HH1      ARG  28  -2.245  12.192   2.859
  196   HH12  ARG  28          1HH1      ARG  28  -3.636  13.146   2.426
  197   HH21  ARG  28          2HH2      ARG  28  -5.600  10.437   1.624
  198   HH22  ARG  28          1HH2      ARG  28  -5.491  12.171   1.742
  199    H    HIS  29           H        HIS  29   0.437   5.036   2.352
  200    HA   HIS  29           HA       HIS  29   2.897   4.409   3.659
  201    HB2  HIS  29           1HB      HIS  29   1.022   2.842   3.409
  202    HB3  HIS  29           2HB      HIS  29   1.238   2.816   1.662
  203    HD1  HIS  29           1HD      HIS  29   2.920   1.505   4.856
  204    HD2  HIS  29           2HD      HIS  29   3.181   1.295   0.665
  205    HE1  HIS  29           1HE      HIS  29   4.559  -0.370   4.361
  206    H    ILE  30           H        ILE  30   2.193   4.923   0.183
  207    HA   ILE  30           HA       ILE  30   4.899   4.291  -0.669
  208    HB   ILE  30           HB       ILE  30   2.516   5.624  -2.000
  209   HG12  ILE  30          1HG1      ILE  30   3.915   2.955  -2.522
  210   HG13  ILE  30          2HG1      ILE  30   2.501   3.129  -1.482
  211   HG21  ILE  30          1HG2      ILE  30   4.460   6.650  -3.021
  212   HG22  ILE  30          2HG2      ILE  30   5.273   5.077  -3.145
  213   HG23  ILE  30          3HG2      ILE  30   3.851   5.449  -4.148
  214   HD11  ILE  30          3HD1      ILE  30   1.698   2.418  -3.607
  215   HD12  ILE  30          1HD1      ILE  30   1.255   4.139  -3.411
  216   HD13  ILE  30          2HD1      ILE  30   2.614   3.664  -4.464
  217    H    TRP  31           H        TRP  31   3.169   7.419  -0.329
  218    HA   TRP  31           HA       TRP  31   5.359   9.126  -0.807
  219    HB2  TRP  31           1HB      TRP  31   2.950   9.399   1.009
  220    HB3  TRP  31           2HB      TRP  31   4.097  10.700   0.765
  221    HD1  TRP  31           1HD      TRP  31   4.494  10.158  -2.428
  222    HE1  TRP  31           1HE      TRP  31   2.720  10.973  -4.027
  223    HE3  TRP  31           3HE      TRP  31   0.609  10.649   0.881
  224    HZ2  TRP  31           2HZ      TRP  31  -0.059  11.818  -3.920
  225    HZ3  TRP  31           3HZ      TRP  31  -1.603  11.481   0.091
  226    HH2  TRP  31           2HH      TRP  31  -1.947  12.062  -2.296
  227    H    ALA  32           H        ALA  32   4.709   7.210   2.082
  228    HA   ALA  32           HA       ALA  32   6.708   8.466   3.751
  229    HB1  ALA  32           1HB      ALA  32   5.447   5.691   3.873
  230    HB2  ALA  32           2HB      ALA  32   6.378   6.466   5.173
  231    HB3  ALA  32           3HB      ALA  32   4.826   7.161   4.662
  232    H    HIS  33           H        HIS  33   6.841   5.651   1.492
  233    HA   HIS  33           HA       HIS  33   9.631   5.032   2.011
  234    HB2  HIS  33           1HB      HIS  33   7.834   4.460  -0.378
  235    HB3  HIS  33           2HB      HIS  33   9.482   3.887  -0.213
  236    HD1  HIS  33           1HD      HIS  33   9.830   2.389   2.269
  237    HD2  HIS  33           2HD      HIS  33   6.153   2.608   0.250
  238    HE1  HIS  33           1HE      HIS  33   8.546   0.310   2.949
  239    H    GLU  34           H        GLU  34   7.965   7.235  -0.254
  240    HA   GLU  34           HA       GLU  34  10.413   8.221  -1.475
  241    HB2  GLU  34           1HB      GLU  34   7.593   9.356  -1.389
  242    HB3  GLU  34           2HB      GLU  34   8.927  10.045  -2.320
  243    HG2  GLU  34           1HG      GLU  34   9.190   7.828  -3.489
  244    HG3  GLU  34           2HG      GLU  34   7.698   7.290  -2.709
  245    H    GLY  35           H        GLY  35   9.405   8.628   1.693
  246    HA2  GLY  35           1HA      GLY  35  10.347   9.859   3.378
  247    HA3  GLY  35           2HA      GLY  35  11.440  10.602   2.208
  248    H    VAL  36           H        VAL  36   7.970  10.909   1.727
  249    HA   VAL  36           HA       VAL  36   8.085  13.806   1.790
  250    HB   VAL  36           HB       VAL  36   5.682  11.956   1.647
  251   HG11  VAL  36          1HG1      VAL  36   5.955  14.902   0.916
  252   HG12  VAL  36          2HG1      VAL  36   4.549  13.878   0.556
  253   HG13  VAL  36          3HG1      VAL  36   4.968  14.221   2.232
  254   HG21  VAL  36          3HG2      VAL  36   5.764  12.358  -0.796
  255   HG22  VAL  36          1HG2      VAL  36   7.266  13.291  -0.596
  256   HG23  VAL  36          2HG2      VAL  36   7.231  11.551  -0.244
  257    H    LYS  37           H        LYS  37   7.399  15.230   3.301
  258    HA   LYS  37           HA       LYS  37   5.898  14.440   5.680
  259    HB2  LYS  37           1HB      LYS  37   7.579  15.594   7.208
  260    HB3  LYS  37           2HB      LYS  37   7.908  13.967   6.681
  261    HG2  LYS  37           1HG      LYS  37   9.925  15.368   6.772
  262    HG3  LYS  37           2HG      LYS  37   9.651  14.623   5.209
  263    HD2  LYS  37           1HD      LYS  37  10.503  16.907   4.977
  264    HD3  LYS  37           2HD      LYS  37   8.917  16.725   4.254
  265    HE2  LYS  37           1HE      LYS  37   8.195  17.557   6.764
  266    HE3  LYS  37           2HE      LYS  37   9.786  18.317   6.653
  267    HZ1  LYS  37           3HZ      LYS  37   7.560  18.593   4.708
  268    HZ2  LYS  37           1HZ      LYS  37   9.012  19.355   4.555
  269    HZ3  LYS  37           2HZ      LYS  37   8.004  19.752   5.784
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1   0.272 -28.547   2.245
    2    H2   GLY   1           2H       GLY   1  -0.700 -29.779   2.718
    3    H3   GLY   1           3H       GLY   1  -1.259 -28.238   2.732
    4    HA2  GLY   1           1HA      GLY   1  -0.508 -29.758   0.321
    5    HA3  GLY   1           2HA      GLY   1  -2.169 -29.442   0.854
    6    H    SER   2           H        SER   2  -1.156 -28.704  -1.687
    7    HA   SER   2           HA       SER   2  -0.523 -25.856  -1.735
    8    HB2  SER   2           1HB      SER   2  -0.683 -26.149  -4.192
    9    HB3  SER   2           2HB      SER   2   0.432 -27.282  -3.411
   10    HG   SER   2           HG       SER   2  -0.935 -28.319  -4.948
   11    H    SER   3           H        SER   3  -1.782 -24.291  -2.967
   12    HA   SER   3           HA       SER   3  -4.686 -24.678  -3.210
   13    HB2  SER   3           1HB      SER   3  -4.214 -23.965  -0.812
   14    HB3  SER   3           2HB      SER   3  -3.614 -22.430  -1.467
   15    HG   SER   3           HG       SER   3  -5.861 -22.381  -0.879
   16    H    GLY   4           H        GLY   4  -5.719 -22.667  -4.133
   17    HA2  GLY   4           1HA      GLY   4  -4.346 -21.884  -6.553
   18    HA3  GLY   4           2HA      GLY   4  -5.920 -21.312  -6.009
   19    H    SER   5           H        SER   5  -3.861 -19.780  -7.304
   20    HA   SER   5           HA       SER   5  -2.601 -18.042  -5.309
   21    HB2  SER   5           1HB      SER   5  -1.589 -16.976  -7.302
   22    HB3  SER   5           2HB      SER   5  -1.323 -18.725  -7.224
   23    HG   SER   5           HG       SER   5  -1.969 -18.026  -9.325
   24    H    SER   6           H        SER   6  -5.675 -18.017  -6.684
   25    HA   SER   6           HA       SER   6  -6.109 -15.331  -7.394
   26    HB2  SER   6           1HB      SER   6  -8.108 -17.282  -6.194
   27    HB3  SER   6           2HB      SER   6  -8.487 -15.830  -7.139
   28    HG   SER   6           HG       SER   6  -8.520 -17.736  -8.427
   29    H    GLY   7           H        GLY   7  -6.953 -13.531  -6.383
   30    HA2  GLY   7           1HA      GLY   7  -7.951 -13.345  -3.728
   31    HA3  GLY   7           2HA      GLY   7  -6.232 -12.942  -3.704
   32    H    ARG   8           H        ARG   8  -7.794 -11.022  -2.881
   33    HA   ARG   8           HA       ARG   8  -8.312  -9.103  -5.125
   34    HB2  ARG   8           1HB      ARG   8  -9.464  -9.176  -2.310
   35    HB3  ARG   8           2HB      ARG   8  -9.868  -7.993  -3.560
   36    HG2  ARG   8           1HG      ARG   8 -10.740  -9.823  -5.009
   37    HG3  ARG   8           2HG      ARG   8 -10.451 -10.983  -3.704
   38    HD2  ARG   8           1HD      ARG   8 -12.301  -8.562  -3.554
   39    HD3  ARG   8           2HD      ARG   8 -12.804 -10.223  -3.820
   40    HE   ARG   8           HE       ARG   8 -12.171 -10.829  -1.593
   41   HH11  ARG   8          2HH1      ARG   8 -12.024  -7.349  -2.038
   42   HH12  ARG   8          1HH1      ARG   8 -12.061  -7.048  -0.322
   43   HH21  ARG   8          2HH2      ARG   8 -12.209 -10.360   0.567
   44   HH22  ARG   8          1HH2      ARG   8 -12.155  -8.708   1.103
   45    H    ALA   9           H        ALA   9  -5.799  -9.640  -3.251
   46    HA   ALA   9           HA       ALA   9  -5.439  -7.105  -1.914
   47    HB1  ALA   9           1HB      ALA   9  -3.500  -9.386  -2.431
   48    HB2  ALA   9           2HB      ALA   9  -3.286  -8.066  -1.256
   49    HB3  ALA   9           3HB      ALA   9  -4.600  -9.243  -1.036
   50    H    MET  10           H        MET  10  -3.651  -5.778  -2.065
   51    HA   MET  10           HA       MET  10  -2.641  -5.090  -4.792
   52    HB2  MET  10           1HB      MET  10  -4.321  -3.609  -3.503
   53    HB3  MET  10           2HB      MET  10  -3.048  -3.318  -2.334
   54    HG2  MET  10           1HG      MET  10  -3.053  -2.623  -5.280
   55    HG3  MET  10           2HG      MET  10  -3.340  -1.521  -3.943
   56    HE1  MET  10           3HE      MET  10   0.320  -1.363  -2.328
   57    HE2  MET  10           1HE      MET  10  -1.389  -1.583  -1.886
   58    HE3  MET  10           2HE      MET  10  -0.329  -2.984  -2.174
   59    H    LYS  11           H        LYS  11  -0.362  -4.837  -4.961
   60    HA   LYS  11           HA       LYS  11   1.298  -5.314  -2.507
   61    HB2  LYS  11           1HB      LYS  11   1.362  -7.031  -4.397
   62    HB3  LYS  11           2HB      LYS  11   2.151  -5.798  -5.380
   63    HG2  LYS  11           1HG      LYS  11   3.975  -5.615  -3.678
   64    HG3  LYS  11           2HG      LYS  11   3.155  -6.834  -2.687
   65    HD2  LYS  11           1HD      LYS  11   3.383  -8.461  -4.619
   66    HD3  LYS  11           2HD      LYS  11   4.269  -7.214  -5.504
   67    HE2  LYS  11           1HE      LYS  11   5.893  -8.678  -4.551
   68    HE3  LYS  11           2HE      LYS  11   5.969  -7.159  -3.650
   69    HZ1  LYS  11           3HZ      LYS  11   5.980  -9.154  -2.200
   70    HZ2  LYS  11           1HZ      LYS  11   4.490  -9.579  -2.745
   71    HZ3  LYS  11           2HZ      LYS  11   4.700  -8.212  -1.867
   72    H    CYS  12           H        CYS  12   2.671  -3.794  -1.846
   73    HA   CYS  12           HA       CYS  12   2.549  -1.141  -2.660
   74    HB2  CYS  12           1HB      CYS  12   3.236  -1.887  -0.479
   75    HB3  CYS  12           2HB      CYS  12   4.618  -2.761  -1.144
   76    HA   PRO  13           HA       PRO  13   5.233  -1.026  -6.201
   77    HB2  PRO  13           1HB      PRO  13   5.474   1.692  -6.580
   78    HB3  PRO  13           2HB      PRO  13   4.030   0.717  -6.975
   79    HG2  PRO  13           1HG      PRO  13   4.493   2.493  -4.598
   80    HG3  PRO  13           2HG      PRO  13   2.983   2.187  -5.505
   81    HD2  PRO  13           1HD      PRO  13   3.640   1.008  -3.087
   82    HD3  PRO  13           2HD      PRO  13   2.472   0.347  -4.272
   83    H    TYR  14           H        TYR  14   6.333  -0.231  -3.112
   84    HA   TYR  14           HA       TYR  14   9.168   0.116  -4.070
   85    HB2  TYR  14           1HB      TYR  14   7.763   1.286  -1.669
   86    HB3  TYR  14           2HB      TYR  14   9.504   1.314  -1.878
   87    HD1  TYR  14           1HD      TYR  14   6.296   2.537  -3.263
   88    HD2  TYR  14           2HD      TYR  14  10.582   2.934  -3.275
   89    HE1  TYR  14           1HE      TYR  14   6.109   4.638  -4.635
   90    HE2  TYR  14           2HE      TYR  14  10.392   5.062  -4.557
   91    HH   TYR  14           HH       TYR  14   8.983   6.524  -5.619
   92    H    CYS  15           H        CYS  15   7.056  -1.617  -1.803
   93    HA   CYS  15           HA       CYS  15   9.361  -3.356  -1.098
   94    HB2  CYS  15           1HB      CYS  15   9.004  -3.288   1.207
   95    HB3  CYS  15           2HB      CYS  15   9.073  -1.622   0.666
   96    H    ASP  16           H        ASP  16   8.400  -5.179   0.465
   97    HA   ASP  16           HA       ASP  16   6.938  -6.842  -1.404
   98    HB2  ASP  16           1HB      ASP  16   8.906  -7.549  -0.034
   99    HB3  ASP  16           2HB      ASP  16   7.921  -7.403   1.422
  100    H    PHE  17           H        PHE  17   5.880  -4.824   1.174
  101    HA   PHE  17           HA       PHE  17   3.925  -6.512   2.357
  102    HB2  PHE  17           1HB      PHE  17   5.133  -4.598   3.408
  103    HB3  PHE  17           2HB      PHE  17   4.151  -3.492   2.456
  104    HD1  PHE  17           1HD      PHE  17   3.742  -6.412   4.825
  105    HD2  PHE  17           2HD      PHE  17   2.260  -2.581   3.511
  106    HE1  PHE  17           1HE      PHE  17   2.026  -6.454   6.622
  107    HE2  PHE  17           2HE      PHE  17   0.549  -2.625   5.306
  108    HZ   PHE  17           HZ       PHE  17   0.428  -4.561   6.866
  109    H    TYR  18           H        TYR  18   1.708  -6.447   2.454
  110    HA   TYR  18           HA       TYR  18   0.337  -5.634  -0.037
  111    HB2  TYR  18           1HB      TYR  18  -0.327  -7.756   2.031
  112    HB3  TYR  18           2HB      TYR  18  -1.307  -7.391   0.614
  113    HD1  TYR  18           2HD      TYR  18  -0.188  -7.480  -1.694
  114    HD2  TYR  18           1HD      TYR  18   1.474  -9.331   1.825
  115    HE1  TYR  18           2HE      TYR  18   1.267  -8.827  -3.122
  116    HE2  TYR  18           1HE      TYR  18   2.905 -10.756   0.394
  117    HH   TYR  18           HH       TYR  18   3.398 -11.419  -1.758
  118    H    PHE  19           H        PHE  19  -1.725  -4.864  -0.109
  119    HA   PHE  19           HA       PHE  19  -3.084  -3.978   2.393
  120    HB2  PHE  19           1HB      PHE  19  -2.579  -2.294  -0.091
  121    HB3  PHE  19           2HB      PHE  19  -3.850  -1.936   1.055
  122    HD1  PHE  19           1HD      PHE  19  -0.147  -2.150   0.669
  123    HD2  PHE  19           2HD      PHE  19  -3.439  -0.855   3.145
  124    HE1  PHE  19           1HE      PHE  19   1.424  -0.877   2.104
  125    HE2  PHE  19           2HE      PHE  19  -1.861   0.411   4.580
  126    HZ   PHE  19           HZ       PHE  19   0.574   0.368   4.084
  127    H    MET  20           H        MET  20  -5.334  -4.011   2.310
  128    HA   MET  20           HA       MET  20  -6.648  -5.478   0.104
  129    HB2  MET  20           1HB      MET  20  -7.244  -5.824   2.501
  130    HB3  MET  20           2HB      MET  20  -7.782  -4.141   2.592
  131    HG2  MET  20           1HG      MET  20  -9.493  -4.637   0.822
  132    HG3  MET  20           2HG      MET  20  -8.931  -6.310   0.790
  133    HE1  MET  20           3HE      MET  20 -10.908  -3.525   2.649
  134    HE2  MET  20           1HE      MET  20 -11.333  -4.275   4.202
  135    HE3  MET  20           2HE      MET  20  -9.654  -3.804   3.879
  136    H    LYS  21           H        LYS  21  -6.224  -2.188   1.225
  137    HA   LYS  21           HA       LYS  21  -8.198  -0.980  -0.602
  138    HB2  LYS  21           1HB      LYS  21  -6.330   0.120   1.540
  139    HB3  LYS  21           2HB      LYS  21  -7.338   1.146   0.522
  140    HG2  LYS  21           1HG      LYS  21  -9.379   0.056   1.337
  141    HG3  LYS  21           2HG      LYS  21  -8.421  -1.019   2.381
  142    HD2  LYS  21           1HD      LYS  21  -7.571   0.862   3.657
  143    HD3  LYS  21           2HD      LYS  21  -8.291   2.019   2.517
  144    HE2  LYS  21           1HE      LYS  21 -10.546   1.288   3.140
  145    HE3  LYS  21           2HE      LYS  21  -9.877   0.115   4.287
  146    HZ1  LYS  21           3HZ      LYS  21  -8.985   1.916   5.581
  147    HZ2  LYS  21           1HZ      LYS  21 -10.540   2.314   5.284
  148    HZ3  LYS  21           2HZ      LYS  21  -9.321   3.038   4.447
  149    H    ASN  22           H        ASN  22  -7.650   0.876  -1.821
  150    HA   ASN  22           HA       ASN  22  -4.905   1.207  -2.848
  151    HB2  ASN  22           1HB      ASN  22  -6.232  -0.330  -4.395
  152    HB3  ASN  22           2HB      ASN  22  -7.351   1.005  -4.667
  153   HD21  ASN  22          1HD2      ASN  22  -6.559   0.337  -6.954
  154   HD22  ASN  22          2HD2      ASN  22  -5.149   1.215  -7.531
  155    H    GLY  23           H        GLY  23  -4.851   3.397  -4.103
  156    HA2  GLY  23           1HA      GLY  23  -5.324   5.675  -4.238
  157    HA3  GLY  23           2HA      GLY  23  -6.888   5.383  -3.488
  158    H    SER  24           H        SER  24  -6.920   6.975  -1.958
  159    HA   SER  24           HA       SER  24  -4.865   8.298  -0.807
  160    HB2  SER  24           1HB      SER  24  -7.533   7.790   0.552
  161    HB3  SER  24           2HB      SER  24  -6.448   9.170   0.814
  162    HG   SER  24           HG       SER  24  -8.148   9.668  -0.655
  163    H    ASP  25           H        ASP  25  -6.341   5.406   0.806
  164    HA   ASP  25           HA       ASP  25  -4.693   5.791   3.185
  165    HB2  ASP  25           1HB      ASP  25  -6.500   3.551   2.245
  166    HB3  ASP  25           2HB      ASP  25  -5.528   3.414   3.707
  167    H    LEU  26           H        LEU  26  -4.249   3.968   0.216
  168    HA   LEU  26           HA       LEU  26  -1.831   2.567   1.133
  169    HB2  LEU  26           1HB      LEU  26  -3.120   1.559  -0.619
  170    HB3  LEU  26           2HB      LEU  26  -3.176   3.057  -1.546
  171    HG   LEU  26           HG       LEU  26  -0.766   2.918  -2.002
  172   HD11  LEU  26          1HD1      LEU  26   0.028   1.636  -0.046
  173   HD12  LEU  26          2HD1      LEU  26   0.473   0.829  -1.546
  174   HD13  LEU  26          3HD1      LEU  26  -0.905   0.230  -0.581
  175   HD21  LEU  26          3HD2      LEU  26  -2.360   0.438  -2.718
  176   HD22  LEU  26          1HD2      LEU  26  -0.891   1.008  -3.550
  177   HD23  LEU  26          2HD2      LEU  26  -2.358   1.993  -3.579
  178    H    GLN  27           H        GLN  27  -2.635   5.620  -0.533
  179    HA   GLN  27           HA       GLN  27  -0.050   6.343  -1.318
  180    HB2  GLN  27           1HB      GLN  27  -2.336   7.368  -1.896
  181    HB3  GLN  27           2HB      GLN  27  -2.142   8.356  -0.436
  182    HG2  GLN  27           1HG      GLN  27  -0.038   9.279  -1.356
  183    HG3  GLN  27           2HG      GLN  27  -0.148   8.197  -2.742
  184   HE21  GLN  27          1HE2      GLN  27   0.068  10.378  -3.896
  185   HE22  GLN  27          2HE2      GLN  27  -1.440  11.214  -4.231
  186    H    ARG  28           H        ARG  28  -1.495   6.629   1.894
  187    HA   ARG  28           HA       ARG  28   0.435   8.236   3.245
  188    HB2  ARG  28           1HB      ARG  28  -0.901   5.754   4.403
  189    HB3  ARG  28           2HB      ARG  28  -0.287   7.158   5.277
  190    HG2  ARG  28           1HG      ARG  28  -2.072   8.555   4.170
  191    HG3  ARG  28           2HG      ARG  28  -2.691   7.072   3.425
  192    HD2  ARG  28           1HD      ARG  28  -2.880   6.089   5.766
  193    HD3  ARG  28           2HD      ARG  28  -2.611   7.715   6.392
  194    HE   ARG  28           HE       ARG  28  -5.036   6.629   5.137
  195   HH11  ARG  28          2HH1      ARG  28  -3.498   9.714   5.845
  196   HH12  ARG  28          1HH1      ARG  28  -5.008  10.564   5.655
  197   HH21  ARG  28          2HH2      ARG  28  -6.773   7.678   4.899
  198   HH22  ARG  28          1HH2      ARG  28  -6.881   9.425   5.139
  199    H    HIS  29           H        HIS  29   0.481   4.755   2.589
  200    HA   HIS  29           HA       HIS  29   3.036   4.257   3.903
  201    HB2  HIS  29           1HB      HIS  29   1.283   2.578   3.811
  202    HB3  HIS  29           2HB      HIS  29   1.274   2.605   2.049
  203    HD1  HIS  29           1HD      HIS  29   3.338   1.209   4.955
  204    HD2  HIS  29           2HD      HIS  29   3.184   1.278   0.754
  205    HE1  HIS  29           1HE      HIS  29   4.958  -0.583   4.178
  206    H    ILE  30           H        ILE  30   2.019   4.920   0.554
  207    HA   ILE  30           HA       ILE  30   4.623   4.369  -0.606
  208    HB   ILE  30           HB       ILE  30   2.175   5.882  -1.574
  209   HG12  ILE  30          1HG1      ILE  30   3.413   3.217  -2.422
  210   HG13  ILE  30          2HG1      ILE  30   2.072   3.364  -1.285
  211   HG21  ILE  30          1HG2      ILE  30   3.293   5.884  -3.832
  212   HG22  ILE  30          2HG2      ILE  30   4.085   6.921  -2.654
  213   HG23  ILE  30          3HG2      ILE  30   4.777   5.322  -3.025
  214   HD11  ILE  30          3HD1      ILE  30   2.022   4.152  -4.213
  215   HD12  ILE  30          1HD1      ILE  30   1.143   2.843  -3.420
  216   HD13  ILE  30          2HD1      ILE  30   0.747   4.548  -3.032
  217    H    TRP  31           H        TRP  31   2.994   7.428   0.258
  218    HA   TRP  31           HA       TRP  31   5.095   9.245  -0.188
  219    HB2  TRP  31           1HB      TRP  31   2.881   9.093   1.850
  220    HB3  TRP  31           2HB      TRP  31   4.047  10.396   1.927
  221    HD1  TRP  31           1HD      TRP  31   4.245  10.831  -1.305
  222    HE1  TRP  31           1HE      TRP  31   2.409  12.157  -2.429
  223    HE3  TRP  31           3HE      TRP  31   0.572  10.268   2.230
  224    HZ2  TRP  31           2HZ      TRP  31  -0.326  12.961  -1.863
  225    HZ3  TRP  31           3HZ      TRP  31  -1.656  11.317   1.894
  226    HH2  TRP  31           2HH      TRP  31  -2.114  12.667  -0.142
  227    H    ALA  32           H        ALA  32   4.839   6.877   2.419
  228    HA   ALA  32           HA       ALA  32   6.963   7.982   4.056
  229    HB1  ALA  32           1HB      ALA  32   5.153   6.492   4.903
  230    HB2  ALA  32           2HB      ALA  32   5.845   5.151   3.965
  231    HB3  ALA  32           3HB      ALA  32   6.779   5.882   5.280
  232    H    HIS  33           H        HIS  33   6.895   5.554   1.409
  233    HA   HIS  33           HA       HIS  33   9.748   4.954   1.548
  234    HB2  HIS  33           1HB      HIS  33   7.689   4.554  -0.658
  235    HB3  HIS  33           2HB      HIS  33   9.354   3.997  -0.717
  236    HD1  HIS  33           1HD      HIS  33   9.990   2.280   1.524
  237    HD2  HIS  33           2HD      HIS  33   6.060   2.689   0.099
  238    HE1  HIS  33           1HE      HIS  33   8.776   0.177   2.250
  239    H    GLU  34           H        GLU  34   7.749   7.313  -0.244
  240    HA   GLU  34           HA       GLU  34   9.986   8.524  -1.646
  241    HB2  GLU  34           1HB      GLU  34   7.213   9.591  -0.994
  242    HB3  GLU  34           2HB      GLU  34   8.389  10.397  -2.035
  243    HG2  GLU  34           1HG      GLU  34   8.444   8.347  -3.490
  244    HG3  GLU  34           2HG      GLU  34   7.100   7.690  -2.551
  245    H    GLY  35           H        GLY  35   9.422   8.491   1.658
  246    HA2  GLY  35           1HA      GLY  35  10.664   9.461   3.320
  247    HA3  GLY  35           2HA      GLY  35  11.512  10.437   2.120
  248    H    VAL  36           H        VAL  36   8.015  10.694   2.225
  249    HA   VAL  36           HA       VAL  36   8.113  13.521   2.891
  250    HB   VAL  36           HB       VAL  36   5.720  11.662   2.713
  251   HG11  VAL  36          1HG1      VAL  36   5.891  14.704   2.585
  252   HG12  VAL  36          2HG1      VAL  36   4.438  13.738   2.247
  253   HG13  VAL  36          3HG1      VAL  36   5.122  13.740   3.870
  254   HG21  VAL  36          3HG2      VAL  36   6.959  13.479   0.595
  255   HG22  VAL  36          1HG2      VAL  36   6.942  11.705   0.561
  256   HG23  VAL  36          2HG2      VAL  36   5.428  12.595   0.427
  257    H    LYS  37           H        LYS  37   7.722  14.534   4.780
  258    HA   LYS  37           HA       LYS  37   6.833  13.082   7.214
  259    HB2  LYS  37           1HB      LYS  37   9.377  14.730   6.922
  260    HB3  LYS  37           2HB      LYS  37   8.679  14.334   8.480
  261    HG2  LYS  37           1HG      LYS  37   9.459  12.105   6.557
  262    HG3  LYS  37           2HG      LYS  37  10.662  12.948   7.505
  263    HD2  LYS  37           1HD      LYS  37  10.059  10.932   8.660
  264    HD3  LYS  37           2HD      LYS  37   9.590  12.339   9.597
  265    HE2  LYS  37           1HE      LYS  37   7.877  10.691   9.815
  266    HE3  LYS  37           2HE      LYS  37   7.223  12.034   8.883
  267    HZ1  LYS  37           3HZ      LYS  37   6.663   9.852   7.925
  268    HZ2  LYS  37           1HZ      LYS  37   8.240   9.489   7.716
  269    HZ3  LYS  37           2HZ      LYS  37   7.552  10.709   6.860
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  -3.652 -30.463   1.833
    2    H2   GLY   1           2H       GLY   1  -4.504 -31.752   1.286
    3    H3   GLY   1           3H       GLY   1  -5.280 -30.497   2.000
    4    HA2  GLY   1           1HA      GLY   1  -3.830 -30.374  -0.565
    5    HA3  GLY   1           2HA      GLY   1  -5.594 -30.419  -0.388
    6    H    SER   2           H        SER   2  -4.554 -28.384  -1.813
    7    HA   SER   2           HA       SER   2  -3.862 -26.020  -0.365
    8    HB2  SER   2           1HB      SER   2  -5.103 -26.283  -3.129
    9    HB3  SER   2           2HB      SER   2  -4.270 -24.856  -2.479
   10    HG   SER   2           HG       SER   2  -2.887 -26.163  -3.780
   11    H    SER   3           H        SER   3  -5.023 -24.137   0.106
   12    HA   SER   3           HA       SER   3  -7.657 -24.465   1.135
   13    HB2  SER   3           1HB      SER   3  -6.142 -21.891   0.568
   14    HB3  SER   3           2HB      SER   3  -7.546 -22.074   1.637
   15    HG   SER   3           HG       SER   3  -5.552 -22.130   2.792
   16    H    GLY   4           H        GLY   4  -9.658 -23.777   0.487
   17    HA2  GLY   4           1HA      GLY   4 -10.148 -23.422  -2.371
   18    HA3  GLY   4           2HA      GLY   4 -11.344 -23.572  -1.085
   19    H    SER   5           H        SER   5  -9.398 -21.120  -0.034
   20    HA   SER   5           HA       SER   5 -11.365 -19.116  -0.392
   21    HB2  SER   5           1HB      SER   5  -8.457 -18.759   0.416
   22    HB3  SER   5           2HB      SER   5  -9.794 -17.638   0.733
   23    HG   SER   5           HG       SER   5  -9.359 -18.971   2.547
   24    H    SER   6           H        SER   6 -11.417 -17.185  -1.498
   25    HA   SER   6           HA       SER   6  -9.454 -16.641  -3.676
   26    HB2  SER   6           1HB      SER   6 -12.481 -16.710  -3.993
   27    HB3  SER   6           2HB      SER   6 -11.343 -16.072  -5.192
   28    HG   SER   6           HG       SER   6 -11.950 -18.256  -5.611
   29    H    GLY   7           H        GLY   7  -9.312 -14.468  -4.327
   30    HA2  GLY   7           1HA      GLY   7 -10.922 -12.298  -3.491
   31    HA3  GLY   7           2HA      GLY   7  -9.621 -12.479  -2.310
   32    H    ARG   8           H        ARG   8  -9.363 -10.203  -3.284
   33    HA   ARG   8           HA       ARG   8  -7.081 -10.278  -5.177
   34    HB2  ARG   8           1HB      ARG   8  -9.507  -8.448  -5.498
   35    HB3  ARG   8           2HB      ARG   8  -7.977  -8.206  -6.330
   36    HG2  ARG   8           1HG      ARG   8  -9.793 -10.627  -6.689
   37    HG3  ARG   8           2HG      ARG   8  -9.681  -9.239  -7.768
   38    HD2  ARG   8           1HD      ARG   8  -7.300  -9.731  -8.209
   39    HD3  ARG   8           2HD      ARG   8  -7.373 -11.144  -7.162
   40    HE   ARG   8           HE       ARG   8  -8.498 -10.846  -9.865
   41   HH11  ARG   8          2HH1      ARG   8  -8.509 -12.902  -7.004
   42   HH12  ARG   8          1HH1      ARG   8  -9.035 -14.291  -7.925
   43   HH21  ARG   8          2HH2      ARG   8  -9.194 -12.651 -10.936
   44   HH22  ARG   8          1HH2      ARG   8  -9.433 -14.143 -10.074
   45    H    ALA   9           H        ALA   9  -5.574  -8.723  -4.878
   46    HA   ALA   9           HA       ALA   9  -5.938  -6.474  -3.048
   47    HB1  ALA   9           1HB      ALA   9  -5.369  -8.313  -1.472
   48    HB2  ALA   9           2HB      ALA   9  -3.903  -8.666  -2.427
   49    HB3  ALA   9           3HB      ALA   9  -4.065  -7.116  -1.583
   50    H    MET  10           H        MET  10  -3.715  -5.355  -2.785
   51    HA   MET  10           HA       MET  10  -2.145  -5.416  -5.325
   52    HB2  MET  10           1HB      MET  10  -2.184  -3.136  -5.470
   53    HB3  MET  10           2HB      MET  10  -3.773  -3.450  -4.774
   54    HG2  MET  10           1HG      MET  10  -3.065  -1.685  -3.494
   55    HG3  MET  10           2HG      MET  10  -2.599  -3.032  -2.471
   56    HE1  MET  10           3HE      MET  10  -0.913  -1.930  -1.020
   57    HE2  MET  10           1HE      MET  10  -0.033  -3.358  -1.604
   58    HE3  MET  10           2HE      MET  10   0.778  -1.787  -1.503
   59    H    LYS  11           H        LYS  11   0.113  -4.851  -5.101
   60    HA   LYS  11           HA       LYS  11   1.257  -5.205  -2.359
   61    HB2  LYS  11           1HB      LYS  11   1.625  -7.150  -3.952
   62    HB3  LYS  11           2HB      LYS  11   2.640  -6.068  -4.921
   63    HG2  LYS  11           1HG      LYS  11   4.105  -5.680  -2.946
   64    HG3  LYS  11           2HG      LYS  11   3.020  -6.671  -1.953
   65    HD2  LYS  11           1HD      LYS  11   3.523  -8.609  -3.515
   66    HD3  LYS  11           2HD      LYS  11   4.780  -7.604  -4.265
   67    HE2  LYS  11           1HE      LYS  11   5.990  -7.398  -2.207
   68    HE3  LYS  11           2HE      LYS  11   4.622  -7.985  -1.254
   69    HZ1  LYS  11           3HZ      LYS  11   6.299  -9.662  -1.454
   70    HZ2  LYS  11           1HZ      LYS  11   6.206  -9.675  -3.098
   71    HZ3  LYS  11           2HZ      LYS  11   4.922 -10.169  -2.190
   72    H    CYS  12           H        CYS  12   2.775  -3.811  -1.688
   73    HA   CYS  12           HA       CYS  12   2.743  -1.194  -2.604
   74    HB2  CYS  12           1HB      CYS  12   3.277  -1.881  -0.351
   75    HB3  CYS  12           2HB      CYS  12   4.723  -2.736  -0.898
   76    HA   PRO  13           HA       PRO  13   5.623  -1.230  -5.998
   77    HB2  PRO  13           1HB      PRO  13   5.973   1.503  -6.336
   78    HB3  PRO  13           2HB      PRO  13   4.569   0.551  -6.898
   79    HG2  PRO  13           1HG      PRO  13   4.798   2.268  -4.433
   80    HG3  PRO  13           2HG      PRO  13   3.401   2.053  -5.528
   81    HD2  PRO  13           1HD      PRO  13   3.601   0.800  -3.119
   82    HD3  PRO  13           2HD      PRO  13   2.732   0.113  -4.520
   83    H    TYR  14           H        TYR  14   6.500  -0.422  -2.835
   84    HA   TYR  14           HA       TYR  14   9.407  -0.206  -3.577
   85    HB2  TYR  14           1HB      TYR  14   7.893   1.143  -1.341
   86    HB3  TYR  14           2HB      TYR  14   9.639   1.170  -1.509
   87    HD1  TYR  14           1HD      TYR  14   6.447   2.410  -2.887
   88    HD2  TYR  14           2HD      TYR  14  10.747   2.537  -3.189
   89    HE1  TYR  14           1HE      TYR  14   6.292   4.383  -4.425
   90    HE2  TYR  14           2HE      TYR  14  10.585   4.533  -4.682
   91    HH   TYR  14           HH       TYR  14   7.434   5.875  -5.725
   92    H    CYS  15           H        CYS  15   7.070  -1.740  -1.371
   93    HA   CYS  15           HA       CYS  15   9.284  -3.443  -0.341
   94    HB2  CYS  15           1HB      CYS  15   8.790  -3.112   1.916
   95    HB3  CYS  15           2HB      CYS  15   8.917  -1.516   1.201
   96    H    ASP  16           H        ASP  16   8.066  -4.986   1.447
   97    HA   ASP  16           HA       ASP  16   6.772  -6.867  -0.361
   98    HB2  ASP  16           1HB      ASP  16   8.694  -7.395   1.170
   99    HB3  ASP  16           2HB      ASP  16   7.584  -7.246   2.533
  100    H    PHE  17           H        PHE  17   5.423  -4.513   1.618
  101    HA   PHE  17           HA       PHE  17   3.302  -6.103   2.816
  102    HB2  PHE  17           1HB      PHE  17   3.924  -3.150   2.747
  103    HB3  PHE  17           2HB      PHE  17   2.411  -3.751   3.394
  104    HD1  PHE  17           1HD      PHE  17   6.121  -3.911   3.863
  105    HD2  PHE  17           2HD      PHE  17   2.245  -4.804   5.533
  106    HE1  PHE  17           1HE      PHE  17   7.179  -4.417   6.049
  107    HE2  PHE  17           2HE      PHE  17   3.309  -5.312   7.718
  108    HZ   PHE  17           HZ       PHE  17   5.775  -5.119   7.981
  109    H    TYR  18           H        TYR  18   1.132  -6.030   2.519
  110    HA   TYR  18           HA       TYR  18   0.131  -5.291  -0.189
  111    HB2  TYR  18           1HB      TYR  18  -0.757  -7.477   1.726
  112    HB3  TYR  18           2HB      TYR  18  -1.551  -7.084   0.211
  113    HD1  TYR  18           1HD      TYR  18   1.607  -8.408   1.695
  114    HD2  TYR  18           2HD      TYR  18  -0.730  -7.870  -1.890
  115    HE1  TYR  18           1HE      TYR  18   3.123  -9.934   0.480
  116    HE2  TYR  18           2HE      TYR  18   0.770  -9.403  -3.108
  117    HH   TYR  18           HH       TYR  18   2.545 -10.888  -2.939
  118    H    PHE  19           H        PHE  19  -1.931  -4.498  -0.442
  119    HA   PHE  19           HA       PHE  19  -3.600  -3.828   1.925
  120    HB2  PHE  19           1HB      PHE  19  -2.879  -1.838  -0.267
  121    HB3  PHE  19           2HB      PHE  19  -4.257  -1.678   0.770
  122    HD1  PHE  19           1HD      PHE  19  -0.493  -2.099   1.151
  123    HD2  PHE  19           2HD      PHE  19  -4.131  -0.275   2.590
  124    HE1  PHE  19           1HE      PHE  19   0.819  -0.737   2.739
  125    HE2  PHE  19           2HE      PHE  19  -2.804   1.085   4.181
  126    HZ   PHE  19           HZ       PHE  19  -0.332   0.867   4.255
  127    H    MET  20           H        MET  20  -5.856  -3.909   1.453
  128    HA   MET  20           HA       MET  20  -6.588  -5.179  -1.123
  129    HB2  MET  20           1HB      MET  20  -7.599  -6.007   0.989
  130    HB3  MET  20           2HB      MET  20  -8.394  -4.426   1.189
  131    HG2  MET  20           1HG      MET  20  -9.528  -4.723  -0.979
  132    HG3  MET  20           2HG      MET  20  -8.710  -6.270  -1.211
  133    HE1  MET  20           3HE      MET  20 -12.459  -7.203  -0.860
  134    HE2  MET  20           1HE      MET  20 -11.758  -5.749  -1.610
  135    HE3  MET  20           2HE      MET  20 -10.984  -7.330  -1.846
  136    H    LYS  21           H        LYS  21  -7.241  -4.069  -2.801
  137    HA   LYS  21           HA       LYS  21  -7.646  -2.392  -4.231
  138    HB2  LYS  21           1HB      LYS  21  -9.441  -1.326  -2.026
  139    HB3  LYS  21           2HB      LYS  21  -9.449  -0.759  -3.693
  140    HG2  LYS  21           1HG      LYS  21 -10.019  -3.023  -4.503
  141    HG3  LYS  21           2HG      LYS  21 -10.094  -3.612  -2.842
  142    HD2  LYS  21           1HD      LYS  21 -11.853  -1.411  -4.006
  143    HD3  LYS  21           2HD      LYS  21 -12.322  -3.105  -3.798
  144    HE2  LYS  21           1HE      LYS  21 -11.965  -2.904  -1.339
  145    HE3  LYS  21           2HE      LYS  21 -11.542  -1.199  -1.545
  146    HZ1  LYS  21           3HZ      LYS  21 -13.874  -1.458  -0.930
  147    HZ2  LYS  21           1HZ      LYS  21 -14.176  -2.388  -2.234
  148    HZ3  LYS  21           2HZ      LYS  21 -13.780  -0.814  -2.426
  149    H    ASN  22           H        ASN  22  -7.780   0.206  -4.407
  150    HA   ASN  22           HA       ASN  22  -5.279   1.299  -3.246
  151    HB2  ASN  22           1HB      ASN  22  -5.860   1.530  -5.701
  152    HB3  ASN  22           2HB      ASN  22  -7.218   2.555  -5.231
  153   HD21  ASN  22          1HD2      ASN  22  -5.986   4.056  -6.742
  154   HD22  ASN  22          2HD2      ASN  22  -4.719   5.030  -6.008
  155    H    GLY  23           H        GLY  23  -5.335   3.422  -2.126
  156    HA2  GLY  23           1HA      GLY  23  -7.701   4.652  -1.163
  157    HA3  GLY  23           2HA      GLY  23  -7.190   3.478   0.049
  158    H    SER  24           H        SER  24  -7.331   5.980   0.883
  159    HA   SER  24           HA       SER  24  -5.097   7.688   0.451
  160    HB2  SER  24           1HB      SER  24  -5.882   8.823   2.526
  161    HB3  SER  24           2HB      SER  24  -7.157   8.551   1.326
  162    HG   SER  24           HG       SER  24  -7.872   7.974   3.411
  163    H    ASP  25           H        ASP  25  -5.575   5.126   2.926
  164    HA   ASP  25           HA       ASP  25  -3.158   5.811   4.315
  165    HB2  ASP  25           1HB      ASP  25  -5.220   4.474   5.136
  166    HB3  ASP  25           2HB      ASP  25  -4.429   3.069   4.413
  167    H    LEU  26           H        LEU  26  -3.720   3.749   1.511
  168    HA   LEU  26           HA       LEU  26  -1.024   2.633   1.450
  169    HB2  LEU  26           1HB      LEU  26  -2.792   1.494   0.247
  170    HB3  LEU  26           2HB      LEU  26  -3.172   2.949  -0.677
  171    HG   LEU  26           HG       LEU  26  -0.965   2.858  -1.792
  172   HD11  LEU  26          1HD1      LEU  26   0.398   1.709  -0.096
  173   HD12  LEU  26          2HD1      LEU  26   0.417   0.799  -1.607
  174   HD13  LEU  26          3HD1      LEU  26  -0.604   0.257  -0.258
  175   HD21  LEU  26          3HD2      LEU  26  -2.501   0.250  -1.967
  176   HD22  LEU  26          1HD2      LEU  26  -1.388   0.925  -3.186
  177   HD23  LEU  26          2HD2      LEU  26  -2.900   1.763  -2.813
  178    H    GLN  27           H        GLN  27  -2.640   5.543   0.055
  179    HA   GLN  27           HA       GLN  27  -0.386   6.503  -1.377
  180    HB2  GLN  27           1HB      GLN  27  -2.720   7.266  -1.650
  181    HB3  GLN  27           2HB      GLN  27  -2.645   8.084  -0.085
  182    HG2  GLN  27           1HG      GLN  27  -0.903   9.573  -0.887
  183    HG3  GLN  27           2HG      GLN  27  -0.792   8.689  -2.418
  184   HE21  GLN  27          1HE2      GLN  27  -3.097  10.637  -0.412
  185   HE22  GLN  27          2HE2      GLN  27  -4.016  11.204  -1.799
  186    H    ARG  28           H        ARG  28  -1.320   7.079   2.058
  187    HA   ARG  28           HA       ARG  28   0.952   8.664   2.840
  188    HB2  ARG  28           1HB      ARG  28  -0.580   6.562   4.441
  189    HB3  ARG  28           2HB      ARG  28   0.557   7.725   5.120
  190    HG2  ARG  28           1HG      ARG  28  -0.865   9.580   4.491
  191    HG3  ARG  28           2HG      ARG  28  -1.990   8.502   3.664
  192    HD2  ARG  28           1HD      ARG  28  -2.226   7.255   5.897
  193    HD3  ARG  28           2HD      ARG  28  -1.414   8.631   6.645
  194    HE   ARG  28           HE       ARG  28  -3.281  10.042   5.617
  195   HH11  ARG  28          2HH1      ARG  28  -3.965   6.684   6.585
  196   HH12  ARG  28          1HH1      ARG  28  -5.666   7.040   6.713
  197   HH21  ARG  28          2HH2      ARG  28  -5.451  10.337   5.836
  198   HH22  ARG  28          1HH2      ARG  28  -6.472   9.015   6.315
  199    H    HIS  29           H        HIS  29   0.507   5.145   2.992
  200    HA   HIS  29           HA       HIS  29   3.074   4.431   3.924
  201    HB2  HIS  29           1HB      HIS  29   1.168   2.908   3.881
  202    HB3  HIS  29           2HB      HIS  29   1.154   2.906   2.120
  203    HD1  HIS  29           1HD      HIS  29   3.019   1.330   5.042
  204    HD2  HIS  29           2HD      HIS  29   3.076   1.507   0.841
  205    HE1  HIS  29           1HE      HIS  29   4.602  -0.510   4.296
  206    H    ILE  30           H        ILE  30   2.055   4.965   0.531
  207    HA   ILE  30           HA       ILE  30   4.652   4.296  -0.592
  208    HB   ILE  30           HB       ILE  30   2.162   5.660  -1.654
  209   HG12  ILE  30          1HG1      ILE  30   3.540   3.009  -2.331
  210   HG13  ILE  30          2HG1      ILE  30   2.193   3.167  -1.203
  211   HG21  ILE  30          1HG2      ILE  30   4.012   6.724  -2.825
  212   HG22  ILE  30          2HG2      ILE  30   4.787   5.149  -3.087
  213   HG23  ILE  30          3HG2      ILE  30   3.272   5.572  -3.921
  214   HD11  ILE  30          3HD1      ILE  30   0.849   4.217  -3.056
  215   HD12  ILE  30          1HD1      ILE  30   2.145   3.715  -4.179
  216   HD13  ILE  30          2HD1      ILE  30   1.249   2.487  -3.275
  217    H    TRP  31           H        TRP  31   3.016   7.449  -0.055
  218    HA   TRP  31           HA       TRP  31   5.118   9.176  -0.733
  219    HB2  TRP  31           1HB      TRP  31   3.021   9.342   1.447
  220    HB3  TRP  31           2HB      TRP  31   4.149  10.640   1.120
  221    HD1  TRP  31           1HD      TRP  31   3.801   9.908  -2.205
  222    HE1  TRP  31           1HE      TRP  31   1.960  11.182  -3.358
  223    HE3  TRP  31           3HE      TRP  31   1.033  11.186   1.919
  224    HZ2  TRP  31           2HZ      TRP  31  -0.426  12.679  -2.611
  225    HZ3  TRP  31           3HZ      TRP  31  -1.023  12.563   1.659
  226    HH2  TRP  31           2HH      TRP  31  -1.750  13.324  -0.591
  227    H    ALA  32           H        ALA  32   4.813   7.246   2.221
  228    HA   ALA  32           HA       ALA  32   7.006   8.405   3.675
  229    HB1  ALA  32           1HB      ALA  32   5.209   7.058   4.704
  230    HB2  ALA  32           2HB      ALA  32   5.802   5.614   3.850
  231    HB3  ALA  32           3HB      ALA  32   6.816   6.400   5.073
  232    H    HIS  33           H        HIS  33   6.905   5.740   1.270
  233    HA   HIS  33           HA       HIS  33   9.749   5.114   1.494
  234    HB2  HIS  33           1HB      HIS  33   7.733   4.510  -0.699
  235    HB3  HIS  33           2HB      HIS  33   9.378   3.899  -0.620
  236    HD1  HIS  33           1HD      HIS  33   9.827   2.454   1.892
  237    HD2  HIS  33           2HD      HIS  33   6.051   2.749   0.088
  238    HE1  HIS  33           1HE      HIS  33   8.510   0.449   2.719
  239    H    GLU  34           H        GLU  34   7.794   7.400  -0.415
  240    HA   GLU  34           HA       GLU  34  10.015   8.246  -2.113
  241    HB2  GLU  34           1HB      GLU  34   7.291   9.485  -1.562
  242    HB3  GLU  34           2HB      GLU  34   8.468  10.119  -2.712
  243    HG2  GLU  34           1HG      GLU  34   8.470   7.887  -3.875
  244    HG3  GLU  34           2HG      GLU  34   7.112   7.403  -2.855
  245    H    GLY  35           H        GLY  35   9.569   8.750   1.171
  246    HA2  GLY  35           1HA      GLY  35  10.782  10.034   2.650
  247    HA3  GLY  35           2HA      GLY  35  11.703  10.699   1.297
  248    H    VAL  36           H        VAL  36   8.179  10.889   1.742
  249    HA   VAL  36           HA       VAL  36   7.865  13.601   1.172
  250    HB   VAL  36           HB       VAL  36   6.119  11.893   1.147
  251   HG11  VAL  36          1HG1      VAL  36   5.995  12.182   4.181
  252   HG12  VAL  36          2HG1      VAL  36   4.886  11.247   3.169
  253   HG13  VAL  36          3HG1      VAL  36   6.577  10.754   3.300
  254   HG21  VAL  36          3HG2      VAL  36   4.256  13.238   1.802
  255   HG22  VAL  36          1HG2      VAL  36   5.262  14.237   2.866
  256   HG23  VAL  36          2HG2      VAL  36   5.502  14.277   1.100
  257    H    LYS  37           H        LYS  37   7.468  15.471   2.334
  258    HA   LYS  37           HA       LYS  37   8.436  15.631   5.162
  259    HB2  LYS  37           1HB      LYS  37   9.119  17.506   2.859
  260    HB3  LYS  37           2HB      LYS  37   9.516  17.776   4.560
  261    HG2  LYS  37           1HG      LYS  37  10.893  15.698   4.572
  262    HG3  LYS  37           2HG      LYS  37  10.532  15.463   2.849
  263    HD2  LYS  37           1HD      LYS  37  11.590  17.646   2.325
  264    HD3  LYS  37           2HD      LYS  37  11.991  17.856   4.046
  265    HE2  LYS  37           1HE      LYS  37  13.327  15.765   3.987
  266    HE3  LYS  37           2HE      LYS  37  12.911  15.536   2.284
  267    HZ1  LYS  37           3HZ      LYS  37  14.079  17.619   1.788
  268    HZ2  LYS  37           1HZ      LYS  37  15.091  16.577   2.531
  269    HZ3  LYS  37           2HZ      LYS  37  14.462  17.832   3.363