*HEADER    TRANSCRIPTION                           26-JAN-15   2RUX              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF6) 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 402-430;                                      
*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: P060718-03                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RUX    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 CD1 CD2 HG
 &rst iat=72,77,81,76, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=91,96,100,95, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=87,104,90,91, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=106,125,109,110, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=129,134,132,133, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=127,137,130,131, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=151,156,154,155, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=149,164,152,153, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=168,172,176,171, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=170,179,177,178, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=166,183,169,170, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=197,202,200,201, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=199,205,203,204, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=195,208,198,199, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=212,217,215,216, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=214,220,218,219, &end
#
#  chirality for residue 17 atoms:  CG NE HD2 HD3
 &rst iat=217,223,221,222, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=210,232,213,214, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=238,244,242,243, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=234,254,237,238, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=258,263,261,262, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=256,274,259,260, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=278,283,281,282, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=280,286,284,285, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=286,292,290,291, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=283,289,287,288, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=276,296,279,280, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=298,310,301,302, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=316,322,320,321, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=312,325,315,316, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=331,336,340,335, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=327,344,330,331, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=346,356,349,350, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=362,368,366,367, &end
#
#  chirality for residue 25 atoms:  CG NE HD2 HD3
 &rst iat=365,371,369,370, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=358,380,361,362, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=382,392,385,386, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=396,401,399,400, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=398,404,402,403, &end
#
#  chirality for residue 27 atoms:  CG NE HD2 HD3
 &rst iat=401,407,405,406, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=394,416,397,398, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=420,425,423,424, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=418,433,421,422, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 29 atoms:  CB SD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=435,450,438,439, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=454,459,457,458, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=456,461,465,460, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=452,469,455,456, &end
#
#  chirality for residue 31 atoms:  CA CG1 CG2 HB
 &rst iat=473,477,481,476, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=471,485,474,475, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,502,490,491, &end
#
#  chirality for residue 33 atoms:  N C HA2 HA3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=513,518,516,517, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=511,521,514,515, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=525,530,528,529, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=527,533,531,532, &end
#
#  chirality for residue 35 atoms:  CD NZ HE2 HE3
 &rst iat=533,539,537,538, &end
#
#  chirality for residue 35 atoms:  CG CE HD2 HD3
 &rst iat=530,536,534,535, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=523,543,526,527, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=547,552,550,551, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=545,567,548,549, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=108,106,104,89, &end
#
#  trans-omega constraint for residue 11
 &rst iat=129,127,125,108, &end
#
#  trans-omega constraint for residue 12
 &rst iat=141,139,137,129, &end
#
#  trans-omega constraint for residue 13
 &rst iat=151,149,147,141, &end
#
#  trans-omega constraint for residue 14
 &rst iat=168,166,164,151, &end
#
#  trans-omega constraint for residue 15
 &rst iat=187,185,183,168, &end
#
#  trans-omega constraint for residue 16
 &rst iat=197,195,193,187, &end
#
#  trans-omega constraint for residue 17
 &rst iat=212,210,208,197, &end
#
#  trans-omega constraint for residue 18
 &rst iat=236,234,232,212, &end
#
#  trans-omega constraint for residue 19
 &rst iat=258,256,254,236, &end
#
#  trans-omega constraint for residue 20
 &rst iat=278,276,274,258, &end
#
#  trans-omega constraint for residue 21
 &rst iat=300,298,296,278, &end
#
#  trans-omega constraint for residue 22
 &rst iat=314,312,310,300, &end
#
#  trans-omega constraint for residue 23
 &rst iat=329,327,325,314, &end
#
#  trans-omega constraint for residue 24
 &rst iat=348,346,344,329, &end
#
#  trans-omega constraint for residue 25
 &rst iat=360,358,356,348, &end
#
#  trans-omega constraint for residue 26
 &rst iat=384,382,380,360, &end
#
#  trans-omega constraint for residue 27
 &rst iat=396,394,392,384, &end
#
#  trans-omega constraint for residue 28
 &rst iat=420,418,416,396, &end
#
#  trans-omega constraint for residue 29
 &rst iat=437,435,433,420, &end
#
#  trans-omega constraint for residue 30
 &rst iat=454,452,450,437, &end
#
#  trans-omega constraint for residue 31
 &rst iat=473,471,469,454, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,473, &end
#
#  trans-omega constraint for residue 33
 &rst iat=506,504,502,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=513,511,509,506, &end
#
#  trans-omega constraint for residue 35
 &rst iat=525,523,521,513, &end
#
#  trans-omega constraint for residue 36
 &rst iat=547,545,543,525, &end
#
# 7 GLY QA 8 LEU HG 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 LEU HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 LEU QD1 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  64,  65,
 igr2=  78,  79,  80,
 &end
#
# 7 GLY QA 8 LEU QD2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  64,  65,
 igr2=  82,  83,  84,
 &end
#
# 7 GLY QA 9 LEU HN 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=  64,  65,
 &end
#
# 8 LEU HA 10 TYR HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 107, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 8 LEU HA 20 LYS HA 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 279, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 8 LEU HA 20 LYS QG 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 284, 285,
 &end
#
# 8 LEU HA 8 LEU HG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8 LEU HA 8 LEU QD1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=  78,  79,  80,
 &end
#
# 8 LEU HA 8 LEU QD2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=  82,  83,  84,
 &end
#
# 8 LEU HA 9 LEU HN 2.54
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  88, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
# 8 LEU HA 9 LEU QB 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  92,  93,
 &end
#
# 8 LEU HB2 10 TYR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HB2 8 LEU QD1 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  78,  79,  80,
 &end
#
# 8 LEU HB2 9 LEU HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 8 LEU HB3 8 LEU QD1 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=  78,  79,  80,
 &end
#
# 8 LEU HB3 8 LEU QD2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  82,  83,  84,
 &end
#
# 8 LEU HB3 9 LEU HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  88, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 8 LEU HN 8 LEU HB2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 8 LEU HN 8 LEU HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  74, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 8 LEU HN 8 LEU HG 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  76, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 8 LEU HN 8 LEU QD1 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  78,  79,  80,
 &end
#
# 8 LEU HN 8 LEU QD2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=  82,  83,  84,
 &end
#
# 8 LEU HN 9 LEU HA 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  90, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 8 LEU QD1 18 LYS HB2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  78,  79,  80,
 &end
#
# 8 LEU QD1 18 LYS HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=  78,  79,  80,
 &end
#
# 8 LEU QD1 18 LYS HN 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  78,  79,  80,
 &end
#
# 8 LEU QD1 18 LYS QD 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  78,  79,  80,
 igr2= 245, 246,
 &end
#
# 8 LEU QD1 18 LYS QE 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  78,  79,  80,
 igr2= 248, 249,
 &end
#
# 8 LEU QD2 10 TYR HN 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 10 TYR QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  82,  83,  84,
 igr2= 115, 124,
 &end
#
# 8 LEU QD2 19 PHE HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 20 LYS HA 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 20 LYS HB2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 20 LYS HB3 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 20 LYS QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=  82,  83,  84,
 igr2= 287, 288,
 &end
#
# 8 LEU QD2 20 LYS QE 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  82,  83,  84,
 igr2= 290, 291,
 &end
#
# 8 LEU QD2 20 LYS QG 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  82,  83,  84,
 igr2= 284, 285,
 &end
#
# 8 LEU QD2 21 ASN HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  82,  83,  84,
 &end
#
# 8 LEU QD2 9 LEU HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  82,  83,  84,
 &end
#
# 9 LEU HA 9 LEU HG 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  95, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 9 LEU HA 9 LEU QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HA 9 LEU QD2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU HA 9 LEU QQD 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU HB2 10 TYR HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 107, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 9 LEU HB2 10 TYR QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 115, 124,
 &end
#
# 9 LEU HB2 10 TYR QE 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 117, 122,
 &end
#
# 9 LEU HB3 10 TYR HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 107, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 9 LEU HB3 10 TYR QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 115, 124,
 &end
#
# 9 LEU HB3 10 TYR QE 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 117, 122,
 &end
#
# 9 LEU HG 10 TYR HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 107, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 9 LEU HN 10 TYR HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 107, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 9 LEU HN 10 TYR QD 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 115, 124,
 &end
#
# 9 LEU HN 10 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 117, 122,
 &end
#
# 9 LEU HN 20 LYS HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 279, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 9 LEU HN 9 LEU HG 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  95, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 LEU HN 9 LEU QB 2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr2=  92,  93,
 &end
#
# 9 LEU HN 9 LEU QD1 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HN 9 LEU QD2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU HN 9 LEU QQD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QB 10 TYR QE 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  92,  93,
 igr2= 117, 122,
 &end
#
# 9 LEU QB 9 LEU QQD 2.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QD1 10 TYR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD2 10 TYR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QQD 10 TYR HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 10 TYR QD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 115, 124,
 &end
#
# 9 LEU QQD 10 TYR QE 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 117, 122,
 &end
#
# 10 TYR HA 10 TYR QD 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 115, 124,
 &end
#
# 10 TYR HA 10 TYR QE 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 117, 122,
 &end
#
# 10 TYR HA 11 ASP HN 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 128, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 10 TYR HA 11 ASP QB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 132, 133,
 &end
#
# 10 TYR HA 19 PHE HN 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 257, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 10 TYR HA 25 ARG QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 366, 367,
 &end
#
# 10 TYR HB2 11 ASP HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 128, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 10 TYR HB2 19 PHE HB2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 261, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 10 TYR HB2 19 PHE HB3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 10 TYR HB2 19 PHE HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 257, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 10 TYR HB2 19 PHE QD 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 265, 273,
 &end
#
# 10 TYR HB2 21 ASN HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 299, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 10 TYR HB2 22 GLU HA 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 315, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 10 TYR HB2 25 ARG HB2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 363, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 10 TYR HB2 25 ARG HB3 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 364, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 10 TYR HB2 25 ARG HD3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HB2 25 ARG HE 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 372, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 10 TYR HB2 25 ARG HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 359, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 10 TYR HB2 25 ARG QG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 366, 367,
 &end
#
# 10 TYR HB3 11 ASP QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 132, 133,
 &end
#
# 10 TYR HB3 19 PHE HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HB3 19 PHE QD 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 265, 273,
 &end
#
# 10 TYR HB3 22 GLU HA 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 315, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 10 TYR HB3 25 ARG HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HB3 25 ARG HB2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 363, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 10 TYR HB3 25 ARG HB3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 364, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 10 TYR HB3 25 ARG HD3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 370, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 10 TYR HB3 25 ARG HG2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 366, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 10 TYR HB3 25 ARG HG3 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 367, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 10 TYR HB3 25 ARG QG 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 366, 367,
 &end
#
# 10 TYR HN 10 TYR HB2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 10 TYR HN 10 TYR HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 10 TYR HN 10 TYR QD 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 115, 124,
 &end
#
# 10 TYR HN 10 TYR QE 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 117, 122,
 &end
#
# 10 TYR HN 18 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HN 18 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HN 18 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
# 10 TYR HN 19 PHE HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR HN 19 PHE QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 265, 273,
 &end
#
# 10 TYR HN 21 ASN HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TYR QD 11 ASP HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 19 PHE HN 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 21 ASN HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 22 GLU HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 22 GLU HG2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 22 GLU HG3 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 22 GLU HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 115, 124,
 &end
#
# 10 TYR QD 22 GLU QB 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 115, 124,
 igr2= 317, 318,
 &end
#
# 10 TYR QD 22 GLU QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 115, 124,
 igr2= 320, 321,
 &end
#
# 10 TYR QD 23 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 115, 124,
 &end
#
# 10 TYR QE 21 ASN HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HA 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HB2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HB3 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HG2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HG3 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 117, 122,
 &end
#
# 10 TYR QE 22 GLU QB 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 117, 122,
 igr2= 317, 318,
 &end
#
# 10 TYR QE 22 GLU QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 117, 122,
 igr2= 320, 321,
 &end
#
# 11 ASP HA 12 CYM  HB2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 11 ASP HA 12 CYM  HB3 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 144, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 11 ASP HA 12 CYM  HN 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 11 ASP HA 18 LYS HB3 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 240, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 11 ASP HA 18 LYS QD 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 245, 246,
 &end
#
# 11 ASP HA 18 LYS QG 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 242, 243,
 &end
#
# 11 ASP HA 19 PHE HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 257, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 11 ASP HA 19 PHE QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 265, 273,
 &end
#
# 11 ASP HB2 12 CYM  HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 11 ASP HB2 18 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
# 11 ASP HB2 18 LYS QG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 242, 243,
 &end
#
# 11 ASP HB3 12 CYM  HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 11 ASP HB3 18 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
# 11 ASP HB3 18 LYS QG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 242, 243,
 &end
#
# 11 ASP HN 11 ASP QB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 132, 133,
 &end
#
# 11 ASP HN 18 LYS QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 242, 243,
 &end
#
# 11 ASP HN 19 PHE QD 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 265, 273,
 &end
#
# 11 ASP HN 25 ARG HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 ASP HN 25 ARG HD3 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 370, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 11 ASP HN 25 ARG HG2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 366, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 11 ASP HN 25 ARG HG3 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 367, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 11 ASP HN 25 ARG QG 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 366, 367,
 &end
#
# 11 ASP QB 12 CYM  HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 132, 133,
 &end
#
# 11 ASP QB 18 LYS HB3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 132, 133,
 &end
#
# 11 ASP QB 18 LYS QD 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 132, 133,
 igr2= 245, 246,
 &end
#
# 11 ASP QB 18 LYS QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 132, 133,
 igr2= 242, 243,
 &end
#
# 11 ASP QB 19 PHE HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 132, 133,
 &end
#
# 12 CYM  HA 25 ARG HD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 369, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 12 CYM  HA 25 ARG HD3 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 370, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 12 CYM  HA 25 ARG QG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 366, 367,
 &end
#
# 12 CYM  HA 28 HIS HD2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 432, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 12 CYM  HA 29 MET QE 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 447, 448, 449,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 186, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 12 CYM  HB2 16 GLU HN 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 196, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 12 CYM  HB2 17 ARG HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 211, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 12 CYM  HB2 17 ARG QB 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 215, 216,
 &end
#
# 12 CYM  HB2 19 PHE HZ 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 12 CYM  HB2 19 PHE QD 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 265, 273,
 &end
#
# 12 CYM  HB2 19 PHE QE 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 267, 271,
 &end
#
# 12 CYM  HB2 25 ARG HD3 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 370, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 12 CYM  HB2 25 ARG QG 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 366, 367,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 432, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 12 CYM  HB3 15 CYM  HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 186, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 12 CYM  HB3 16 GLU HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 196, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 12 CYM  HB3 17 ARG HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 215, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 12 CYM  HB3 17 ARG HB3 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 216, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 12 CYM  HB3 17 ARG HN 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 211, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 12 CYM  HB3 17 ARG QB 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 215, 216,
 &end
#
# 12 CYM  HB3 19 PHE QD 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 265, 273,
 &end
#
# 12 CYM  HB3 19 PHE QE 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 267, 271,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 432, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 145, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 12 CYM  HN 16 GLU HA 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 198, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 12 CYM  HN 16 GLU HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 12 CYM  HN 17 ARG HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 211, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 12 CYM  HN 18 LYS HA 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 237, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 12 CYM  HN 18 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HN 18 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
# 12 CYM  HN 18 LYS QG 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 242, 243,
 &end
#
# 12 CYM  HN 19 PHE QD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 265, 273,
 &end
#
# 12 CYM  HN 19 PHE QE 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 267, 271,
 &end
#
# 12 CYM  HN 25 ARG QG 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 366, 367,
 &end
#
# 12 CYM  HN 28 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 HIS HB2 13 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 13 HIS HB2 14 ILE QD1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 180, 181, 182,
 &end
#
# 13 HIS HB2 14 ILE QG1 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 177, 178,
 &end
#
# 13 HIS HB2 29 MET QE 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 447, 448, 449,
 &end
#
# 13 HIS HB3 14 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 180, 181, 182,
 &end
#
# 13 HIS HB3 14 ILE QG1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 177, 178,
 &end
#
# 13 HIS HB3 29 MET QE 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 447, 448, 449,
 &end
#
# 13 HIS HD2 14 ILE QD1 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 180, 181, 182,
 &end
#
# 13 HIS HD2 14 ILE QG1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 177, 178,
 &end
#
# 13 HIS HD2 29 MET QE 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 447, 448, 449,
 &end
#
# 13 HIS HE1 14 ILE QD1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 180, 181, 182,
 &end
#
# 13 HIS HE1 29 MET QE 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE HA 14 ILE HG12 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 177, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 14 ILE HA 14 ILE HG13 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 178, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 14 ILE HA 14 ILE QD1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 180, 181, 182,
 &end
#
# 14 ILE HA 14 ILE QG1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 177, 178,
 &end
#
# 14 ILE HA 14 ILE QG2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 173, 174, 175,
 &end
#
# 14 ILE HB 14 ILE QD1 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 180, 181, 182,
 &end
#
# 14 ILE HB 15 CYM  HB3 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 190, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 14 ILE HB 15 CYM  HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 186, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 14 ILE HB 29 MET QE 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE HB 32 HIS HD2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 501, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 14 ILE HB 32 HIS HE1 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 498, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 14 ILE HG12 15 CYM  HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 186, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 14 ILE HG12 29 MET QE 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE HG13 15 CYM  HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 186, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 14 ILE HG13 29 MET QE 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE HN 14 ILE HB 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 14 ILE HN 15 CYM  HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 186, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 14 ILE QD1 15 CYM  HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 180, 181, 182,
 &end
#
# 14 ILE QD1 29 MET QE 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 180, 181, 182,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE QD1 32 HIS HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 180, 181, 182,
 &end
#
# 14 ILE QD1 32 HIS HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 180, 181, 182,
 &end
#
# 14 ILE QD1 32 HIS HD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 180, 181, 182,
 &end
#
# 14 ILE QG1 15 CYM  HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 177, 178,
 &end
#
# 14 ILE QG1 32 HIS HB2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 177, 178,
 &end
#
# 14 ILE QG1 32 HIS HB3 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 177, 178,
 &end
#
# 14 ILE QG1 32 HIS HD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 177, 178,
 &end
#
# 14 ILE QG1 32 HIS HE1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 177, 178,
 &end
#
# 14 ILE QG2 14 ILE HG12 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 14 ILE HG13 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 14 ILE QD1 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 173, 174, 175,
 igr2= 180, 181, 182,
 &end
#
# 14 ILE QG2 14 ILE QG1 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 173, 174, 175,
 igr2= 177, 178,
 &end
#
# 14 ILE QG2 15 CYM  HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 15 CYM  HB2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 15 CYM  HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 15 CYM  HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 29 MET QE 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 173, 174, 175,
 igr2= 447, 448, 449,
 &end
#
# 14 ILE QG2 32 HIS HB2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 32 HIS HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 32 HIS HD2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 173, 174, 175,
 &end
#
# 14 ILE QG2 32 HIS HE1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 173, 174, 175,
 &end
#
# 15 CYM  HA 16 GLU QB 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 200, 201,
 &end
#
# 15 CYM  HA 32 HIS HE1 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 498, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 15 CYM  HB2 16 GLU HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 15 CYM  HB2 16 GLU QB 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 200, 201,
 &end
#
# 15 CYM  HB2 32 HIS HE1 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 498, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 15 CYM  HB3 16 GLU HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 196, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 15 CYM  HB3 16 GLU QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 200, 201,
 &end
#
# 15 CYM  HB3 32 HIS HE1 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 498, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 191, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 190, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 15 CYM  HN 16 GLU HA 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 198, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 15 CYM  HN 16 GLU HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 196, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 15 CYM  HN 16 GLU QB 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 200, 201,
 &end
#
# 15 CYM  HN 16 GLU QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 203, 204,
 &end
#
# 15 CYM  HN 17 ARG HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 211, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 15 CYM  HN 32 HIS HE1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 498, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 16 GLU HA 16 GLU QG 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 203, 204,
 &end
#
# 16 GLU HN 16 GLU QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 200, 201,
 &end
#
# 16 GLU HN 16 GLU QG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 203, 204,
 &end
#
# 16 GLU QB 17 ARG HA 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 200, 201,
 &end
#
# 16 GLU QB 17 ARG HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 200, 201,
 &end
#
# 16 GLU QG 17 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 203, 204,
 &end
#
# 17 ARG HA 17 ARG HD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 221, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 17 ARG HA 17 ARG HD3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 17 ARG HA 17 ARG HG2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 17 ARG HA 17 ARG HG3 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 17 ARG HA 17 ARG QD 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 221, 222,
 &end
#
# 17 ARG HA 17 ARG QG 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 218, 219,
 &end
#
# 17 ARG HA 18 LYS HB2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 239, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 17 ARG HA 18 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HA 18 LYS HN 2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 235, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 17 ARG HA 18 LYS QG 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 242, 243,
 &end
#
# 17 ARG HB2 19 PHE HZ 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 269, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 17 ARG HB2 19 PHE QE 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 267, 271,
 &end
#
# 17 ARG HB3 19 PHE HZ 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 269, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 17 ARG HB3 19 PHE QE 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 267, 271,
 &end
#
# 17 ARG HD2 18 LYS HN 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 17 ARG HD2 19 PHE HZ 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 269, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 17 ARG HD3 18 LYS HN 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 235, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 17 ARG HD3 19 PHE HZ 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 269, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 17 ARG HG2 18 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 235, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 17 ARG HG2 19 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HG3 18 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 17 ARG HG3 19 PHE HZ 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HN 17 ARG HB2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 215, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 17 ARG HN 17 ARG HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 216, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 17 ARG HN 17 ARG HG2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 17 ARG HN 17 ARG HG3 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 219, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 17 ARG HN 17 ARG QG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 218, 219,
 &end
#
# 17 ARG HN 18 LYS HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 235, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 17 ARG QB 17 ARG QD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 215, 216,
 igr2= 221, 222,
 &end
#
# 17 ARG QB 18 LYS HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 215, 216,
 &end
#
# 17 ARG QB 19 PHE HZ 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 215, 216,
 &end
#
# 17 ARG QB 19 PHE QE 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 215, 216,
 igr2= 267, 271,
 &end
#
# 17 ARG QB 28 HIS HD2 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 215, 216,
 &end
#
# 17 ARG QB 28 HIS HE1 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 215, 216,
 &end
#
# 17 ARG QD 18 LYS HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 221, 222,
 &end
#
# 17 ARG QD 19 PHE QE 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 221, 222,
 igr2= 267, 271,
 &end
#
# 17 ARG QD 28 HIS HE1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 221, 222,
 &end
#
# 17 ARG QG 19 PHE HZ 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 218, 219,
 &end
#
# 17 ARG QG 19 PHE QE 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 218, 219,
 igr2= 267, 271,
 &end
#
# 17 ARG QG 28 HIS HE1 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 218, 219,
 &end
#
# 18 LYS HA 18 LYS QD 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 245, 246,
 &end
#
# 18 LYS HA 18 LYS QG 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 242, 243,
 &end
#
# 18 LYS HA 19 PHE HN 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 257, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 18 LYS HA 19 PHE QD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 265, 273,
 &end
#
# 18 LYS HB2 18 LYS QE 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 248, 249,
 &end
#
# 18 LYS HB2 19 PHE HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 257, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 18 LYS HB3 18 LYS QE 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 248, 249,
 &end
#
# 18 LYS HB3 18 LYS QG 2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2= 242, 243,
 &end
#
# 18 LYS HB3 19 PHE HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 18 LYS HN 18 LYS HB2 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 18 LYS HN 18 LYS HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 18 LYS HN 18 LYS QD 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 245, 246,
 &end
#
# 18 LYS HN 18 LYS QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 242, 243,
 &end
#
# 18 LYS HN 19 PHE HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 257, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 18 LYS QD 19 PHE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 246,
 &end
#
# 18 LYS QE 19 PHE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 248, 249,
 &end
#
# 18 LYS QG 18 LYS QD 2.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 242, 243,
 igr2= 245, 246,
 &end
#
# 18 LYS QG 18 LYS QE 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 242, 243,
 igr2= 248, 249,
 &end
#
# 18 LYS QG 19 PHE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 242, 243,
 &end
#
# 19 PHE HA 19 PHE QD 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 265, 273,
 &end
#
# 19 PHE HB2 20 LYS HA 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 279, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 19 PHE HB2 20 LYS HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 277, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 19 PHE HB2 21 ASN HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 299, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 19 PHE HB2 22 GLU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HB2 25 ARG HA 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 361, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 19 PHE HB2 25 ARG HB2 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 363, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 PHE HB2 25 ARG HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 364, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 19 PHE HB2 25 ARG HE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HB2 25 ARG HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 359, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 19 PHE HB2 25 ARG QG 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 366, 367,
 &end
#
# 19 PHE HB3 20 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 277, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 19 PHE HB3 21 ASN HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 299, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 19 PHE HB3 24 ASP HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 347, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 19 PHE HB3 24 ASP QB 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 351, 352,
 &end
#
# 19 PHE HB3 25 ARG HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 361, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 PHE HB3 25 ARG HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 363, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 19 PHE HB3 25 ARG HB3 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 364, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 19 PHE HB3 25 ARG HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 359, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 19 PHE HN 19 PHE HB2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 19 PHE HN 19 PHE HB3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 19 PHE HN 19 PHE QD 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 265, 273,
 &end
#
# 19 PHE HN 19 PHE QE 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 267, 271,
 &end
#
# 19 PHE HN 20 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HN 25 ARG HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HN 25 ARG QG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 366, 367,
 &end
#
# 19 PHE HZ 25 ARG HA 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 361, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 19 PHE HZ 28 HIS HB2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 423, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 19 PHE HZ 28 HIS HB3 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 424, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 PHE HZ 28 HIS HD2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 432, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 19 PHE HZ 28 HIS HE1 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 19 PHE HZ 28 HIS HN 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 419, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 19 PHE QD 21 ASN HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 24 ASP HA 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 24 ASP QB 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 265, 273,
 igr2= 351, 352,
 &end
#
# 19 PHE QD 25 ARG HA 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HB2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HB3 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HE 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HG2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HG3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 265, 273,
 &end
#
# 19 PHE QD 25 ARG QG 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 265, 273,
 igr2= 366, 367,
 &end
#
# 19 PHE QD 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265, 273,
 &end
#
# 19 PHE QE 24 ASP QB 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 267, 271,
 igr2= 351, 352,
 &end
#
# 19 PHE QE 25 ARG HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 267, 271,
 &end
#
# 19 PHE QE 25 ARG QG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 267, 271,
 igr2= 366, 367,
 &end
#
# 19 PHE QE 28 HIS HB2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 267, 271,
 &end
#
# 19 PHE QE 28 HIS HB3 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 267, 271,
 &end
#
# 19 PHE QE 28 HIS HD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 267, 271,
 &end
#
# 19 PHE QE 28 HIS HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 267, 271,
 &end
#
# 20 LYS HA 20 LYS QD 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 287, 288,
 &end
#
# 20 LYS HA 20 LYS QG 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 284, 285,
 &end
#
# 20 LYS HB2 20 LYS QD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 287, 288,
 &end
#
# 20 LYS HB2 21 ASN HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 299, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 20 LYS HB3 20 LYS QD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 287, 288,
 &end
#
# 20 LYS HB3 21 ASN HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 299, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 20 LYS HN 20 LYS QG 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 284, 285,
 &end
#
# 20 LYS HN 21 ASN HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 299, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 20 LYS HN 24 ASP QB 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 351, 352,
 &end
#
# 20 LYS QB 21 ASN HD21 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 281, 282,
 &end
#
# 20 LYS QB 21 ASN HD22 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 281, 282,
 &end
#
# 20 LYS QD 21 ASN HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 287, 288,
 &end
#
# 20 LYS QG 20 LYS QD 2.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 284, 285,
 igr2= 287, 288,
 &end
#
# 20 LYS QG 20 LYS QE 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 285,
 igr2= 290, 291,
 &end
#
# 20 LYS QG 21 ASN HD21 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 284, 285,
 &end
#
# 20 LYS QG 21 ASN HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 284, 285,
 &end
#
# 20 LYS QG 24 ASP QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 284, 285,
 igr2= 351, 352,
 &end
#
# 21 ASN HB2 22 GLU HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 21 ASN HB2 23 LEU HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 333, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 21 ASN HB3 22 GLU HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 313, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 21 ASN HB3 23 LEU HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 333, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 21 ASN HD21 22 GLU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN HD21 23 LEU HB3 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 333, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 21 ASN HD21 24 ASP HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 21 ASN HD22 23 LEU QQD 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 337, 338, 339, 341, 342, 343,
 &end
#
# 21 ASN HD22 24 ASP HN 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 347, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 21 ASN HN 21 ASN HD22 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 21 ASN HN 21 ASN QB 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 303, 304,
 &end
#
# 21 ASN HN 22 GLU HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 21 ASN HN 24 ASP HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ASN HN 24 ASP QB 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 351, 352,
 &end
#
# 21 ASN HN 25 ARG HB2 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 363, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 21 ASN HN 25 ARG HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 359, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 21 ASN QB 21 ASN HD21 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 303, 304,
 &end
#
# 21 ASN QB 21 ASN HD22 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 303, 304,
 &end
#
# 21 ASN QB 22 GLU HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 303, 304,
 &end
#
# 21 ASN QB 23 LEU HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 303, 304,
 &end
#
# 21 ASN QB 23 LEU QQD 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 303, 304,
 igr2= 337, 338, 339, 341, 342, 343,
 &end
#
# 21 ASN QB 24 ASP HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 303, 304,
 &end
#
# 22 GLU HA 22 GLU HG2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 22 GLU HA 22 GLU HG3 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 321, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 22 GLU HA 22 GLU QG 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 320, 321,
 &end
#
# 22 GLU HA 24 ASP QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 351, 352,
 &end
#
# 22 GLU HA 25 ARG HB2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 GLU HA 25 ARG HB3 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 22 GLU HA 25 ARG HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 359, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 22 GLU HA 26 ASP HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 GLU HA 26 ASP QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 387, 388,
 &end
#
# 22 GLU HB2 23 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 328, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 22 GLU HB3 23 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 22 GLU HN 22 GLU HB2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 22 GLU HN 22 GLU HB3 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 22 GLU HN 22 GLU HG2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 22 GLU HN 22 GLU HG3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 22 GLU HN 22 GLU QB 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 317, 318,
 &end
#
# 22 GLU HN 23 LEU HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 328, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 22 GLU HN 24 ASP HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 347, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 22 GLU HN 25 ARG HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 359, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 22 GLU QB 23 LEU HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 317, 318,
 &end
#
# 22 GLU QG 23 LEU HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 320, 321,
 &end
#
# 22 GLU QG 26 ASP HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 320, 321,
 &end
#
# 23 LEU HA 23 LEU HG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 335, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 23 LEU HA 23 LEU QD1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 337, 338, 339,
 &end
#
# 23 LEU HA 23 LEU QD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 341, 342, 343,
 &end
#
# 23 LEU HA 23 LEU QQD 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 337, 338, 339, 341, 342, 343,
 &end
#
# 23 LEU HA 25 ARG HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 359, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 23 LEU HA 26 ASP HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 383, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 23 LEU HA 26 ASP QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 387, 388,
 &end
#
# 23 LEU HA 27 ARG HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 395, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 23 LEU HB2 23 LEU QD1 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 337, 338, 339,
 &end
#
# 23 LEU HB2 23 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 341, 342, 343,
 &end
#
# 23 LEU HB2 26 ASP QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 387, 388,
 &end
#
# 23 LEU HB3 24 ASP QB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 351, 352,
 &end
#
# 23 LEU HG 24 ASP HA 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 23 LEU HG 24 ASP HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 23 LEU HG 24 ASP QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 351, 352,
 &end
#
# 23 LEU HG 26 ASP QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 387, 388,
 &end
#
# 23 LEU HG 27 ARG HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 395, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 23 LEU HG 27 ARG QD 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 405, 406,
 &end
#
# 23 LEU HN 23 LEU HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 23 LEU HN 23 LEU HB3 2.64
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
# 23 LEU HN 23 LEU HG 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 23 LEU HN 23 LEU QD1 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 337, 338, 339,
 &end
#
# 23 LEU HN 23 LEU QD2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 341, 342, 343,
 &end
#
# 23 LEU HN 24 ASP HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 LEU HN 25 ARG HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 359, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 23 LEU HN 26 ASP HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 383, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 23 LEU QD1 24 ASP HN 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 337, 338, 339,
 &end
#
# 23 LEU QD1 27 ARG QD 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 337, 338, 339,
 igr2= 405, 406,
 &end
#
# 23 LEU QD2 24 ASP HN 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 341, 342, 343,
 &end
#
# 23 LEU QD2 27 ARG QD 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 341, 342, 343,
 igr2= 405, 406,
 &end
#
# 23 LEU QQD 24 ASP HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 337, 338, 339, 341, 342, 343,
 &end
#
# 23 LEU QQD 24 ASP QB 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 337, 338, 339, 341, 342, 343,
 igr2= 351, 352,
 &end
#
# 23 LEU QQD 26 ASP QB 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 337, 338, 339, 341, 342, 343,
 igr2= 387, 388,
 &end
#
# 23 LEU QQD 27 ARG HG2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 337, 338, 339, 341, 342, 343,
 &end
#
# 23 LEU QQD 27 ARG HG3 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 337, 338, 339, 341, 342, 343,
 &end
#
# 23 LEU QQD 27 ARG HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 337, 338, 339, 341, 342, 343,
 &end
#
# 23 LEU QQD 27 ARG QB 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 337, 338, 339, 341, 342, 343,
 igr2= 399, 400,
 &end
#
# 23 LEU QQD 27 ARG QD 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 337, 338, 339, 341, 342, 343,
 igr2= 405, 406,
 &end
#
# 24 ASP HA 24 ASP QB 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 351, 352,
 &end
#
# 24 ASP HA 25 ARG HA 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 24 ASP HA 27 ARG HG2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 402, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 24 ASP HA 27 ARG HG3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 24 ASP HA 27 ARG HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 395, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 24 ASP HA 27 ARG QD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 405, 406,
 &end
#
# 24 ASP HN 24 ASP QB 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 351, 352,
 &end
#
# 24 ASP HN 25 ARG HB2 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 24 ASP HN 25 ARG HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 ASP HN 25 ARG HN 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 359, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 24 ASP HN 26 ASP HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 24 ASP HN 27 ARG HG2 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 402, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 24 ASP QB 25 ARG HA 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 351, 352,
 &end
#
# 24 ASP QB 25 ARG HB2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 351, 352,
 &end
#
# 24 ASP QB 25 ARG HN 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1= 351, 352,
 &end
#
# 24 ASP QB 27 ARG HG2 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 351, 352,
 &end
#
# 25 ARG HA 25 ARG HD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 25 ARG HA 25 ARG HD3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 370, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 25 ARG HA 25 ARG HE 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 25 ARG HA 25 ARG HG2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 25 ARG HA 25 ARG HG3 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 25 ARG HA 25 ARG QG 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 366, 367,
 &end
#
# 25 ARG HA 26 ASP HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HA 27 ARG HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 25 ARG HA 28 HIS HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 423, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 25 ARG HA 28 HIS HB3 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 424, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 25 ARG HA 28 HIS HD2 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 432, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 25 ARG HA 28 HIS HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 419, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 25 ARG HA 29 MET HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 436, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 25 ARG HB2 25 ARG HE 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 25 ARG HB2 26 ASP HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 383, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 25 ARG HB3 25 ARG HD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 25 ARG HB3 25 ARG HE 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 372, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 25 ARG HB3 26 ASP HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 385, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 25 ARG HB3 26 ASP HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 25 ARG HB3 26 ASP QB 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 387, 388,
 &end
#
# 25 ARG HB3 27 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HB3 28 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HD2 26 ASP HA 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 385, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 25 ARG HD2 26 ASP HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 25 ARG HD2 29 MET QG 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 443, 444,
 &end
#
# 25 ARG HD3 26 ASP HA 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 385, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 25 ARG HD3 26 ASP HN 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 25 ARG HD3 29 MET HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HD3 29 MET QE 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 447, 448, 449,
 &end
#
# 25 ARG HD3 29 MET QG 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 443, 444,
 &end
#
# 25 ARG HE 26 ASP HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 385, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 25 ARG HE 26 ASP HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 25 ARG HE 26 ASP QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 387, 388,
 &end
#
# 25 ARG HN 25 ARG HB2 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 25 ARG HN 25 ARG HB3 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 25 ARG HN 25 ARG HD2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 369, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 25 ARG HN 25 ARG HE 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 25 ARG HN 25 ARG HG2 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 25 ARG HN 25 ARG HG3 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 25 ARG HN 25 ARG QG 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 366, 367,
 &end
#
# 25 ARG HN 26 ASP HN 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 25 ARG HN 27 ARG HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HN 27 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HN 27 ARG HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 25 ARG HN 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 ARG HN 28 HIS HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 419, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 25 ARG QG 26 ASP HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 366, 367,
 &end
#
# 25 ARG QG 28 HIS HD2 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 366, 367,
 &end
#
# 26 ASP HA 29 MET HB2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 440, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 26 ASP HA 29 MET HB3 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 441, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 26 ASP HA 29 MET HG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26 ASP HA 29 MET HG3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 444, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26 ASP HA 29 MET HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 26 ASP HA 29 MET QE 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 447, 448, 449,
 &end
#
# 26 ASP HA 29 MET QG 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 443, 444,
 &end
#
# 26 ASP HB2 27 ARG HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 397, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 26 ASP HB2 27 ARG HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASP HB2 27 ARG HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 26 ASP HB3 27 ARG HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 26 ASP HB3 27 ARG HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASP HB3 27 ARG HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 26 ASP HN 26 ASP HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26 ASP HN 26 ASP HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26 ASP HN 26 ASP QB 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 387, 388,
 &end
#
# 26 ASP HN 27 ARG HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASP HN 27 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ASP HN 27 ARG HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 26 ASP HN 27 ARG QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 399, 400,
 &end
#
# 26 ASP HN 28 HIS HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 419, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 26 ASP QB 27 ARG HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1= 387, 388,
 &end
#
# 26 ASP QB 27 ARG QB 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 387, 388,
 igr2= 399, 400,
 &end
#
# 26 ASP QB 29 MET HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 387, 388,
 &end
#
# 26 ASP QB 30 LEU QD2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 387, 388,
 igr2= 466, 467, 468,
 &end
#
# 27 ARG HA 27 ARG HG3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 27 ARG HA 27 ARG QB 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 399, 400,
 &end
#
# 27 ARG HA 27 ARG QD 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 405, 406,
 &end
#
# 27 ARG HA 29 MET HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 436, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 27 ARG HA 30 LEU HG 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 460, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 27 ARG HA 30 LEU HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 453, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 27 ARG HA 30 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 462, 463, 464,
 &end
#
# 27 ARG HA 30 LEU QD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 466, 467, 468,
 &end
#
# 27 ARG HG2 28 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ARG HG2 28 HIS HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 27 ARG HG3 28 HIS HA 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 421, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 27 ARG HG3 28 HIS HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 419, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 27 ARG HG3 30 LEU QD1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 462, 463, 464,
 &end
#
# 27 ARG HN 27 ARG HG2 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 27 ARG HN 27 ARG HG3 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 27 ARG HN 27 ARG QB 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 399, 400,
 &end
#
# 27 ARG HN 27 ARG QD 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 405, 406,
 &end
#
# 27 ARG HN 28 HIS HB3 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 424, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 27 ARG HN 28 HIS HN 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 27 ARG HN 29 MET HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 436, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 27 ARG HN 30 LEU HN 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 453, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 27 ARG QB 27 ARG HG3 2.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr1= 399, 400,
 &end
#
# 27 ARG QB 27 ARG QD 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 399, 400,
 igr2= 405, 406,
 &end
#
# 27 ARG QB 28 HIS HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 399, 400,
 &end
#
# 27 ARG QB 28 HIS HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 399, 400,
 &end
#
# 27 ARG QB 29 MET HN 5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 399, 400,
 &end
#
# 27 ARG QB 30 LEU QD1 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 399, 400,
 igr2= 462, 463, 464,
 &end
#
# 27 ARG QB 30 LEU QD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 399, 400,
 igr2= 466, 467, 468,
 &end
#
# 27 ARG QD 30 LEU QD1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 405, 406,
 igr2= 462, 463, 464,
 &end
#
# 28 HIS HA 28 HIS HD2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 432, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 28 HIS HA 29 MET HA 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 28 HIS HA 30 LEU HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 28 HIS HA 31 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HA 31 VAL HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 472, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 HIS HA 31 VAL QG1 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 478, 479, 480,
 &end
#
# 28 HIS HA 31 VAL QG2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 482, 483, 484,
 &end
#
# 28 HIS HB2 29 MET HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 436, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 28 HIS HB3 28 HIS HD2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 28 HIS HB3 29 MET HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 436, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 28 HIS HB3 30 LEU HN 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 453, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 28 HIS HD2 29 MET HA 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 438, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 28 HIS HD2 29 MET HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 28 HIS HD2 29 MET QE 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 447, 448, 449,
 &end
#
# 28 HIS HD2 29 MET QG 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 443, 444,
 &end
#
# 28 HIS HD2 31 VAL QG2 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 482, 483, 484,
 &end
#
# 28 HIS HD2 32 HIS HD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 501, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 28 HIS HE1 31 VAL QG1 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 478, 479, 480,
 &end
#
# 28 HIS HE1 31 VAL QG2 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 482, 483, 484,
 &end
#
# 28 HIS HN 28 HIS HB2 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 28 HIS HN 28 HIS HB3 2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 28 HIS HN 29 MET HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 28 HIS HN 30 LEU HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 453, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 29 MET HA 29 MET HG2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 29 MET HA 29 MET HG3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 444, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 29 MET HA 29 MET QE 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 447, 448, 449,
 &end
#
# 29 MET HA 29 MET QG 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 443, 444,
 &end
#
# 29 MET HA 31 VAL HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 29 MET HA 31 VAL QG1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 478, 479, 480,
 &end
#
# 29 MET HA 31 VAL QG2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 482, 483, 484,
 &end
#
# 29 MET HA 32 HIS HB2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 492, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 MET HA 32 HIS HB3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 493, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 29 MET HA 32 HIS HD2 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 501, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 29 MET HA 32 HIS HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 488, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 29 MET HB2 30 LEU HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 453, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 29 MET HB2 32 HIS HD2 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 501, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 29 MET HB3 30 LEU HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 MET HB3 32 HIS HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 492, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 29 MET HB3 32 HIS HD2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 501, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 29 MET HG2 29 MET QE 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 447, 448, 449,
 &end
#
# 29 MET HG2 30 LEU HN 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 29 MET HG2 32 HIS HD2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 501, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 29 MET HG3 29 MET QE 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 447, 448, 449,
 &end
#
# 29 MET HG3 30 LEU HN 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 453, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 29 MET HG3 32 HIS HD2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 501, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 29 MET HN 29 MET HB2 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 440, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 29 MET HN 29 MET HB3 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 441, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 29 MET HN 29 MET HG2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29 MET HN 29 MET HG3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29 MET HN 29 MET QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 447, 448, 449,
 &end
#
# 29 MET HN 29 MET QG 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 443, 444,
 &end
#
# 29 MET HN 30 LEU HN 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 29 MET HN 31 VAL HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 472, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 29 MET HN 32 HIS HD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 501, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 29 MET QE 32 HIS HB2 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 447, 448, 449,
 &end
#
# 29 MET QE 32 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 447, 448, 449,
 &end
#
# 29 MET QE 32 HIS HD2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 447, 448, 449,
 &end
#
# 29 MET QG 29 MET QE 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 443, 444,
 igr2= 447, 448, 449,
 &end
#
# 29 MET QG 30 LEU HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 443, 444,
 &end
#
# 29 MET QG 32 HIS HD2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 443, 444,
 &end
#
# 30 LEU HA 30 LEU HG 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 460, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30 LEU HA 30 LEU QD1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 462, 463, 464,
 &end
#
# 30 LEU HA 30 LEU QD2 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 466, 467, 468,
 &end
#
# 30 LEU HA 32 HIS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 30 LEU HA 33 GLY HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 30 LEU HB2 30 LEU QD1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 462, 463, 464,
 &end
#
# 30 LEU HB2 31 VAL HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 30 LEU HB3 30 LEU QD1 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 462, 463, 464,
 &end
#
# 30 LEU HB3 30 LEU QD2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 466, 467, 468,
 &end
#
# 30 LEU HB3 31 VAL HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 30 LEU HN 30 LEU HB2 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 457, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 30 LEU HN 30 LEU HB3 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 30 LEU HN 30 LEU HG 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 30 LEU HN 30 LEU QD1 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 462, 463, 464,
 &end
#
# 30 LEU HN 30 LEU QD2 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 466, 467, 468,
 &end
#
# 30 LEU HN 31 VAL HN 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 30 LEU HN 31 VAL QG1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 478, 479, 480,
 &end
#
# 30 LEU HN 31 VAL QG2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 482, 483, 484,
 &end
#
# 30 LEU HN 32 HIS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 488, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 31 VAL HA 31 VAL HB 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 31 VAL HA 31 VAL QG1 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 478, 479, 480,
 &end
#
# 31 VAL HA 31 VAL QG2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 482, 483, 484,
 &end
#
# 31 VAL HB 32 HIS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 488, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 31 VAL HN 31 VAL HB 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 31 VAL HN 31 VAL QG1 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 478, 479, 480,
 &end
#
# 31 VAL HN 31 VAL QG2 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 482, 483, 484,
 &end
#
# 31 VAL HN 32 HIS HN 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 31 VAL QG1 32 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 478, 479, 480,
 &end
#
# 31 VAL QG1 32 HIS HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 478, 479, 480,
 &end
#
# 31 VAL QG2 32 HIS HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 482, 483, 484,
 &end
#
# 31 VAL QG2 32 HIS HD2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 482, 483, 484,
 &end
#
# 31 VAL QG2 32 HIS HE1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 482, 483, 484,
 &end
#
# 31 VAL QG2 32 HIS HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 482, 483, 484,
 &end
#
# 32 HIS HB2 32 HIS HD2 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 HIS HB2 33 GLY HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 505, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 32 HIS HB3 32 HIS HD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 32 HIS HB3 33 GLY HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 505, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 32 HIS HD2 33 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 HIS HN 32 HIS HB2 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 32 HIS HN 32 HIS HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 32 HIS HN 32 HIS HD2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 501, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 32 HIS HN 33 GLY HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 505, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 33 GLY HN 34 ASP HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 512, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 33 GLY QA 34 ASP HN 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 507, 508,
 &end
#
# 33 GLY QA 35 LYS HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 507, 508,
 &end
#
# 34 ASP HA 35 LYS HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 34 ASP HN 34 ASP QB 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 516, 517,
 &end
#
# 34 ASP HN 35 LYS HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 524, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 34 ASP QB 35 LYS HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 516, 517,
 &end
#
# 34 ASP QB 36 TRP HN 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 516, 517,
 &end
#
# 35 LYS HA 35 LYS QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 534, 535,
 &end
#
# 35 LYS HA 35 LYS QG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 531, 532,
 &end
#
# 35 LYS HA 36 TRP HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 546, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 35 LYS HB2 36 TRP HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 546, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 35 LYS HB3 36 TRP HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 546, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 35 LYS HN 35 LYS HB2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 35 LYS HN 35 LYS HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 35 LYS HN 35 LYS QB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 528, 529,
 &end
#
# 35 LYS HN 35 LYS QD 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 534, 535,
 &end
#
# 35 LYS HN 35 LYS QG 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 531, 532,
 &end
#
# 35 LYS HN 36 TRP HD1 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 554, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 35 LYS HN 36 TRP HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 35 LYS QB 36 TRP HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 528, 529,
 &end
#
# 35 LYS QD 36 TRP HN 5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 534, 535,
 &end
#
# 35 LYS QG 36 TRP HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 531, 532,
 &end
#
# 36 TRP HA 36 TRP HD1 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 554, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 36 TRP HA 36 TRP HE3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 565, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 36 TRP HN 36 TRP HB2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 36 TRP HN 36 TRP HB3 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 36 TRP HN 36 TRP HD1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 36 TRP HN 36 TRP QB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 550, 551,
 &end
#
# 36 TRP QB 36 TRP HE3 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 550, 551,
 &end
# 570 atoms read from pdb file leap.pdb.
# 18 LYS PHI:  (17 ARG C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -147.0 -87.0
 &rst     iat =   232,   234,   236,   254,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 PHE N) 116.0 176.0
 &rst     iat =   234,   236,   254,   256,
   r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
 &end
# 19 PHE PHI:  (18 LYS C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -163.0 -103.0
 &rst     iat =   254,   256,   258,   274,
   r1 = -164.0, r2 = -163.0, r3 = -103.0, r4 = -102.0,
 &end
# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 LYS N) 123.0 183.0
 &rst     iat =   256,   258,   274,   276,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 22 GLU PHI:  (21 ASN C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -88.0 -28.0
 &rst     iat =   310,   312,   314,   325,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end
# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 LEU N) -70.0 -10.0
 &rst     iat =   312,   314,   325,   327,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 23 LEU PHI:  (22 GLU C)-(23 LEU N)-(23 LEU CA)-(23 LEU C) -92.0 -32.0
 &rst     iat =   325,   327,   329,   344,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 23 LEU PSI:  (23 LEU N)-(23 LEU CA)-(23 LEU C)-(24 ASP N) -69.0  -9.0
 &rst     iat =   327,   329,   344,   346,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 24 ASP PHI:  (23 LEU C)-(24 ASP N)-(24 ASP CA)-(24 ASP C) -97.0 -37.0
 &rst     iat =   344,   346,   348,   356,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 24 ASP PSI:  (24 ASP N)-(24 ASP CA)-(24 ASP C)-(25 ARG N) -68.0  -8.0
 &rst     iat =   346,   348,   356,   358,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 25 ARG PHI:  (24 ASP C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -94.0 -34.0
 &rst     iat =   356,   358,   360,   380,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 ASP N) -72.0 -12.0
 &rst     iat =   358,   360,   380,   382,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 26 ASP PHI:  (25 ARG C)-(26 ASP N)-(26 ASP CA)-(26 ASP C) -91.0 -31.0
 &rst     iat =   380,   382,   384,   392,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 26 ASP PSI:  (26 ASP N)-(26 ASP CA)-(26 ASP C)-(27 ARG N) -70.0 -10.0
 &rst     iat =   382,   384,   392,   394,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 27 ARG PHI:  (26 ASP C)-(27 ARG N)-(27 ARG CA)-(27 ARG C) -96.0 -36.0
 &rst     iat =   392,   394,   396,   416,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 27 ARG PSI:  (27 ARG N)-(27 ARG CA)-(27 ARG C)-(28 HID N) -66.0  -6.0
 &rst     iat =   394,   396,   416,   418,
   r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
 &end
# 28 HIS PHI:  (27 ARG C)-(28 HID N)-(28 HID CA)-(28 HID C) -93.0 -33.0
 &rst     iat =   416,   418,   420,   433,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 MET N) -74.0 -14.0
 &rst     iat =   418,   420,   433,   435,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 29 MET PHI:  (28 HID C)-(29 MET N)-(29 MET CA)-(29 MET C) -93.0 -33.0
 &rst     iat =   433,   435,   437,   450,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 29 MET PSI:  (29 MET N)-(29 MET CA)-(29 MET C)-(30 LEU N) -69.0  -9.0
 &rst     iat =   435,   437,   450,   452,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 30 LEU PHI:  (29 MET C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -91.0 -31.0
 &rst     iat =   450,   452,   454,   469,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 VAL N) -68.0  -8.0
 &rst     iat =   452,   454,   469,   471,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 192, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 430, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 499, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 570, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 570, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  15 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 430, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 499, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 570, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 570, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   32 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 499, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 570, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  32 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 570, 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  15.352  23.745  -5.605
    2    H2   GLY   1           2H       GLY   1  14.322  24.588  -6.559
    3    H3   GLY   1           3H       GLY   1  15.556  23.744  -7.230
    4    HA2  GLY   1           1HA      GLY   1  13.264  22.565  -5.797
    5    HA3  GLY   1           2HA      GLY   1  13.475  22.577  -7.558
    6    H    SER   2           H        SER   2  13.547  20.509  -5.149
    7    HA   SER   2           HA       SER   2  15.812  18.856  -6.182
    8    HB2  SER   2           1HB      SER   2  15.195  19.371  -3.246
    9    HB3  SER   2           2HB      SER   2  16.412  18.247  -3.877
   10    HG   SER   2           HG       SER   2  17.318  20.275  -3.274
   11    H    SER   3           H        SER   3  15.621  16.600  -5.789
   12    HA   SER   3           HA       SER   3  13.132  15.506  -4.662
   13    HB2  SER   3           1HB      SER   3  12.679  15.970  -7.107
   14    HB3  SER   3           2HB      SER   3  13.954  14.802  -7.503
   15    HG   SER   3           HG       SER   3  11.836  13.864  -7.449
   16    H    GLY   4           H        GLY   4  13.256  13.226  -4.250
   17    HA2  GLY   4           1HA      GLY   4  15.897  12.365  -3.361
   18    HA3  GLY   4           2HA      GLY   4  14.376  11.510  -3.139
   19    H    SER   5           H        SER   5  16.913  10.365  -3.832
   20    HA   SER   5           HA       SER   5  16.984   9.614  -6.624
   21    HB2  SER   5           1HB      SER   5  18.313   8.281  -4.237
   22    HB3  SER   5           2HB      SER   5  18.769   8.100  -5.938
   23    HG   SER   5           HG       SER   5  19.334  10.307  -5.978
   24    H    SER   6           H        SER   6  15.063   8.449  -4.034
   25    HA   SER   6           HA       SER   6  13.974   6.237  -5.648
   26    HB2  SER   6           1HB      SER   6  14.162   4.624  -3.802
   27    HB3  SER   6           2HB      SER   6  15.753   5.148  -4.365
   28    HG   SER   6           HG       SER   6  15.618   5.138  -2.074
   29    H    GLY   7           H        GLY   7  11.992   5.279  -4.525
   30    HA2  GLY   7           1HA      GLY   7  10.611   6.825  -2.501
   31    HA3  GLY   7           2HA      GLY   7  10.006   7.183  -4.123
   32    H    LEU   8           H        LEU   8   8.245   6.309  -2.446
   33    HA   LEU   8           HA       LEU   8   7.811   3.399  -2.701
   34    HB2  LEU   8           1HB      LEU   8   6.081   5.600  -1.512
   35    HB3  LEU   8           2HB      LEU   8   5.732   3.871  -1.455
   36    HG   LEU   8           HG       LEU   8   8.211   5.136  -0.196
   37   HD11  LEU   8          1HD1      LEU   8   6.155   5.953   0.889
   38   HD12  LEU   8          2HD1      LEU   8   7.084   4.880   1.946
   39   HD13  LEU   8          3HD1      LEU   8   5.623   4.275   1.142
   40   HD21  LEU   8          3HD2      LEU   8   8.366   3.007   1.031
   41   HD22  LEU   8          1HD2      LEU   8   8.458   2.721  -0.709
   42   HD23  LEU   8          2HD2      LEU   8   6.947   2.386   0.166
   43    H    LEU   9           H        LEU   9   6.522   2.462  -4.112
   44    HA   LEU   9           HA       LEU   9   5.767   4.080  -6.491
   45    HB2  LEU   9           1HB      LEU   9   6.395   1.136  -6.087
   46    HB3  LEU   9           2HB      LEU   9   5.935   1.846  -7.625
   47    HG   LEU   9           HG       LEU   9   8.446   2.507  -6.015
   48   HD11  LEU   9          1HD1      LEU   9   8.074   1.013  -8.644
   49   HD12  LEU   9          2HD1      LEU   9   8.468   0.280  -7.074
   50   HD13  LEU   9          3HD1      LEU   9   9.623   1.375  -7.848
   51   HD21  LEU   9          3HD2      LEU   9   9.173   3.733  -8.062
   52   HD22  LEU   9          1HD2      LEU   9   7.786   4.494  -7.285
   53   HD23  LEU   9          2HD2      LEU   9   7.548   3.515  -8.752
   54    H    TYR  10           H        TYR  10   4.243   1.926  -4.173
   55    HA   TYR  10           HA       TYR  10   1.693   1.984  -5.757
   56    HB2  TYR  10           1HB      TYR  10   2.690  -0.165  -3.855
   57    HB3  TYR  10           2HB      TYR  10   1.175  -0.177  -4.727
   58    HD1  TYR  10           1HD      TYR  10   4.858  -0.430  -5.093
   59    HD2  TYR  10           2HD      TYR  10   1.052  -0.682  -7.107
   60    HE1  TYR  10           1HE      TYR  10   5.990  -1.357  -7.112
   61    HE2  TYR  10           2HE      TYR  10   2.176  -1.650  -9.107
   62    HH   TYR  10           HH       TYR  10   5.725  -2.158  -9.246
   63    H    ASP  11           H        ASP  11  -0.258   2.346  -4.703
   64    HA   ASP  11           HA       ASP  11  -0.076   3.394  -1.915
   65    HB2  ASP  11           1HB      ASP  11  -1.273   5.328  -2.524
   66    HB3  ASP  11           2HB      ASP  11   0.078   5.177  -3.638
   67    H    CYS  12           H        CYS  12  -1.697   3.148  -0.561
   68    HA   CYS  12           HA       CYS  12  -3.941   1.360  -1.110
   69    HB2  CYS  12           1HB      CYS  12  -2.762   1.314   1.007
   70    HB3  CYS  12           2HB      CYS  12  -3.066   3.042   1.263
   71    H    HIS  13           H        HIS  13  -5.953   1.939  -1.680
   72    HA   HIS  13           HA       HIS  13  -6.623   4.802  -2.009
   73    HB2  HIS  13           1HB      HIS  13  -8.441   4.066  -3.413
   74    HB3  HIS  13           2HB      HIS  13  -6.901   3.410  -3.940
   75    HD1  HIS  13           1HD      HIS  13  -6.836   0.807  -4.268
   76    HD2  HIS  13           2HD      HIS  13 -10.163   2.260  -2.143
   77    HE1  HIS  13           1HE      HIS  13  -8.433  -1.164  -4.005
   78    H    ILE  14           H        ILE  14  -6.858   2.820   0.569
   79    HA   ILE  14           HA       ILE  14  -9.542   3.825   1.453
   80    HB   ILE  14           HB       ILE  14  -7.810   1.761   2.783
   81   HG12  ILE  14          1HG1      ILE  14  -8.440   0.882   0.587
   82   HG13  ILE  14          2HG1      ILE  14  -9.204   0.020   1.900
   83   HG21  ILE  14          1HG2      ILE  14  -9.348   2.728   4.356
   84   HG22  ILE  14          2HG2      ILE  14 -10.697   2.613   3.210
   85   HG23  ILE  14          3HG2      ILE  14  -9.984   1.146   3.910
   86   HD11  ILE  14          3HD1      ILE  14 -10.699   0.339   0.008
   87   HD12  ILE  14          1HD1      ILE  14 -11.334   1.101   1.476
   88   HD13  ILE  14          2HD1      ILE  14 -10.593   2.106   0.200
   89    H    CYS  15           H        CYS  15  -6.110   3.684   2.431
   90    HA   CYS  15           HA       CYS  15  -6.579   5.840   4.431
   91    HB2  CYS  15           1HB      CYS  15  -5.362   4.737   6.083
   92    HB3  CYS  15           2HB      CYS  15  -6.643   3.670   5.512
   93    H    GLU  16           H        GLU  16  -4.938   5.186   1.722
   94    HA   GLU  16           HA       GLU  16  -3.358   6.284   0.592
   95    HB2  GLU  16           1HB      GLU  16  -4.660   8.131   2.020
   96    HB3  GLU  16           2HB      GLU  16  -3.044   8.407   2.665
   97    HG2  GLU  16           1HG      GLU  16  -2.223   8.620   0.256
   98    HG3  GLU  16           2HG      GLU  16  -3.897   8.446  -0.267
   99    H    ARG  17           H        ARG  17  -2.423   4.562   3.147
  100    HA   ARG  17           HA       ARG  17   0.367   5.271   3.332
  101    HB2  ARG  17           1HB      ARG  17  -1.295   3.330   4.560
  102    HB3  ARG  17           2HB      ARG  17  -0.185   2.377   3.590
  103    HG2  ARG  17           1HG      ARG  17   1.543   4.214   4.796
  104    HG3  ARG  17           2HG      ARG  17   0.282   4.043   6.009
  105    HD2  ARG  17           1HD      ARG  17   1.822   2.434   6.621
  106    HD3  ARG  17           2HD      ARG  17   0.642   1.468   5.723
  107    HE   ARG  17           HE       ARG  17   2.354   1.992   3.726
  108   HH11  ARG  17          2HH1      ARG  17   3.180   0.935   6.963
  109   HH12  ARG  17          1HH1      ARG  17   4.754   0.379   6.462
  110   HH21  ARG  17          2HH2      ARG  17   4.368   1.396   3.192
  111   HH22  ARG  17          1HH2      ARG  17   5.402   0.602   4.362
  112    H    LYS  18           H        LYS  18   2.180   4.275   2.364
  113    HA   LYS  18           HA       LYS  18   1.675   3.170  -0.364
  114    HB2  LYS  18           1HB      LYS  18   3.468   5.468   0.468
  115    HB3  LYS  18           2HB      LYS  18   3.600   4.643  -1.091
  116    HG2  LYS  18           1HG      LYS  18   1.475   5.272  -1.819
  117    HG3  LYS  18           2HG      LYS  18   0.947   5.831  -0.237
  118    HD2  LYS  18           1HD      LYS  18   3.210   7.117  -1.808
  119    HD3  LYS  18           2HD      LYS  18   1.534   7.651  -1.918
  120    HE2  LYS  18           1HE      LYS  18   3.055   7.498   0.720
  121    HE3  LYS  18           2HE      LYS  18   3.061   8.933  -0.307
  122    HZ1  LYS  18           3HZ      LYS  18   0.593   7.734   0.873
  123    HZ2  LYS  18           1HZ      LYS  18   0.650   9.065  -0.076
  124    HZ3  LYS  18           2HZ      LYS  18   1.342   9.086   1.397
  125    H    PHE  19           H        PHE  19   3.367   2.094  -1.378
  126    HA   PHE  19           HA       PHE  19   5.253   0.642   0.446
  127    HB2  PHE  19           1HB      PHE  19   3.248  -0.606  -1.455
  128    HB3  PHE  19           2HB      PHE  19   4.365  -1.459  -0.413
  129    HD1  PHE  19           1HD      PHE  19   4.015  -1.645   2.015
  130    HD2  PHE  19           2HD      PHE  19   1.216   0.463  -0.495
  131    HE1  PHE  19           1HE      PHE  19   2.399  -1.548   3.897
  132    HE2  PHE  19           2HE      PHE  19  -0.370   0.630   1.418
  133    HZ   PHE  19           HZ       PHE  19   0.231  -0.372   3.615
  134    H    LYS  20           H        LYS  20   6.774  -0.763  -0.594
  135    HA   LYS  20           HA       LYS  20   8.031   0.443  -2.929
  136    HB2  LYS  20           1HB      LYS  20   8.756  -2.033  -1.296
  137    HB3  LYS  20           2HB      LYS  20   9.759  -1.309  -2.558
  138    HG2  LYS  20           1HG      LYS  20   9.898   0.799  -1.246
  139    HG3  LYS  20           2HG      LYS  20   8.900   0.069   0.020
  140    HD2  LYS  20           1HD      LYS  20  11.190  -0.024   0.719
  141    HD3  LYS  20           2HD      LYS  20  10.638  -1.672   0.386
  142    HE2  LYS  20           1HE      LYS  20  11.765  -1.603  -1.830
  143    HE3  LYS  20           2HE      LYS  20  12.269   0.065  -1.528
  144    HZ1  LYS  20           3HZ      LYS  20  13.111  -2.287   0.085
  145    HZ2  LYS  20           1HZ      LYS  20  13.582  -0.747   0.360
  146    HZ3  LYS  20           2HZ      LYS  20  14.043  -1.510  -1.005
  147    H    ASN  21           H        ASN  21   6.237  -2.551  -2.365
  148    HA   ASN  21           HA       ASN  21   6.356  -3.154  -5.297
  149    HB2  ASN  21           1HB      ASN  21   6.060  -5.166  -3.034
  150    HB3  ASN  21           2HB      ASN  21   6.147  -5.522  -4.751
  151   HD21  ASN  21          1HD2      ASN  21   7.942  -4.729  -1.894
  152   HD22  ASN  21          2HD2      ASN  21   9.516  -5.101  -2.598
  153    H    GLU  22           H        GLU  22   4.532  -4.157  -6.209
  154    HA   GLU  22           HA       GLU  22   1.956  -3.175  -5.437
  155    HB2  GLU  22           1HB      GLU  22   2.786  -4.002  -7.748
  156    HB3  GLU  22           2HB      GLU  22   2.516  -5.634  -7.150
  157    HG2  GLU  22           1HG      GLU  22   0.128  -5.102  -6.769
  158    HG3  GLU  22           2HG      GLU  22   0.403  -3.432  -7.260
  159    H    LEU  23           H        LEU  23   3.631  -6.251  -4.874
  160    HA   LEU  23           HA       LEU  23   1.591  -7.723  -3.586
  161    HB2  LEU  23           1HB      LEU  23   3.630  -8.748  -4.383
  162    HB3  LEU  23           2HB      LEU  23   4.624  -7.724  -3.344
  163    HG   LEU  23           HG       LEU  23   3.706  -8.836  -1.334
  164   HD11  LEU  23          1HD1      LEU  23   1.510  -9.581  -2.137
  165   HD12  LEU  23          2HD1      LEU  23   2.451 -10.962  -1.572
  166   HD13  LEU  23          3HD1      LEU  23   2.286 -10.664  -3.317
  167   HD21  LEU  23          3HD2      LEU  23   4.852 -10.748  -3.404
  168   HD22  LEU  23          1HD2      LEU  23   4.886 -10.964  -1.639
  169   HD23  LEU  23          2HD2      LEU  23   5.784  -9.628  -2.381
  170    H    ASP  24           H        ASP  24   4.121  -5.620  -2.071
  171    HA   ASP  24           HA       ASP  24   3.322  -6.021   0.616
  172    HB2  ASP  24           1HB      ASP  24   4.561  -3.594  -0.707
  173    HB3  ASP  24           2HB      ASP  24   4.470  -3.838   1.040
  174    H    ARG  25           H        ARG  25   2.091  -3.727  -1.751
  175    HA   ARG  25           HA       ARG  25   0.271  -2.375   0.110
  176    HB2  ARG  25           1HB      ARG  25   1.348  -1.350  -1.919
  177    HB3  ARG  25           2HB      ARG  25   0.388  -2.337  -2.940
  178    HG2  ARG  25           1HG      ARG  25  -0.812  -0.387  -0.891
  179    HG3  ARG  25           2HG      ARG  25  -0.336   0.097  -2.518
  180    HD2  ARG  25           1HD      ARG  25  -2.533  -1.811  -1.720
  181    HD3  ARG  25           2HD      ARG  25  -2.684  -0.249  -2.501
  182    HE   ARG  25           HE       ARG  25  -1.396  -2.654  -3.709
  183   HH11  ARG  25          2HH1      ARG  25  -2.857   0.462  -4.382
  184   HH12  ARG  25          1HH1      ARG  25  -3.230   0.014  -6.028
  185   HH21  ARG  25          2HH2      ARG  25  -2.185  -3.257  -5.634
  186   HH22  ARG  25          1HH2      ARG  25  -2.751  -2.047  -6.780
  187    H    ASP  26           H        ASP  26  -0.075  -4.874  -2.422
  188    HA   ASP  26           HA       ASP  26  -2.879  -5.111  -2.292
  189    HB2  ASP  26           1HB      ASP  26  -0.646  -6.945  -3.184
  190    HB3  ASP  26           2HB      ASP  26  -2.284  -7.549  -3.086
  191    H    ARG  27           H        ARG  27  -0.397  -6.915  -0.357
  192    HA   ARG  27           HA       ARG  27  -2.480  -8.324   1.131
  193    HB2  ARG  27           1HB      ARG  27  -0.806  -9.149   2.576
  194    HB3  ARG  27           2HB      ARG  27  -0.297  -9.343   0.901
  195    HG2  ARG  27           1HG      ARG  27   1.356  -7.654   1.081
  196    HG3  ARG  27           2HG      ARG  27   0.663  -6.963   2.533
  197    HD2  ARG  27           1HD      ARG  27   1.193  -9.138   3.739
  198    HD3  ARG  27           2HD      ARG  27   2.057  -9.676   2.299
  199    HE   ARG  27           HE       ARG  27   2.894  -7.675   4.283
  200   HH11  ARG  27          2HH1      ARG  27   3.627  -8.886   1.051
  201   HH12  ARG  27          1HH1      ARG  27   5.021  -7.803   0.941
  202   HH21  ARG  27          2HH2      ARG  27   4.803  -6.489   4.012
  203   HH22  ARG  27          1HH2      ARG  27   5.620  -6.607   2.455
  204    H    HIS  28           H        HIS  28  -1.079  -5.155   1.535
  205    HA   HIS  28           HA       HIS  28  -2.114  -4.753   4.237
  206    HB2  HIS  28           1HB      HIS  28  -0.381  -3.297   3.602
  207    HB3  HIS  28           2HB      HIS  28  -1.101  -2.919   2.050
  208    HD1  HIS  28           1HD      HIS  28  -1.501  -1.990   5.746
  209    HD2  HIS  28           2HD      HIS  28  -2.993  -1.059   1.925
  210    HE1  HIS  28           1HE      HIS  28  -2.906   0.100   6.045
  211    H    MET  29           H        MET  29  -3.591  -4.328   0.946
  212    HA   MET  29           HA       MET  29  -5.930  -3.054   1.841
  213    HB2  MET  29           1HB      MET  29  -5.859  -5.155  -0.352
  214    HB3  MET  29           2HB      MET  29  -7.025  -3.856  -0.151
  215    HG2  MET  29           1HG      MET  29  -4.130  -3.650  -0.966
  216    HG3  MET  29           2HG      MET  29  -5.541  -3.234  -1.911
  217    HE1  MET  29           3HE      MET  29  -6.913  -1.123  -1.717
  218    HE2  MET  29           1HE      MET  29  -7.336  -1.379  -0.010
  219    HE3  MET  29           2HE      MET  29  -6.663   0.182  -0.537
  220    H    LEU  30           H        LEU  30  -5.026  -6.373   2.418
  221    HA   LEU  30           HA       LEU  30  -7.584  -7.500   3.011
  222    HB2  LEU  30           1HB      LEU  30  -4.896  -8.125   4.290
  223    HB3  LEU  30           2HB      LEU  30  -6.310  -9.158   4.286
  224    HG   LEU  30           HG       LEU  30  -4.704  -8.375   1.810
  225   HD11  LEU  30          1HD1      LEU  30  -3.495  -9.895   3.333
  226   HD12  LEU  30          2HD1      LEU  30  -3.953 -10.707   1.827
  227   HD13  LEU  30          3HD1      LEU  30  -4.875 -11.015   3.317
  228   HD21  LEU  30          3HD2      LEU  30  -5.999 -10.136   0.667
  229   HD22  LEU  30          1HD2      LEU  30  -7.036  -8.810   1.201
  230   HD23  LEU  30          2HD2      LEU  30  -7.011 -10.337   2.117
  231    H    VAL  31           H        VAL  31  -5.538  -5.309   4.937
  232    HA   VAL  31           HA       VAL  31  -6.883  -5.813   7.446
  233    HB   VAL  31           HB       VAL  31  -5.753  -4.056   8.381
  234   HG11  VAL  31          1HG1      VAL  31  -3.455  -4.251   7.784
  235   HG12  VAL  31          2HG1      VAL  31  -4.239  -5.832   7.614
  236   HG13  VAL  31          3HG1      VAL  31  -3.855  -4.865   6.174
  237   HG21  VAL  31          3HG2      VAL  31  -4.566  -2.231   7.117
  238   HG22  VAL  31          1HG2      VAL  31  -5.521  -2.696   5.695
  239   HG23  VAL  31          2HG2      VAL  31  -6.324  -2.133   7.164
  240    H    HIS  32           H        HIS  32  -7.692  -3.902   4.675
  241    HA   HIS  32           HA       HIS  32  -9.971  -2.546   5.994
  242    HB2  HIS  32           1HB      HIS  32  -9.088  -2.472   3.088
  243    HB3  HIS  32           2HB      HIS  32 -10.208  -1.380   3.896
  244    HD1  HIS  32           1HD      HIS  32  -8.655  -0.334   6.328
  245    HD2  HIS  32           2HD      HIS  32  -6.942  -1.134   2.572
  246    HE1  HIS  32           1HE      HIS  32  -6.530   1.051   6.237
  247    H    GLY  33           H        GLY  33  -9.338  -5.056   3.518
  248    HA2  GLY  33           1HA      GLY  33 -12.007  -5.706   2.825
  249    HA3  GLY  33           2HA      GLY  33 -10.606  -6.777   2.707
  250    H    ASP  34           H        ASP  34 -10.240  -6.555   5.748
  251    HA   ASP  34           HA       ASP  34 -11.796  -8.721   6.700
  252    HB2  ASP  34           1HB      ASP  34  -9.646  -7.903   7.642
  253    HB3  ASP  34           2HB      ASP  34 -10.459  -6.453   8.228
  254    H    LYS  35           H        LYS  35 -12.672  -5.336   6.440
  255    HA   LYS  35           HA       LYS  35 -15.029  -5.596   8.185
  256    HB2  LYS  35           1HB      LYS  35 -13.562  -3.535   8.093
  257    HB3  LYS  35           2HB      LYS  35 -14.148  -3.246   6.461
  258    HG2  LYS  35           1HG      LYS  35 -15.325  -1.843   8.043
  259    HG3  LYS  35           2HG      LYS  35 -16.465  -2.991   7.344
  260    HD2  LYS  35           1HD      LYS  35 -16.368  -4.374   9.402
  261    HD3  LYS  35           2HD      LYS  35 -15.100  -3.327  10.050
  262    HE2  LYS  35           1HE      LYS  35 -17.154  -2.715  11.113
  263    HE3  LYS  35           2HE      LYS  35 -16.699  -1.404  10.023
  264    HZ1  LYS  35           3HZ      LYS  35 -18.725  -3.502   9.419
  265    HZ2  LYS  35           1HZ      LYS  35 -18.331  -2.265   8.422
  266    HZ3  LYS  35           2HZ      LYS  35 -19.064  -1.966   9.847
  267    H    TRP  36           H        TRP  36 -15.502  -7.505   6.684
  268    HA   TRP  36           HA       TRP  36 -16.850  -6.935   4.160
  269    HB2  TRP  36           1HB      TRP  36 -17.351  -9.295   4.112
  270    HB3  TRP  36           2HB      TRP  36 -15.657  -9.012   4.450
  271    HD1  TRP  36           1HD      TRP  36 -14.693  -9.871   6.722
  272    HE1  TRP  36           1HE      TRP  36 -15.546 -11.465   8.543
  273    HE3  TRP  36           3HE      TRP  36 -19.634 -10.075   5.370
  274    HZ2  TRP  36           2HZ      TRP  36 -18.043 -12.695   9.300
  275    HZ3  TRP  36           3HZ      TRP  36 -21.224 -11.490   6.651
  276    HH2  TRP  36           2HH      TRP  36 -20.444 -12.799   8.616
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  21.534  15.278   5.984
    2    H2   GLY   1           2H       GLY   1  21.265  14.679   7.487
    3    H3   GLY   1           3H       GLY   1  20.026  15.320   6.628
    4    HA2  GLY   1           1HA      GLY   1  20.188  13.572   4.973
    5    HA3  GLY   1           2HA      GLY   1  21.508  12.871   5.925
    6    H    SER   2           H        SER   2  20.472  10.936   6.365
    7    HA   SER   2           HA       SER   2  19.108   9.426   7.355
    8    HB2  SER   2           1HB      SER   2  19.114  11.477   9.585
    9    HB3  SER   2           2HB      SER   2  18.818   9.736   9.747
   10    HG   SER   2           HG       SER   2  20.997  10.290  10.217
   11    H    SER   3           H        SER   3  17.562  11.021   5.601
   12    HA   SER   3           HA       SER   3  14.842  10.927   6.846
   13    HB2  SER   3           1HB      SER   3  15.936  13.157   5.086
   14    HB3  SER   3           2HB      SER   3  14.270  13.008   5.666
   15    HG   SER   3           HG       SER   3  16.625  13.383   7.230
   16    H    GLY   4           H        GLY   4  13.106  10.574   5.418
   17    HA2  GLY   4           1HA      GLY   4  11.992   9.784   3.548
   18    HA3  GLY   4           2HA      GLY   4  13.401  10.175   2.571
   19    H    SER   5           H        SER   5  12.854   8.220   1.417
   20    HA   SER   5           HA       SER   5  14.213   5.811   2.466
   21    HB2  SER   5           1HB      SER   5  12.395   4.331   1.897
   22    HB3  SER   5           2HB      SER   5  11.801   5.549   3.032
   23    HG   SER   5           HG       SER   5  10.334   5.301   1.337
   24    H    SER   6           H        SER   6  14.409   4.103   0.671
   25    HA   SER   6           HA       SER   6  15.603   5.392  -1.626
   26    HB2  SER   6           1HB      SER   6  16.263   3.084  -2.247
   27    HB3  SER   6           2HB      SER   6  16.731   3.571  -0.613
   28    HG   SER   6           HG       SER   6  15.895   1.524  -0.523
   29    H    GLY   7           H        GLY   7  12.384   4.374  -1.152
   30    HA2  GLY   7           1HA      GLY   7  11.397   5.468  -3.402
   31    HA3  GLY   7           2HA      GLY   7  11.782   3.857  -4.004
   32    H    LEU   8           H        LEU   8   9.257   5.283  -3.730
   33    HA   LEU   8           HA       LEU   8   7.679   3.036  -2.633
   34    HB2  LEU   8           1HB      LEU   8   7.119   5.993  -2.139
   35    HB3  LEU   8           2HB      LEU   8   5.955   4.705  -1.849
   36    HG   LEU   8           HG       LEU   8   8.647   4.918  -0.425
   37   HD11  LEU   8          1HD1      LEU   8   7.175   6.797   0.153
   38   HD12  LEU   8          2HD1      LEU   8   7.360   5.678   1.511
   39   HD13  LEU   8          3HD1      LEU   8   5.866   5.660   0.550
   40   HD21  LEU   8          3HD2      LEU   8   7.655   3.281   1.138
   41   HD22  LEU   8          1HD2      LEU   8   7.739   2.614  -0.496
   42   HD23  LEU   8          2HD2      LEU   8   6.188   3.202   0.137
   43    H    LEU   9           H        LEU   9   6.099   2.423  -3.976
   44    HA   LEU   9           HA       LEU   9   5.728   3.955  -6.544
   45    HB2  LEU   9           1HB      LEU   9   6.381   1.029  -6.056
   46    HB3  LEU   9           2HB      LEU   9   5.825   1.643  -7.605
   47    HG   LEU   9           HG       LEU   9   8.400   2.484  -6.197
   48   HD11  LEU   9          1HD1      LEU   9   9.512   1.193  -7.970
   49   HD12  LEU   9          2HD1      LEU   9   7.933   0.705  -8.627
   50   HD13  LEU   9          3HD1      LEU   9   8.441   0.158  -7.014
   51   HD21  LEU   9          3HD2      LEU   9   8.981   3.503  -8.395
   52   HD22  LEU   9          1HD2      LEU   9   7.598   4.301  -7.648
   53   HD23  LEU   9          2HD2      LEU   9   7.338   3.152  -8.982
   54    H    TYR  10           H        TYR  10   4.151   1.915  -4.158
   55    HA   TYR  10           HA       TYR  10   1.615   1.985  -5.759
   56    HB2  TYR  10           1HB      TYR  10   2.607  -0.191  -3.884
   57    HB3  TYR  10           2HB      TYR  10   1.092  -0.192  -4.762
   58    HD1  TYR  10           1HD      TYR  10   4.764  -0.497  -5.077
   59    HD2  TYR  10           2HD      TYR  10   1.001  -0.616  -7.184
   60    HE1  TYR  10           1HE      TYR  10   5.924  -1.379  -7.099
   61    HE2  TYR  10           2HE      TYR  10   2.155  -1.546  -9.185
   62    HH   TYR  10           HH       TYR  10   5.697  -2.107  -9.264
   63    H    ASP  11           H        ASP  11  -0.327   2.390  -4.686
   64    HA   ASP  11           HA       ASP  11  -0.098   3.381  -1.884
   65    HB2  ASP  11           1HB      ASP  11  -1.251   5.367  -2.444
   66    HB3  ASP  11           2HB      ASP  11   0.121   5.210  -3.530
   67    H    CYS  12           H        CYS  12  -1.772   3.296  -0.557
   68    HA   CYS  12           HA       CYS  12  -4.024   1.491  -1.089
   69    HB2  CYS  12           1HB      CYS  12  -2.814   1.415   1.019
   70    HB3  CYS  12           2HB      CYS  12  -3.145   3.136   1.308
   71    H    HIS  13           H        HIS  13  -6.034   2.095  -1.607
   72    HA   HIS  13           HA       HIS  13  -6.705   4.970  -1.867
   73    HB2  HIS  13           1HB      HIS  13  -8.542   4.243  -3.275
   74    HB3  HIS  13           2HB      HIS  13  -6.989   3.657  -3.843
   75    HD1  HIS  13           1HD      HIS  13  -6.785   1.048  -4.172
   76    HD2  HIS  13           2HD      HIS  13 -10.232   2.352  -2.143
   77    HE1  HIS  13           1HE      HIS  13  -8.315  -0.983  -3.983
   78    H    ILE  14           H        ILE  14  -6.918   2.889   0.641
   79    HA   ILE  14           HA       ILE  14  -9.609   3.827   1.565
   80    HB   ILE  14           HB       ILE  14  -7.841   1.759   2.833
   81   HG12  ILE  14          1HG1      ILE  14  -8.425   0.923   0.614
   82   HG13  ILE  14          2HG1      ILE  14  -9.199   0.016   1.891
   83   HG21  ILE  14          1HG2      ILE  14  -9.413   2.640   4.422
   84   HG22  ILE  14          2HG2      ILE  14 -10.751   2.525   3.261
   85   HG23  ILE  14          3HG2      ILE  14 -10.005   1.058   3.922
   86   HD11  ILE  14          3HD1      ILE  14 -10.589   2.125   0.218
   87   HD12  ILE  14          1HD1      ILE  14 -10.671   0.362  -0.016
   88   HD13  ILE  14          2HD1      ILE  14 -11.337   1.083   1.458
   89    H    CYS  15           H        CYS  15  -6.163   3.757   2.503
   90    HA   CYS  15           HA       CYS  15  -6.671   5.830   4.576
   91    HB2  CYS  15           1HB      CYS  15  -5.379   4.724   6.173
   92    HB3  CYS  15           2HB      CYS  15  -6.650   3.643   5.612
   93    H    GLU  16           H        GLU  16  -5.123   5.380   1.818
   94    HA   GLU  16           HA       GLU  16  -3.587   6.554   0.697
   95    HB2  GLU  16           1HB      GLU  16  -4.917   8.291   2.239
   96    HB3  GLU  16           2HB      GLU  16  -3.294   8.601   2.851
   97    HG2  GLU  16           1HG      GLU  16  -2.541   8.995   0.466
   98    HG3  GLU  16           2HG      GLU  16  -4.193   8.684  -0.068
   99    H    ARG  17           H        ARG  17  -2.589   4.677   2.976
  100    HA   ARG  17           HA       ARG  17   0.222   5.390   3.292
  101    HB2  ARG  17           1HB      ARG  17  -1.340   2.796   3.609
  102    HB3  ARG  17           2HB      ARG  17   0.412   2.874   3.834
  103    HG2  ARG  17           1HG      ARG  17   0.191   4.552   5.599
  104    HG3  ARG  17           2HG      ARG  17  -1.566   4.598   5.365
  105    HD2  ARG  17           1HD      ARG  17  -1.682   2.179   5.932
  106    HD3  ARG  17           2HD      ARG  17   0.058   2.152   6.183
  107    HE   ARG  17           HE       ARG  17  -0.163   3.192   8.229
  108   HH11  ARG  17          2HH1      ARG  17  -3.367   3.440   6.698
  109   HH12  ARG  17          1HH1      ARG  17  -4.068   3.982   8.192
  110   HH21  ARG  17          2HH2      ARG  17  -1.187   3.905  10.034
  111   HH22  ARG  17          1HH2      ARG  17  -2.892   4.249  10.000
  112    H    LYS  18           H        LYS  18   1.941   4.011   2.481
  113    HA   LYS  18           HA       LYS  18   1.640   3.266  -0.384
  114    HB2  LYS  18           1HB      LYS  18   3.561   5.408   0.586
  115    HB3  LYS  18           2HB      LYS  18   3.561   4.674  -1.029
  116    HG2  LYS  18           1HG      LYS  18   1.210   5.473  -1.352
  117    HG3  LYS  18           2HG      LYS  18   1.335   6.370   0.167
  118    HD2  LYS  18           1HD      LYS  18   3.115   6.772  -2.280
  119    HD3  LYS  18           2HD      LYS  18   1.726   7.774  -1.835
  120    HE2  LYS  18           1HE      LYS  18   2.840   8.343   0.328
  121    HE3  LYS  18           2HE      LYS  18   4.257   7.407  -0.168
  122    HZ1  LYS  18           3HZ      LYS  18   4.508   8.931  -2.062
  123    HZ2  LYS  18           1HZ      LYS  18   4.543   9.765  -0.659
  124    HZ3  LYS  18           2HZ      LYS  18   3.205   9.795  -1.591
  125    H    PHE  19           H        PHE  19   3.192   2.011  -1.307
  126    HA   PHE  19           HA       PHE  19   5.068   0.597   0.544
  127    HB2  PHE  19           1HB      PHE  19   3.145  -0.595  -1.466
  128    HB3  PHE  19           2HB      PHE  19   4.169  -1.493  -0.368
  129    HD1  PHE  19           1HD      PHE  19   3.708  -1.550   2.076
  130    HD2  PHE  19           2HD      PHE  19   1.086   0.529  -0.649
  131    HE1  PHE  19           1HE      PHE  19   2.021  -1.308   3.880
  132    HE2  PHE  19           2HE      PHE  19  -0.587   0.790   1.167
  133    HZ   PHE  19           HZ       PHE  19  -0.105  -0.116   3.434
  134    H    LYS  20           H        LYS  20   6.606  -0.791  -0.460
  135    HA   LYS  20           HA       LYS  20   7.989   0.535  -2.646
  136    HB2  LYS  20           1HB      LYS  20   8.731  -2.036  -1.179
  137    HB3  LYS  20           2HB      LYS  20   9.771  -1.045  -2.195
  138    HG2  LYS  20           1HG      LYS  20   9.195   0.879  -0.478
  139    HG3  LYS  20           2HG      LYS  20   8.629  -0.433   0.550
  140    HD2  LYS  20           1HD      LYS  20  10.830  -0.052   1.250
  141    HD3  LYS  20           2HD      LYS  20  10.971  -1.490   0.220
  142    HE2  LYS  20           1HE      LYS  20  11.693  -0.029  -1.679
  143    HE3  LYS  20           2HE      LYS  20  11.469   1.397  -0.662
  144    HZ1  LYS  20           3HZ      LYS  20  13.481  -0.742  -0.233
  145    HZ2  LYS  20           1HZ      LYS  20  13.201   0.466   0.833
  146    HZ3  LYS  20           2HZ      LYS  20  13.775   0.820  -0.644
  147    H    ASN  21           H        ASN  21   6.306  -2.567  -2.326
  148    HA   ASN  21           HA       ASN  21   6.422  -2.899  -5.291
  149    HB2  ASN  21           1HB      ASN  21   6.480  -5.380  -4.912
  150    HB3  ASN  21           2HB      ASN  21   7.947  -4.563  -4.440
  151   HD21  ASN  21          1HD2      ASN  21   8.576  -4.584  -2.241
  152   HD22  ASN  21          2HD2      ASN  21   7.551  -5.293  -0.979
  153    H    GLU  22           H        GLU  22   4.724  -4.180  -6.179
  154    HA   GLU  22           HA       GLU  22   2.152  -3.211  -5.483
  155    HB2  GLU  22           1HB      GLU  22   3.051  -4.014  -7.747
  156    HB3  GLU  22           2HB      GLU  22   2.797  -5.660  -7.180
  157    HG2  GLU  22           1HG      GLU  22   0.380  -5.195  -6.913
  158    HG3  GLU  22           2HG      GLU  22   0.637  -3.512  -7.365
  159    H    LEU  23           H        LEU  23   3.771  -6.251  -4.770
  160    HA   LEU  23           HA       LEU  23   1.632  -7.748  -3.654
  161    HB2  LEU  23           1HB      LEU  23   3.639  -8.809  -4.367
  162    HB3  LEU  23           2HB      LEU  23   4.665  -7.782  -3.375
  163    HG   LEU  23           HG       LEU  23   3.747  -8.869  -1.314
  164   HD11  LEU  23          1HD1      LEU  23   2.280 -10.688  -3.280
  165   HD12  LEU  23          2HD1      LEU  23   1.522  -9.574  -2.120
  166   HD13  LEU  23          3HD1      LEU  23   2.437 -10.963  -1.531
  167   HD21  LEU  23          3HD2      LEU  23   5.789  -9.726  -2.389
  168   HD22  LEU  23          1HD2      LEU  23   4.811 -10.824  -3.392
  169   HD23  LEU  23          2HD2      LEU  23   4.863 -11.029  -1.626
  170    H    ASP  24           H        ASP  24   4.051  -5.642  -1.993
  171    HA   ASP  24           HA       ASP  24   3.038  -6.020   0.611
  172    HB2  ASP  24           1HB      ASP  24   4.825  -3.978  -0.664
  173    HB3  ASP  24           2HB      ASP  24   4.156  -3.636   0.926
  174    H    ARG  25           H        ARG  25   2.063  -3.697  -1.843
  175    HA   ARG  25           HA       ARG  25   0.122  -2.332  -0.121
  176    HB2  ARG  25           1HB      ARG  25   1.200  -1.315  -2.122
  177    HB3  ARG  25           2HB      ARG  25   0.341  -2.417  -3.148
  178    HG2  ARG  25           1HG      ARG  25  -1.094  -0.498  -1.240
  179    HG3  ARG  25           2HG      ARG  25  -0.533   0.011  -2.825
  180    HD2  ARG  25           1HD      ARG  25  -2.657  -2.051  -2.228
  181    HD3  ARG  25           2HD      ARG  25  -2.848  -0.482  -3.008
  182    HE   ARG  25           HE       ARG  25  -1.112  -1.599  -4.700
  183   HH11  ARG  25          2HH1      ARG  25  -4.059  -3.020  -3.498
  184   HH12  ARG  25          1HH1      ARG  25  -3.869  -4.462  -4.491
  185   HH21  ARG  25          2HH2      ARG  25  -1.053  -3.323  -6.081
  186   HH22  ARG  25          1HH2      ARG  25  -2.173  -4.629  -5.870
  187    H    ASP  26           H        ASP  26  -0.101  -4.995  -2.547
  188    HA   ASP  26           HA       ASP  26  -2.898  -5.237  -2.337
  189    HB2  ASP  26           1HB      ASP  26  -0.709  -7.031  -3.318
  190    HB3  ASP  26           2HB      ASP  26  -2.177  -7.849  -2.835
  191    H    ARG  27           H        ARG  27  -0.345  -6.917  -0.415
  192    HA   ARG  27           HA       ARG  27  -2.304  -8.314   1.179
  193    HB2  ARG  27           1HB      ARG  27  -0.582  -9.055   2.599
  194    HB3  ARG  27           2HB      ARG  27  -0.111  -9.260   0.915
  195    HG2  ARG  27           1HG      ARG  27   1.508  -7.523   1.044
  196    HG3  ARG  27           2HG      ARG  27   0.852  -6.874   2.540
  197    HD2  ARG  27           1HD      ARG  27   1.527  -8.914   3.742
  198    HD3  ARG  27           2HD      ARG  27   2.066  -9.662   2.227
  199    HE   ARG  27           HE       ARG  27   3.593  -7.330   2.418
  200   HH11  ARG  27          2HH1      ARG  27   3.241 -10.170   4.469
  201   HH12  ARG  27          1HH1      ARG  27   4.880 -10.031   5.043
  202   HH21  ARG  27          2HH2      ARG  27   5.557  -7.246   3.112
  203   HH22  ARG  27          1HH2      ARG  27   6.199  -8.384   4.301
  204    H    HIS  28           H        HIS  28  -1.009  -5.085   1.481
  205    HA   HIS  28           HA       HIS  28  -2.019  -4.645   4.168
  206    HB2  HIS  28           1HB      HIS  28  -0.358  -3.153   3.361
  207    HB3  HIS  28           2HB      HIS  28  -1.237  -2.824   1.873
  208    HD1  HIS  28           1HD      HIS  28  -1.532  -2.035   5.640
  209    HD2  HIS  28           2HD      HIS  28  -3.060  -0.955   1.873
  210    HE1  HIS  28           1HE      HIS  28  -2.983   0.005   6.046
  211    H    MET  29           H        MET  29  -3.600  -4.302   0.889
  212    HA   MET  29           HA       MET  29  -5.937  -3.090   1.850
  213    HB2  MET  29           1HB      MET  29  -5.939  -5.198  -0.331
  214    HB3  MET  29           2HB      MET  29  -7.078  -3.879  -0.098
  215    HG2  MET  29           1HG      MET  29  -4.235  -3.756  -1.057
  216    HG3  MET  29           2HG      MET  29  -5.690  -3.281  -1.910
  217    HE1  MET  29           3HE      MET  29  -7.271  -1.370   0.079
  218    HE2  MET  29           1HE      MET  29  -6.571   0.179  -0.450
  219    HE3  MET  29           2HE      MET  29  -6.941  -1.083  -1.645
  220    H    LEU  30           H        LEU  30  -4.956  -6.388   2.398
  221    HA   LEU  30           HA       LEU  30  -7.460  -7.584   3.068
  222    HB2  LEU  30           1HB      LEU  30  -4.741  -8.093   4.333
  223    HB3  LEU  30           2HB      LEU  30  -6.119  -9.178   4.339
  224    HG   LEU  30           HG       LEU  30  -4.524  -8.362   1.867
  225   HD11  LEU  30          1HD1      LEU  30  -4.651 -11.002   3.378
  226   HD12  LEU  30          2HD1      LEU  30  -3.297  -9.850   3.406
  227   HD13  LEU  30          3HD1      LEU  30  -3.721 -10.676   1.897
  228   HD21  LEU  30          3HD2      LEU  30  -6.837  -8.848   1.232
  229   HD22  LEU  30          1HD2      LEU  30  -6.793 -10.370   2.154
  230   HD23  LEU  30          2HD2      LEU  30  -5.768 -10.156   0.714
  231    H    VAL  31           H        VAL  31  -5.428  -5.312   4.932
  232    HA   VAL  31           HA       VAL  31  -6.740  -5.794   7.461
  233    HB   VAL  31           HB       VAL  31  -5.627  -4.015   8.351
  234   HG11  VAL  31          1HG1      VAL  31  -4.100  -5.790   7.604
  235   HG12  VAL  31          2HG1      VAL  31  -3.731  -4.839   6.149
  236   HG13  VAL  31          3HG1      VAL  31  -3.328  -4.202   7.748
  237   HG21  VAL  31          3HG2      VAL  31  -5.425  -2.684   5.655
  238   HG22  VAL  31          1HG2      VAL  31  -6.218  -2.114   7.125
  239   HG23  VAL  31          2HG2      VAL  31  -4.460  -2.198   7.063
  240    H    HIS  32           H        HIS  32  -7.672  -4.047   4.670
  241    HA   HIS  32           HA       HIS  32  -9.924  -2.651   6.014
  242    HB2  HIS  32           1HB      HIS  32  -9.047  -2.558   3.105
  243    HB3  HIS  32           2HB      HIS  32 -10.186  -1.486   3.911
  244    HD1  HIS  32           1HD      HIS  32  -8.637  -0.441   6.359
  245    HD2  HIS  32           2HD      HIS  32  -6.949  -1.141   2.568
  246    HE1  HIS  32           1HE      HIS  32  -6.564   1.013   6.258
  247    H    GLY  33           H        GLY  33  -9.312  -5.144   3.506
  248    HA2  GLY  33           1HA      GLY  33 -12.073  -5.600   2.853
  249    HA3  GLY  33           2HA      GLY  33 -10.694  -6.620   2.430
  250    H    ASP  34           H        ASP  34  -9.955  -7.111   5.271
  251    HA   ASP  34           HA       ASP  34 -12.151  -8.969   6.084
  252    HB2  ASP  34           1HB      ASP  34  -9.148  -9.382   6.163
  253    HB3  ASP  34           2HB      ASP  34 -10.329 -10.462   6.895
  254    H    LYS  35           H        LYS  35 -11.883  -6.256   6.983
  255    HA   LYS  35           HA       LYS  35 -10.772  -6.078   9.627
  256    HB2  LYS  35           1HB      LYS  35 -11.847  -3.905   9.685
  257    HB3  LYS  35           2HB      LYS  35 -11.124  -4.170   8.101
  258    HG2  LYS  35           1HG      LYS  35 -13.375  -4.769   7.180
  259    HG3  LYS  35           2HG      LYS  35 -14.090  -4.460   8.771
  260    HD2  LYS  35           1HD      LYS  35 -13.398  -2.101   8.669
  261    HD3  LYS  35           2HD      LYS  35 -12.520  -2.399   7.166
  262    HE2  LYS  35           1HE      LYS  35 -14.582  -1.335   6.592
  263    HE3  LYS  35           2HE      LYS  35 -14.643  -3.006   6.027
  264    HZ1  LYS  35           3HZ      LYS  35 -16.704  -2.289   7.145
  265    HZ2  LYS  35           1HZ      LYS  35 -15.904  -2.036   8.544
  266    HZ3  LYS  35           2HZ      LYS  35 -16.037  -3.552   7.927
  267    H    TRP  36           H        TRP  36 -13.507  -7.729   8.721
  268    HA   TRP  36           HA       TRP  36 -15.481  -6.951  10.582
  269    HB2  TRP  36           1HB      TRP  36 -15.331  -9.651   9.234
  270    HB3  TRP  36           2HB      TRP  36 -16.759  -8.715   9.658
  271    HD1  TRP  36           1HD      TRP  36 -14.276  -9.306   6.939
  272    HE1  TRP  36           1HE      TRP  36 -14.592  -7.730   4.942
  273    HE3  TRP  36           3HE      TRP  36 -17.821  -6.194   8.941
  274    HZ2  TRP  36           2HZ      TRP  36 -16.285  -5.493   4.250
  275    HZ3  TRP  36           3HZ      TRP  36 -18.814  -4.378   7.563
  276    HH2  TRP  36           2HH      TRP  36 -18.054  -4.018   5.219
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  22.360   1.948 -12.644
    2    H2   GLY   1           2H       GLY   1  22.479   2.987 -11.385
    3    H3   GLY   1           3H       GLY   1  23.821   2.562 -12.225
    4    HA2  GLY   1           1HA      GLY   1  23.153   4.783 -12.843
    5    HA3  GLY   1           2HA      GLY   1  23.009   3.657 -14.206
    6    H    SER   2           H        SER   2  21.563   5.393 -14.965
    7    HA   SER   2           HA       SER   2  19.579   6.292 -15.506
    8    HB2  SER   2           1HB      SER   2  18.324   3.837 -14.246
    9    HB3  SER   2           2HB      SER   2  17.543   4.966 -15.362
   10    HG   SER   2           HG       SER   2  18.375   3.112 -16.437
   11    H    SER   3           H        SER   3  17.353   7.080 -14.742
   12    HA   SER   3           HA       SER   3  17.819   8.688 -12.356
   13    HB2  SER   3           1HB      SER   3  15.735   9.825 -13.089
   14    HB3  SER   3           2HB      SER   3  16.979   9.733 -14.347
   15    HG   SER   3           HG       SER   3  14.884   9.161 -15.133
   16    H    GLY   4           H        GLY   4  16.166   5.714 -12.860
   17    HA2  GLY   4           1HA      GLY   4  14.041   5.966 -10.939
   18    HA3  GLY   4           2HA      GLY   4  14.694   4.463 -11.578
   19    H    SER   5           H        SER   5  13.811   4.861  -8.921
   20    HA   SER   5           HA       SER   5  16.190   4.017  -7.408
   21    HB2  SER   5           1HB      SER   5  16.066   6.517  -7.151
   22    HB3  SER   5           2HB      SER   5  14.465   6.320  -6.413
   23    HG   SER   5           HG       SER   5  16.203   6.426  -4.872
   24    H    SER   6           H        SER   6  15.641   3.024  -5.373
   25    HA   SER   6           HA       SER   6  13.265   1.361  -5.566
   26    HB2  SER   6           1HB      SER   6  15.473   1.371  -3.482
   27    HB3  SER   6           2HB      SER   6  14.266   0.094  -3.741
   28    HG   SER   6           HG       SER   6  16.273  -0.363  -4.778
   29    H    GLY   7           H        GLY   7  12.351   3.897  -5.149
   30    HA2  GLY   7           1HA      GLY   7  11.692   4.446  -2.340
   31    HA3  GLY   7           2HA      GLY   7  11.138   5.317  -3.765
   32    H    LEU   8           H        LEU   8   9.143   5.383  -2.541
   33    HA   LEU   8           HA       LEU   8   7.491   2.928  -2.483
   34    HB2  LEU   8           1HB      LEU   8   6.779   5.780  -1.712
   35    HB3  LEU   8           2HB      LEU   8   5.805   4.336  -1.439
   36    HG   LEU   8           HG       LEU   8   8.510   4.922  -0.149
   37   HD11  LEU   8          1HD1      LEU   8   6.635   6.337   0.660
   38   HD12  LEU   8          2HD1      LEU   8   7.247   5.228   1.899
   39   HD13  LEU   8          3HD1      LEU   8   5.723   4.864   1.065
   40   HD21  LEU   8          3HD2      LEU   8   8.160   2.485  -0.408
   41   HD22  LEU   8          1HD2      LEU   8   6.557   2.637   0.345
   42   HD23  LEU   8          2HD2      LEU   8   8.024   2.971   1.285
   43    H    LEU   9           H        LEU   9   6.089   2.413  -3.967
   44    HA   LEU   9           HA       LEU   9   5.693   4.210  -6.338
   45    HB2  LEU   9           1HB      LEU   9   6.405   1.261  -6.134
   46    HB3  LEU   9           2HB      LEU   9   5.882   2.016  -7.628
   47    HG   LEU   9           HG       LEU   9   8.384   2.790  -6.052
   48   HD11  LEU   9          1HD1      LEU   9   8.074   1.205  -8.633
   49   HD12  LEU   9          2HD1      LEU   9   8.534   0.545  -7.050
   50   HD13  LEU   9          3HD1      LEU   9   9.608   1.686  -7.871
   51   HD21  LEU   9          3HD2      LEU   9   7.578   4.698  -7.369
   52   HD22  LEU   9          1HD2      LEU   9   7.416   3.665  -8.809
   53   HD23  LEU   9          2HD2      LEU   9   9.019   4.012  -8.120
   54    H    TYR  10           H        TYR  10   4.169   1.929  -4.180
   55    HA   TYR  10           HA       TYR  10   1.645   1.953  -5.800
   56    HB2  TYR  10           1HB      TYR  10   2.681  -0.180  -3.897
   57    HB3  TYR  10           2HB      TYR  10   1.182  -0.241  -4.792
   58    HD1  TYR  10           1HD      TYR  10   4.880  -0.357  -5.090
   59    HD2  TYR  10           2HD      TYR  10   1.128  -0.729  -7.185
   60    HE1  TYR  10           1HE      TYR  10   6.081  -1.251  -7.091
   61    HE2  TYR  10           2HE      TYR  10   2.316  -1.658  -9.159
   62    HH   TYR  10           HH       TYR  10   4.347  -2.218 -10.074
   63    H    ASP  11           H        ASP  11  -0.292   2.416  -4.789
   64    HA   ASP  11           HA       ASP  11  -0.121   3.369  -1.967
   65    HB2  ASP  11           1HB      ASP  11  -1.328   5.314  -2.540
   66    HB3  ASP  11           2HB      ASP  11   0.048   5.186  -3.627
   67    H    CYS  12           H        CYS  12  -1.776   3.226  -0.637
   68    HA   CYS  12           HA       CYS  12  -4.014   1.403  -1.158
   69    HB2  CYS  12           1HB      CYS  12  -2.815   1.329   0.945
   70    HB3  CYS  12           2HB      CYS  12  -3.110   3.058   1.221
   71    H    HIS  13           H        HIS  13  -6.036   1.985  -1.656
   72    HA   HIS  13           HA       HIS  13  -6.725   4.852  -1.954
   73    HB2  HIS  13           1HB      HIS  13  -8.558   4.104  -3.345
   74    HB3  HIS  13           2HB      HIS  13  -7.012   3.495  -3.908
   75    HD1  HIS  13           1HD      HIS  13  -6.868   0.893  -4.251
   76    HD2  HIS  13           2HD      HIS  13 -10.231   2.237  -2.108
   77    HE1  HIS  13           1HE      HIS  13  -8.409  -1.124  -3.998
   78    H    ILE  14           H        ILE  14  -6.925   2.796   0.581
   79    HA   ILE  14           HA       ILE  14  -9.612   3.745   1.507
   80    HB   ILE  14           HB       ILE  14  -7.829   1.694   2.790
   81   HG12  ILE  14          1HG1      ILE  14  -8.465   0.838   0.587
   82   HG13  ILE  14          2HG1      ILE  14  -9.199  -0.059   1.895
   83   HG21  ILE  14          1HG2      ILE  14 -10.726   2.489   3.258
   84   HG22  ILE  14          2HG2      ILE  14  -9.982   1.024   3.927
   85   HG23  ILE  14          3HG2      ILE  14  -9.367   2.607   4.393
   86   HD11  ILE  14          3HD1      ILE  14 -10.643   2.026   0.240
   87   HD12  ILE  14          1HD1      ILE  14 -10.721   0.260   0.024
   88   HD13  ILE  14          2HD1      ILE  14 -11.353   0.990   1.509
   89    H    CYS  15           H        CYS  15  -6.168   3.668   2.439
   90    HA   CYS  15           HA       CYS  15  -6.655   5.769   4.488
   91    HB2  CYS  15           1HB      CYS  15  -5.432   4.643   6.115
   92    HB3  CYS  15           2HB      CYS  15  -6.703   3.572   5.522
   93    H    GLU  16           H        GLU  16  -5.080   5.266   1.759
   94    HA   GLU  16           HA       GLU  16  -3.525   6.417   0.645
   95    HB2  GLU  16           1HB      GLU  16  -4.842   8.173   2.175
   96    HB3  GLU  16           2HB      GLU  16  -3.218   8.469   2.791
   97    HG2  GLU  16           1HG      GLU  16  -2.453   8.854   0.410
   98    HG3  GLU  16           2HG      GLU  16  -4.103   8.549  -0.133
   99    H    ARG  17           H        ARG  17  -2.541   4.553   2.956
  100    HA   ARG  17           HA       ARG  17   0.273   5.236   3.266
  101    HB2  ARG  17           1HB      ARG  17  -1.490   2.860   3.792
  102    HB3  ARG  17           2HB      ARG  17   0.215   2.506   3.519
  103    HG2  ARG  17           1HG      ARG  17   0.950   3.916   5.283
  104    HG3  ARG  17           2HG      ARG  17  -0.653   4.631   5.513
  105    HD2  ARG  17           1HD      ARG  17  -0.213   1.641   5.836
  106    HD3  ARG  17           2HD      ARG  17   0.174   2.771   7.129
  107    HE   ARG  17           HE       ARG  17  -2.541   2.912   5.881
  108   HH11  ARG  17          2HH2      ARG  17  -0.768   2.123   8.813
  109   HH12  ARG  17          1HH2      ARG  17  -2.225   2.156   9.771
  110   HH21  ARG  17          1HH1      ARG  17  -4.252   2.895   7.065
  111   HH22  ARG  17          2HH1      ARG  17  -4.193   2.603   8.801
  112    H    LYS  18           H        LYS  18   2.059   4.119   2.372
  113    HA   LYS  18           HA       LYS  18   1.694   3.257  -0.451
  114    HB2  LYS  18           1HB      LYS  18   3.580   5.466   0.439
  115    HB3  LYS  18           2HB      LYS  18   3.523   4.724  -1.172
  116    HG2  LYS  18           1HG      LYS  18   1.189   5.476  -1.453
  117    HG3  LYS  18           2HG      LYS  18   1.266   6.320   0.099
  118    HD2  LYS  18           1HD      LYS  18   3.102   6.885  -2.270
  119    HD3  LYS  18           2HD      LYS  18   1.624   7.787  -1.895
  120    HE2  LYS  18           1HE      LYS  18   2.570   8.386   0.338
  121    HE3  LYS  18           2HE      LYS  18   4.070   7.548  -0.082
  122    HZ1  LYS  18           3HZ      LYS  18   4.236   9.928  -0.522
  123    HZ2  LYS  18           1HZ      LYS  18   2.961   9.893  -1.535
  124    HZ3  LYS  18           2HZ      LYS  18   4.343   9.119  -1.934
  125    H    PHE  19           H        PHE  19   3.290   2.056  -1.384
  126    HA   PHE  19           HA       PHE  19   5.205   0.680   0.464
  127    HB2  PHE  19           1HB      PHE  19   3.213  -0.577  -1.440
  128    HB3  PHE  19           2HB      PHE  19   4.318  -1.440  -0.399
  129    HD1  PHE  19           1HD      PHE  19   4.022  -1.499   2.073
  130    HD2  PHE  19           2HD      PHE  19   1.161   0.436  -0.505
  131    HE1  PHE  19           1HE      PHE  19   2.426  -1.336   3.969
  132    HE2  PHE  19           2HE      PHE  19  -0.423   0.638   1.409
  133    HZ   PHE  19           HZ       PHE  19   0.220  -0.245   3.649
  134    H    LYS  20           H        LYS  20   6.779  -0.668  -0.537
  135    HA   LYS  20           HA       LYS  20   8.022   0.541  -2.858
  136    HB2  LYS  20           1HB      LYS  20   8.748  -1.976  -1.286
  137    HB3  LYS  20           2HB      LYS  20   9.761  -1.200  -2.507
  138    HG2  LYS  20           1HG      LYS  20   9.846   0.869  -1.112
  139    HG3  LYS  20           2HG      LYS  20   8.849   0.063   0.111
  140    HD2  LYS  20           1HD      LYS  20  11.123  -0.011   0.837
  141    HD3  LYS  20           2HD      LYS  20  10.617  -1.656   0.419
  142    HE2  LYS  20           1HE      LYS  20  11.781  -1.457  -1.767
  143    HE3  LYS  20           2HE      LYS  20  12.227   0.212  -1.385
  144    HZ1  LYS  20           3HZ      LYS  20  14.042  -1.334  -0.897
  145    HZ2  LYS  20           1HZ      LYS  20  13.116  -2.177   0.149
  146    HZ3  LYS  20           2HZ      LYS  20  13.536  -0.633   0.486
  147    H    ASN  21           H        ASN  21   6.223  -2.442  -2.368
  148    HA   ASN  21           HA       ASN  21   6.399  -3.036  -5.297
  149    HB2  ASN  21           1HB      ASN  21   6.130  -5.084  -3.066
  150    HB3  ASN  21           2HB      ASN  21   6.305  -5.407  -4.784
  151   HD21  ASN  21          1HD2      ASN  21   7.933  -4.723  -1.831
  152   HD22  ASN  21          2HD2      ASN  21   9.560  -4.924  -2.484
  153    H    GLU  22           H        GLU  22   4.622  -4.099  -6.221
  154    HA   GLU  22           HA       GLU  22   2.014  -3.176  -5.501
  155    HB2  GLU  22           1HB      GLU  22   2.913  -3.998  -7.787
  156    HB3  GLU  22           2HB      GLU  22   2.650  -5.630  -7.189
  157    HG2  GLU  22           1HG      GLU  22   0.245  -5.120  -6.862
  158    HG3  GLU  22           2HG      GLU  22   0.515  -3.453  -7.369
  159    H    LEU  23           H        LEU  23   3.745  -6.205  -4.880
  160    HA   LEU  23           HA       LEU  23   1.704  -7.718  -3.636
  161    HB2  LEU  23           1HB      LEU  23   3.741  -8.728  -4.382
  162    HB3  LEU  23           2HB      LEU  23   4.730  -7.670  -3.370
  163    HG   LEU  23           HG       LEU  23   3.836  -8.764  -1.327
  164   HD11  LEU  23          1HD1      LEU  23   2.445 -10.648  -3.281
  165   HD12  LEU  23          2HD1      LEU  23   1.649  -9.553  -2.125
  166   HD13  LEU  23          3HD1      LEU  23   2.611 -10.907  -1.528
  167   HD21  LEU  23          3HD2      LEU  23   5.007 -10.684  -3.377
  168   HD22  LEU  23          1HD2      LEU  23   5.050 -10.874  -1.608
  169   HD23  LEU  23          2HD2      LEU  23   5.922  -9.535  -2.372
  170    H    ASP  24           H        ASP  24   4.188  -5.597  -2.047
  171    HA   ASP  24           HA       ASP  24   3.310  -6.041   0.606
  172    HB2  ASP  24           1HB      ASP  24   4.655  -3.640  -0.676
  173    HB3  ASP  24           2HB      ASP  24   4.406  -3.798   1.065
  174    H    ARG  25           H        ARG  25   2.157  -3.688  -1.772
  175    HA   ARG  25           HA       ARG  25   0.288  -2.359   0.047
  176    HB2  ARG  25           1HB      ARG  25   1.355  -1.349  -2.000
  177    HB3  ARG  25           2HB      ARG  25   0.391  -2.365  -3.001
  178    HG2  ARG  25           1HG      ARG  25  -0.809  -0.406  -0.956
  179    HG3  ARG  25           2HG      ARG  25  -0.349   0.079  -2.589
  180    HD2  ARG  25           1HD      ARG  25  -2.517  -1.853  -1.769
  181    HD3  ARG  25           2HD      ARG  25  -2.695  -0.294  -2.546
  182    HE   ARG  25           HE       ARG  25  -1.383  -2.679  -3.764
  183   HH11  ARG  25          2HH1      ARG  25  -2.882   0.420  -4.425
  184   HH12  ARG  25          1HH1      ARG  25  -3.263  -0.029  -6.070
  185   HH21  ARG  25          2HH2      ARG  25  -2.178  -3.290  -5.683
  186   HH22  ARG  25          1HH2      ARG  25  -2.767  -2.086  -6.827
  187    H    ASP  26           H        ASP  26  -0.026  -4.883  -2.472
  188    HA   ASP  26           HA       ASP  26  -2.834  -5.166  -2.303
  189    HB2  ASP  26           1HB      ASP  26  -0.586  -6.984  -3.220
  190    HB3  ASP  26           2HB      ASP  26  -2.233  -7.572  -3.135
  191    H    ARG  27           H        ARG  27  -0.274  -6.849  -0.391
  192    HA   ARG  27           HA       ARG  27  -2.230  -8.344   1.170
  193    HB2  ARG  27           1HB      ARG  27  -0.522  -9.057   2.577
  194    HB3  ARG  27           2HB      ARG  27  -0.073  -9.256   0.885
  195    HG2  ARG  27           1HG      ARG  27   1.445  -7.396   0.978
  196    HG3  ARG  27           2HG      ARG  27   0.899  -6.899   2.568
  197    HD2  ARG  27           1HD      ARG  27   2.039  -9.641   1.968
  198    HD3  ARG  27           2HD      ARG  27   3.090  -8.264   2.385
  199    HE   ARG  27           HE       ARG  27   1.122  -8.441   4.404
  200   HH11  ARG  27          2HH1      ARG  27   3.816 -10.402   3.320
  201   HH12  ARG  27          1HH1      ARG  27   4.054 -11.110   4.897
  202   HH21  ARG  27          2HH2      ARG  27   1.477  -9.386   6.386
  203   HH22  ARG  27          1HH2      ARG  27   2.762 -10.541   6.581
  204    H    HIS  28           H        HIS  28  -0.939  -5.088   1.530
  205    HA   HIS  28           HA       HIS  28  -2.000  -4.700   4.217
  206    HB2  HIS  28           1HB      HIS  28  -0.295  -3.221   3.552
  207    HB3  HIS  28           2HB      HIS  28  -1.035  -2.874   2.000
  208    HD1  HIS  28           1HD      HIS  28  -1.517  -1.992   5.707
  209    HD2  HIS  28           2HD      HIS  28  -2.928  -1.041   1.861
  210    HE1  HIS  28           1HE      HIS  28  -3.010   0.034   6.003
  211    H    MET  29           H        MET  29  -3.483  -4.288   0.915
  212    HA   MET  29           HA       MET  29  -5.842  -3.074   1.806
  213    HB2  MET  29           1HB      MET  29  -5.715  -5.175  -0.391
  214    HB3  MET  29           2HB      MET  29  -6.931  -3.920  -0.182
  215    HG2  MET  29           1HG      MET  29  -4.057  -3.610  -1.015
  216    HG3  MET  29           2HG      MET  29  -5.490  -3.222  -1.938
  217    HE1  MET  29           3HE      MET  29  -6.897  -1.144  -1.731
  218    HE2  MET  29           1HE      MET  29  -7.316  -1.432  -0.028
  219    HE3  MET  29           2HE      MET  29  -6.679   0.152  -0.536
  220    H    LEU  30           H        LEU  30  -4.903  -6.386   2.353
  221    HA   LEU  30           HA       LEU  30  -7.424  -7.576   2.934
  222    HB2  LEU  30           1HB      LEU  30  -4.735  -8.107   4.255
  223    HB3  LEU  30           2HB      LEU  30  -6.110  -9.191   4.233
  224    HG   LEU  30           HG       LEU  30  -4.504  -8.357   1.775
  225   HD11  LEU  30          1HD1      LEU  30  -3.243  -9.813   3.319
  226   HD12  LEU  30          2HD1      LEU  30  -3.649 -10.653   1.815
  227   HD13  LEU  30          3HD1      LEU  30  -4.573 -10.991   3.299
  228   HD21  LEU  30          3HD2      LEU  30  -5.707 -10.181   0.633
  229   HD22  LEU  30          1HD2      LEU  30  -6.811  -8.900   1.150
  230   HD23  LEU  30          2HD2      LEU  30  -6.723 -10.419   2.078
  231    H    VAL  31           H        VAL  31  -5.476  -5.323   4.885
  232    HA   VAL  31           HA       VAL  31  -6.768  -5.927   7.396
  233    HB   VAL  31           HB       VAL  31  -5.670  -4.148   8.350
  234   HG11  VAL  31          1HG1      VAL  31  -4.145  -5.910   7.570
  235   HG12  VAL  31          2HG1      VAL  31  -3.782  -4.941   6.127
  236   HG13  VAL  31          3HG1      VAL  31  -3.370  -4.325   7.733
  237   HG21  VAL  31          3HG2      VAL  31  -6.255  -2.221   7.155
  238   HG22  VAL  31          1HG2      VAL  31  -4.496  -2.312   7.073
  239   HG23  VAL  31          2HG2      VAL  31  -5.479  -2.776   5.669
  240    H    HIS  32           H        HIS  32  -7.732  -4.022   4.696
  241    HA   HIS  32           HA       HIS  32  -9.819  -2.528   6.141
  242    HB2  HIS  32           1HB      HIS  32  -9.101  -2.606   3.189
  243    HB3  HIS  32           2HB      HIS  32 -10.191  -1.464   3.971
  244    HD1  HIS  32           1HD      HIS  32  -8.578  -0.403   6.367
  245    HD2  HIS  32           2HD      HIS  32  -6.973  -1.251   2.574
  246    HE1  HIS  32           1HE      HIS  32  -6.459   0.971   6.207
  247    H    GLY  33           H        GLY  33  -9.618  -5.608   4.705
  248    HA2  GLY  33           1HA      GLY  33 -11.217  -7.259   4.476
  249    HA3  GLY  33           2HA      GLY  33 -12.398  -6.176   5.209
  250    H    ASP  34           H        ASP  34 -14.029  -5.645   3.939
  251    HA   ASP  34           HA       ASP  34 -15.472  -5.393   2.272
  252    HB2  ASP  34           1HB      ASP  34 -13.933  -3.519   1.783
  253    HB3  ASP  34           2HB      ASP  34 -13.107  -4.526   0.594
  254    H    LYS  35           H        LYS  35 -12.840  -7.513   1.352
  255    HA   LYS  35           HA       LYS  35 -14.206  -8.866  -0.808
  256    HB2  LYS  35           1HB      LYS  35 -12.420 -10.499  -0.630
  257    HB3  LYS  35           2HB      LYS  35 -11.763  -8.865  -0.570
  258    HG2  LYS  35           1HG      LYS  35 -11.480  -9.010   1.869
  259    HG3  LYS  35           2HG      LYS  35 -12.251 -10.595   1.904
  260    HD2  LYS  35           1HD      LYS  35  -9.676 -10.012   0.390
  261    HD3  LYS  35           2HD      LYS  35  -9.741 -10.608   2.057
  262    HE2  LYS  35           1HE      LYS  35 -11.033 -12.594   1.314
  263    HE3  LYS  35           2HE      LYS  35 -10.944 -12.033  -0.359
  264    HZ1  LYS  35           3HZ      LYS  35  -9.216 -13.662   0.113
  265    HZ2  LYS  35           1HZ      LYS  35  -8.603 -12.752   1.322
  266    HZ3  LYS  35           2HZ      LYS  35  -8.518 -12.227  -0.227
  267    H    TRP  36           H        TRP  36 -14.765  -9.026   2.536
  268    HA   TRP  36           HA       TRP  36 -15.487 -11.852   2.666
  269    HB2  TRP  36           1HB      TRP  36 -15.707  -9.726   4.798
  270    HB3  TRP  36           2HB      TRP  36 -15.783 -11.467   5.022
  271    HD1  TRP  36           1HD      TRP  36 -13.510  -8.764   5.468
  272    HE1  TRP  36           1HE      TRP  36 -11.040  -9.492   5.577
  273    HE3  TRP  36           3HE      TRP  36 -13.973 -13.473   3.511
  274    HZ2  TRP  36           2HZ      TRP  36  -9.475 -11.797   4.851
  275    HZ3  TRP  36           3HZ      TRP  36 -11.971 -14.911   3.218
  276    HH2  TRP  36           2HH      TRP  36  -9.722 -14.091   3.891
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  15.134  19.055  -9.762
    2    H2   GLY   1           2H       GLY   1  13.989  20.066 -10.355
    3    H3   GLY   1           3H       GLY   1  13.547  18.675  -9.612
    4    HA2  GLY   1           1HA      GLY   1  14.891  20.950  -8.303
    5    HA3  GLY   1           2HA      GLY   1  13.167  20.563  -8.160
    6    H    SER   2           H        SER   2  15.626  20.591  -6.254
    7    HA   SER   2           HA       SER   2  16.273  17.974  -5.470
    8    HB2  SER   2           1HB      SER   2  16.302  20.483  -3.755
    9    HB3  SER   2           2HB      SER   2  17.256  19.008  -3.501
   10    HG   SER   2           HG       SER   2  18.464  20.640  -4.579
   11    H    SER   3           H        SER   3  13.337  19.658  -4.714
   12    HA   SER   3           HA       SER   3  12.692  18.312  -2.248
   13    HB2  SER   3           1HB      SER   3  10.840  19.671  -4.238
   14    HB3  SER   3           2HB      SER   3  10.490  19.301  -2.538
   15    HG   SER   3           HG       SER   3  11.154  21.481  -2.826
   16    H    GLY   4           H        GLY   4  12.746  17.034  -5.408
   17    HA2  GLY   4           1HA      GLY   4  10.419  15.354  -5.409
   18    HA3  GLY   4           2HA      GLY   4  11.866  15.135  -6.385
   19    H    SER   5           H        SER   5  10.339  13.031  -5.307
   20    HA   SER   5           HA       SER   5  12.320  11.621  -3.605
   21    HB2  SER   5           1HB      SER   5  10.565  10.801  -2.108
   22    HB3  SER   5           2HB      SER   5  10.701  12.565  -2.041
   23    HG   SER   5           HG       SER   5   8.516  11.892  -2.165
   24    H    SER   6           H        SER   6  11.916   9.285  -3.457
   25    HA   SER   6           HA       SER   6  10.340   7.993  -5.576
   26    HB2  SER   6           1HB      SER   6  12.524   8.789  -6.626
   27    HB3  SER   6           2HB      SER   6  13.363   7.652  -5.555
   28    HG   SER   6           HG       SER   6  12.845   6.793  -7.662
   29    H    GLY   7           H        GLY   7  11.124   5.530  -5.571
   30    HA2  GLY   7           1HA      GLY   7  11.670   3.569  -4.420
   31    HA3  GLY   7           2HA      GLY   7  11.808   4.472  -2.906
   32    H    LEU   8           H        LEU   8   8.900   5.464  -3.855
   33    HA   LEU   8           HA       LEU   8   7.386   3.059  -2.919
   34    HB2  LEU   8           1HB      LEU   8   6.862   5.976  -2.256
   35    HB3  LEU   8           2HB      LEU   8   5.787   4.637  -1.856
   36    HG   LEU   8           HG       LEU   8   8.653   4.897  -0.824
   37   HD11  LEU   8          1HD1      LEU   8   7.644   5.537   1.300
   38   HD12  LEU   8          2HD1      LEU   8   6.020   5.488   0.574
   39   HD13  LEU   8          3HD1      LEU   8   7.216   6.691   0.028
   40   HD21  LEU   8          3HD2      LEU   8   7.953   3.177   0.811
   41   HD22  LEU   8          1HD2      LEU   8   7.853   2.554  -0.839
   42   HD23  LEU   8          2HD2      LEU   8   6.373   3.055   0.013
   43    H    LEU   9           H        LEU   9   6.033   2.332  -4.297
   44    HA   LEU   9           HA       LEU   9   5.343   3.944  -6.742
   45    HB2  LEU   9           1HB      LEU   9   6.083   1.023  -6.350
   46    HB3  LEU   9           2HB      LEU   9   5.480   1.681  -7.861
   47    HG   LEU   9           HG       LEU   9   8.075   2.503  -6.470
   48   HD11  LEU   9          1HD1      LEU   9   8.130   0.220  -7.394
   49   HD12  LEU   9          2HD1      LEU   9   9.172   1.314  -8.317
   50   HD13  LEU   9          3HD1      LEU   9   7.588   0.836  -8.972
   51   HD21  LEU   9          3HD2      LEU   9   7.228   4.380  -7.802
   52   HD22  LEU   9          1HD2      LEU   9   6.950   3.302  -9.191
   53   HD23  LEU   9          2HD2      LEU   9   8.602   3.639  -8.623
   54    H    TYR  10           H        TYR  10   3.997   1.825  -4.306
   55    HA   TYR  10           HA       TYR  10   1.369   1.769  -5.754
   56    HB2  TYR  10           1HB      TYR  10   2.546  -0.305  -3.872
   57    HB3  TYR  10           2HB      TYR  10   0.983  -0.388  -4.644
   58    HD1  TYR  10           1HD      TYR  10   4.638  -0.553  -5.216
   59    HD2  TYR  10           2HD      TYR  10   0.740  -0.901  -7.030
   60    HE1  TYR  10           1HE      TYR  10   5.685  -1.473  -7.284
   61    HE2  TYR  10           2HE      TYR  10   1.782  -1.858  -9.080
   62    HH   TYR  10           HH       TYR  10   5.329  -2.291  -9.397
   63    H    ASP  11           H        ASP  11  -0.483   2.287  -4.660
   64    HA   ASP  11           HA       ASP  11  -0.174   3.275  -1.862
   65    HB2  ASP  11           1HB      ASP  11  -1.347   5.249  -2.396
   66    HB3  ASP  11           2HB      ASP  11  -0.031   5.084  -3.548
   67    H    CYS  12           H        CYS  12  -1.817   3.229  -0.495
   68    HA   CYS  12           HA       CYS  12  -4.147   1.484  -0.981
   69    HB2  CYS  12           1HB      CYS  12  -2.861   1.269   1.080
   70    HB3  CYS  12           2HB      CYS  12  -3.078   2.996   1.430
   71    H    HIS  13           H        HIS  13  -6.058   2.295  -1.657
   72    HA   HIS  13           HA       HIS  13  -6.485   5.204  -1.777
   73    HB2  HIS  13           1HB      HIS  13  -8.322   4.763  -3.191
   74    HB3  HIS  13           2HB      HIS  13  -6.987   3.747  -3.708
   75    HD1  HIS  13           1HD      HIS  13 -10.387   3.447  -1.886
   76    HD2  HIS  13           2HD      HIS  13  -7.444   1.138  -3.809
   77    HE1  HIS  13           1HE      HIS  13 -11.370   1.102  -2.151
   78    H    ILE  14           H        ILE  14  -6.894   3.072   0.689
   79    HA   ILE  14           HA       ILE  14  -9.509   4.153   1.635
   80    HB   ILE  14           HB       ILE  14  -7.912   1.797   2.700
   81   HG12  ILE  14          1HG1      ILE  14 -10.022   0.583   1.680
   82   HG13  ILE  14          2HG1      ILE  14 -10.050   1.940   0.558
   83   HG21  ILE  14          1HG2      ILE  14 -10.034   1.208   3.810
   84   HG22  ILE  14          2HG2      ILE  14  -9.436   2.766   4.367
   85   HG23  ILE  14          3HG2      ILE  14 -10.775   2.700   3.194
   86   HD11  ILE  14          3HD1      ILE  14  -8.884  -0.082  -0.275
   87   HD12  ILE  14          1HD1      ILE  14  -7.774   1.294  -0.205
   88   HD13  ILE  14          2HD1      ILE  14  -7.716   0.035   1.048
   89    H    CYS  15           H        CYS  15  -6.140   3.728   2.678
   90    HA   CYS  15           HA       CYS  15  -6.541   5.836   4.751
   91    HB2  CYS  15           1HB      CYS  15  -5.322   4.663   6.353
   92    HB3  CYS  15           2HB      CYS  15  -6.621   3.625   5.762
   93    H    GLU  16           H        GLU  16  -5.023   5.384   2.002
   94    HA   GLU  16           HA       GLU  16  -3.487   6.561   0.892
   95    HB2  GLU  16           1HB      GLU  16  -4.738   8.279   2.542
   96    HB3  GLU  16           2HB      GLU  16  -3.078   8.556   3.067
   97    HG2  GLU  16           1HG      GLU  16  -2.455   8.963   0.646
   98    HG3  GLU  16           2HG      GLU  16  -4.142   8.689   0.206
   99    H    ARG  17           H        ARG  17  -2.464   4.597   3.081
  100    HA   ARG  17           HA       ARG  17   0.372   5.257   3.326
  101    HB2  ARG  17           1HB      ARG  17  -1.389   2.874   3.869
  102    HB3  ARG  17           2HB      ARG  17   0.323   2.549   3.594
  103    HG2  ARG  17           1HG      ARG  17   1.032   3.982   5.354
  104    HG3  ARG  17           2HG      ARG  17  -0.586   4.662   5.587
  105    HD2  ARG  17           1HD      ARG  17  -0.097   1.681   5.909
  106    HD3  ARG  17           2HD      ARG  17   0.310   2.816   7.193
  107    HE   ARG  17           HE       ARG  17  -2.437   2.933   6.010
  108   HH11  ARG  17          2HH1      ARG  17  -0.583   2.149   8.894
  109   HH12  ARG  17          1HH1      ARG  17  -2.016   2.165   9.888
  110   HH21  ARG  17          2HH2      ARG  17  -4.120   2.893   7.239
  111   HH22  ARG  17          1HH2      ARG  17  -4.012   2.592   8.970
  112    H    LYS  18           H        LYS  18   2.103   4.116   2.378
  113    HA   LYS  18           HA       LYS  18   1.666   3.261  -0.437
  114    HB2  LYS  18           1HB      LYS  18   3.603   5.452   0.382
  115    HB3  LYS  18           2HB      LYS  18   3.461   4.717  -1.224
  116    HG2  LYS  18           1HG      LYS  18   1.101   5.496  -1.362
  117    HG3  LYS  18           2HG      LYS  18   1.316   6.372   0.159
  118    HD2  LYS  18           1HD      LYS  18   2.942   6.840  -2.380
  119    HD3  LYS  18           2HD      LYS  18   1.552   7.804  -1.860
  120    HE2  LYS  18           1HE      LYS  18   2.757   8.382   0.252
  121    HE3  LYS  18           2HE      LYS  18   4.169   7.484  -0.321
  122    HZ1  LYS  18           3HZ      LYS  18   4.293   9.029  -2.213
  123    HZ2  LYS  18           1HZ      LYS  18   4.375   9.853  -0.806
  124    HZ3  LYS  18           2HZ      LYS  18   2.993   9.858  -1.671
  125    H    PHE  19           H        PHE  19   3.243   2.046  -1.393
  126    HA   PHE  19           HA       PHE  19   5.222   0.722   0.420
  127    HB2  PHE  19           1HB      PHE  19   3.189  -0.600  -1.397
  128    HB3  PHE  19           2HB      PHE  19   4.328  -1.432  -0.368
  129    HD1  PHE  19           1HD      PHE  19   4.070  -1.487   2.104
  130    HD2  PHE  19           2HD      PHE  19   1.170   0.452  -0.421
  131    HE1  PHE  19           1HE      PHE  19   2.506  -1.326   4.026
  132    HE2  PHE  19           2HE      PHE  19  -0.383   0.657   1.520
  133    HZ   PHE  19           HZ       PHE  19   0.293  -0.233   3.748
  134    H    LYS  20           H        LYS  20   6.738  -0.665  -0.601
  135    HA   LYS  20           HA       LYS  20   7.963   0.524  -2.933
  136    HB2  LYS  20           1HB      LYS  20   8.694  -2.054  -1.464
  137    HB3  LYS  20           2HB      LYS  20   9.713  -1.165  -2.597
  138    HG2  LYS  20           1HG      LYS  20   9.662   0.799  -1.006
  139    HG3  LYS  20           2HG      LYS  20   8.785  -0.226   0.149
  140    HD2  LYS  20           1HD      LYS  20  10.672  -1.828   0.174
  141    HD3  LYS  20           2HD      LYS  20  11.553  -0.812  -0.991
  142    HE2  LYS  20           1HE      LYS  20  11.505   1.076   0.623
  143    HE3  LYS  20           2HE      LYS  20  10.637   0.066   1.786
  144    HZ1  LYS  20           3HZ      LYS  20  13.373  -0.487   0.762
  145    HZ2  LYS  20           1HZ      LYS  20  12.571  -1.421   1.838
  146    HZ3  LYS  20           2HZ      LYS  20  13.022   0.092   2.246
  147    H    ASN  21           H        ASN  21   6.203  -2.472  -2.392
  148    HA   ASN  21           HA       ASN  21   6.298  -3.107  -5.317
  149    HB2  ASN  21           1HB      ASN  21   6.108  -5.116  -3.044
  150    HB3  ASN  21           2HB      ASN  21   6.292  -5.464  -4.756
  151   HD21  ASN  21          1HD2      ASN  21   7.902  -4.948  -1.820
  152   HD22  ASN  21          2HD2      ASN  21   9.537  -4.962  -2.480
  153    H    GLU  22           H        GLU  22   4.505  -4.284  -6.145
  154    HA   GLU  22           HA       GLU  22   1.912  -3.328  -5.373
  155    HB2  GLU  22           1HB      GLU  22   2.694  -4.195  -7.666
  156    HB3  GLU  22           2HB      GLU  22   2.533  -5.822  -7.016
  157    HG2  GLU  22           1HG      GLU  22   0.128  -5.411  -6.577
  158    HG3  GLU  22           2HG      GLU  22   0.296  -3.745  -7.131
  159    H    LEU  23           H        LEU  23   3.644  -6.365  -4.758
  160    HA   LEU  23           HA       LEU  23   1.669  -7.816  -3.360
  161    HB2  LEU  23           1HB      LEU  23   3.671  -8.867  -4.124
  162    HB3  LEU  23           2HB      LEU  23   4.702  -7.752  -3.219
  163    HG   LEU  23           HG       LEU  23   3.940  -8.733  -1.084
  164   HD11  LEU  23          1HD1      LEU  23   1.694  -9.539  -1.688
  165   HD12  LEU  23          2HD1      LEU  23   2.682 -10.866  -1.077
  166   HD13  LEU  23          3HD1      LEU  23   2.402 -10.706  -2.828
  167   HD21  LEU  23          3HD2      LEU  23   5.104 -10.873  -1.316
  168   HD22  LEU  23          1HD2      LEU  23   5.942  -9.595  -2.213
  169   HD23  LEU  23          2HD2      LEU  23   4.949 -10.786  -3.086
  170    H    ASP  24           H        ASP  24   4.173  -5.588  -1.974
  171    HA   ASP  24           HA       ASP  24   3.372  -5.972   0.720
  172    HB2  ASP  24           1HB      ASP  24   4.859  -3.717  -0.653
  173    HB3  ASP  24           2HB      ASP  24   4.593  -3.769   1.094
  174    H    ARG  25           H        ARG  25   2.097  -3.772  -1.686
  175    HA   ARG  25           HA       ARG  25   0.345  -2.340   0.202
  176    HB2  ARG  25           1HB      ARG  25   1.318  -1.373  -1.921
  177    HB3  ARG  25           2HB      ARG  25   0.308  -2.410  -2.848
  178    HG2  ARG  25           1HG      ARG  25  -0.792  -0.402  -0.794
  179    HG3  ARG  25           2HG      ARG  25  -0.424   0.034  -2.461
  180    HD2  ARG  25           1HD      ARG  25  -2.537  -1.865  -1.454
  181    HD3  ARG  25           2HD      ARG  25  -2.762  -0.341  -2.273
  182    HE   ARG  25           HE       ARG  25  -1.499  -2.745  -3.499
  183   HH11  ARG  25          2HH1      ARG  25  -3.114   0.300  -4.137
  184   HH12  ARG  25          1HH1      ARG  25  -3.620  -0.210  -5.730
  185   HH21  ARG  25          2HH2      ARG  25  -2.410  -3.426  -5.347
  186   HH22  ARG  25          1HH2      ARG  25  -3.125  -2.272  -6.468
  187    H    ASP  26           H        ASP  26  -0.030  -4.947  -2.213
  188    HA   ASP  26           HA       ASP  26  -2.838  -5.227  -1.933
  189    HB2  ASP  26           1HB      ASP  26  -0.609  -7.043  -2.911
  190    HB3  ASP  26           2HB      ASP  26  -2.240  -7.654  -2.738
  191    H    ARG  27           H        ARG  27  -0.183  -6.872  -0.129
  192    HA   ARG  27           HA       ARG  27  -1.993  -8.411   1.533
  193    HB2  ARG  27           1HB      ARG  27  -0.130  -8.978   2.888
  194    HB3  ARG  27           2HB      ARG  27   0.288  -9.130   1.180
  195    HG2  ARG  27           1HG      ARG  27   1.523  -7.021   1.262
  196    HG3  ARG  27           2HG      ARG  27   1.028  -6.720   2.901
  197    HD2  ARG  27           1HD      ARG  27   2.244  -8.834   3.595
  198    HD3  ARG  27           2HD      ARG  27   2.757  -9.038   1.921
  199    HE   ARG  27           HE       ARG  27   4.337  -7.321   2.158
  200   HH11  ARG  27          2HH1      ARG  27   2.411  -7.340   5.104
  201   HH12  ARG  27          1HH1      ARG  27   3.501  -6.233   5.891
  202   HH21  ARG  27          2HH2      ARG  27   5.572  -5.957   3.134
  203   HH22  ARG  27          1HH2      ARG  27   5.301  -5.464   4.806
  204    H    HIS  28           H        HIS  28  -0.963  -5.086   1.747
  205    HA   HIS  28           HA       HIS  28  -2.065  -4.699   4.460
  206    HB2  HIS  28           1HB      HIS  28  -0.308  -3.235   3.853
  207    HB3  HIS  28           2HB      HIS  28  -0.989  -2.881   2.277
  208    HD1  HIS  28           1HD      HIS  28  -1.524  -1.955   5.954
  209    HD2  HIS  28           2HD      HIS  28  -2.946  -1.091   2.091
  210    HE1  HIS  28           1HE      HIS  28  -3.046   0.053   6.214
  211    H    MET  29           H        MET  29  -3.377  -4.418   1.078
  212    HA   MET  29           HA       MET  29  -5.804  -3.178   1.901
  213    HB2  MET  29           1HB      MET  29  -5.451  -5.125  -0.400
  214    HB3  MET  29           2HB      MET  29  -6.796  -4.020  -0.140
  215    HG2  MET  29           1HG      MET  29  -4.969  -2.144  -0.123
  216    HG3  MET  29           2HG      MET  29  -3.953  -3.383  -0.860
  217    HE1  MET  29           3HE      MET  29  -7.605  -1.309  -2.757
  218    HE2  MET  29           1HE      MET  29  -7.712  -2.165  -1.210
  219    HE3  MET  29           2HE      MET  29  -6.689  -0.722  -1.352
  220    H    LEU  30           H        LEU  30  -4.785  -6.450   2.441
  221    HA   LEU  30           HA       LEU  30  -7.264  -7.750   2.958
  222    HB2  LEU  30           1HB      LEU  30  -4.620  -8.080   4.431
  223    HB3  LEU  30           2HB      LEU  30  -5.933  -9.237   4.378
  224    HG   LEU  30           HG       LEU  30  -4.188  -8.411   2.021
  225   HD11  LEU  30          1HD1      LEU  30  -3.048  -9.828   3.698
  226   HD12  LEU  30          2HD1      LEU  30  -3.300 -10.693   2.173
  227   HD13  LEU  30          3HD1      LEU  30  -4.350 -11.029   3.570
  228   HD21  LEU  30          3HD2      LEU  30  -6.414  -9.007   1.198
  229   HD22  LEU  30          1HD2      LEU  30  -6.383 -10.514   2.147
  230   HD23  LEU  30          2HD2      LEU  30  -5.241 -10.269   0.801
  231    H    VAL  31           H        VAL  31  -5.590  -5.288   4.868
  232    HA   VAL  31           HA       VAL  31  -7.079  -5.823   7.315
  233    HB   VAL  31           HB       VAL  31  -6.081  -4.018   8.276
  234   HG11  VAL  31          1HG1      VAL  31  -3.966  -4.873   6.302
  235   HG12  VAL  31          2HG1      VAL  31  -3.733  -4.188   7.916
  236   HG13  VAL  31          3HG1      VAL  31  -4.477  -5.787   7.738
  237   HG21  VAL  31          3HG2      VAL  31  -4.792  -2.220   7.050
  238   HG22  VAL  31          1HG2      VAL  31  -5.674  -2.726   5.594
  239   HG23  VAL  31          2HG2      VAL  31  -6.553  -2.138   7.006
  240    H    HIS  32           H        HIS  32  -7.808  -4.176   4.419
  241    HA   HIS  32           HA       HIS  32 -10.102  -2.669   5.583
  242    HB2  HIS  32           1HB      HIS  32  -8.874  -2.508   2.807
  243    HB3  HIS  32           2HB      HIS  32 -10.110  -1.450   3.478
  244    HD1  HIS  32           1HD      HIS  32  -8.971  -0.372   6.081
  245    HD2  HIS  32           2HD      HIS  32  -6.638  -1.252   2.698
  246    HE1  HIS  32           1HE      HIS  32  -6.862   1.014   6.321
  247    H    GLY  33           H        GLY  33  -9.396  -4.956   2.887
  248    HA2  GLY  33           1HA      GLY  33 -12.268  -5.319   2.297
  249    HA3  GLY  33           2HA      GLY  33 -10.902  -5.982   1.411
  250    H    ASP  34           H        ASP  34 -13.473  -6.834   3.302
  251    HA   ASP  34           HA       ASP  34 -12.266  -9.044   4.785
  252    HB2  ASP  34           1HB      ASP  34 -14.497  -9.440   5.587
  253    HB3  ASP  34           2HB      ASP  34 -14.115  -7.725   5.702
  254    H    LYS  35           H        LYS  35 -14.196  -8.706   1.861
  255    HA   LYS  35           HA       LYS  35 -13.363 -11.406   0.922
  256    HB2  LYS  35           1HB      LYS  35 -15.658 -11.946   0.230
  257    HB3  LYS  35           2HB      LYS  35 -15.536 -11.706   1.971
  258    HG2  LYS  35           1HG      LYS  35 -16.431  -9.372   1.686
  259    HG3  LYS  35           2HG      LYS  35 -16.637  -9.684  -0.041
  260    HD2  LYS  35           1HD      LYS  35 -18.280 -11.356   0.344
  261    HD3  LYS  35           2HD      LYS  35 -17.902 -11.475   2.071
  262    HE2  LYS  35           1HE      LYS  35 -18.881  -8.873   0.857
  263    HE3  LYS  35           2HE      LYS  35 -20.028 -10.139   1.309
  264    HZ1  LYS  35           3HZ      LYS  35 -18.048  -9.029   3.242
  265    HZ2  LYS  35           1HZ      LYS  35 -19.286 -10.025   3.567
  266    HZ3  LYS  35           2HZ      LYS  35 -19.596  -8.491   3.112
  267    H    TRP  36           H        TRP  36 -12.857  -8.444   0.269
  268    HA   TRP  36           HA       TRP  36 -13.584  -8.406  -2.628
  269    HB2  TRP  36           1HB      TRP  36 -13.159  -6.053  -0.774
  270    HB3  TRP  36           2HB      TRP  36 -13.692  -6.005  -2.446
  271    HD1  TRP  36           1HD      TRP  36 -15.005  -5.864   0.923
  272    HE1  TRP  36           1HE      TRP  36 -17.533  -6.232   1.029
  273    HE3  TRP  36           3HE      TRP  36 -15.722  -7.816  -3.760
  274    HZ2  TRP  36           2HZ      TRP  36 -19.619  -7.240  -0.707
  275    HZ3  TRP  36           3HZ      TRP  36 -17.995  -8.494  -4.498
  276    HH2  TRP  36           2HH      TRP  36 -19.948  -8.211  -2.985
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1   9.348  13.150   8.558
    2    H2   GLY   1           2H       GLY   1   8.830  12.660   7.083
    3    H3   GLY   1           3H       GLY   1   8.888  14.257   7.442
    4    HA2  GLY   1           1HA      GLY   1  11.286  14.208   7.599
    5    HA3  GLY   1           2HA      GLY   1  11.230  12.473   7.236
    6    H    SER   2           H        SER   2  12.345  14.981   5.814
    7    HA   SER   2           HA       SER   2  10.824  15.271   3.377
    8    HB2  SER   2           1HB      SER   2  13.658  16.166   4.002
    9    HB3  SER   2           2HB      SER   2  12.615  16.769   2.699
   10    HG   SER   2           HG       SER   2  12.580  18.143   4.543
   11    H    SER   3           H        SER   3  13.029  12.829   4.249
   12    HA   SER   3           HA       SER   3  13.193  11.824   1.484
   13    HB2  SER   3           1HB      SER   3  15.225  13.293   1.897
   14    HB3  SER   3           2HB      SER   3  15.717  12.140   3.152
   15    HG   SER   3           HG       SER   3  16.648  11.715   1.063
   16    H    GLY   4           H        GLY   4  14.287   9.598   1.510
   17    HA2  GLY   4           1HA      GLY   4  14.163   8.019   3.953
   18    HA3  GLY   4           2HA      GLY   4  12.808   7.697   2.870
   19    H    SER   5           H        SER   5  14.576   5.715   3.575
   20    HA   SER   5           HA       SER   5  16.858   5.453   1.889
   21    HB2  SER   5           1HB      SER   5  15.396   3.289   3.441
   22    HB3  SER   5           2HB      SER   5  17.079   3.243   2.892
   23    HG   SER   5           HG       SER   5  17.544   4.973   4.289
   24    H    SER   6           H        SER   6  13.588   4.760   1.102
   25    HA   SER   6           HA       SER   6  14.387   3.415  -1.424
   26    HB2  SER   6           1HB      SER   6  12.399   2.298   0.594
   27    HB3  SER   6           2HB      SER   6  12.391   1.855  -1.118
   28    HG   SER   6           HG       SER   6  14.607   1.553   0.650
   29    H    GLY   7           H        GLY   7  13.038   3.807  -3.142
   30    HA2  GLY   7           1HA      GLY   7  11.008   5.919  -2.992
   31    HA3  GLY   7           2HA      GLY   7  11.452   4.970  -4.415
   32    H    LEU   8           H        LEU   8   8.815   5.694  -3.143
   33    HA   LEU   8           HA       LEU   8   7.660   2.946  -2.882
   34    HB2  LEU   8           1HB      LEU   8   6.533   5.536  -1.787
   35    HB3  LEU   8           2HB      LEU   8   5.861   3.917  -1.591
   36    HG   LEU   8           HG       LEU   8   8.516   4.908  -0.445
   37   HD11  LEU   8          1HD1      LEU   8   7.386   4.728   1.714
   38   HD12  LEU   8          2HD1      LEU   8   5.888   4.212   0.914
   39   HD13  LEU   8          3HD1      LEU   8   6.523   5.849   0.649
   40   HD21  LEU   8          3HD2      LEU   8   7.128   2.228  -0.028
   41   HD22  LEU   8          1HD2      LEU   8   8.581   2.795   0.814
   42   HD23  LEU   8          2HD2      LEU   8   8.651   2.469  -0.915
   43    H    LEU   9           H        LEU   9   6.176   2.322  -4.211
   44    HA   LEU   9           HA       LEU   9   5.535   4.062  -6.576
   45    HB2  LEU   9           1HB      LEU   9   6.183   1.105  -6.301
   46    HB3  LEU   9           2HB      LEU   9   5.626   1.845  -7.790
   47    HG   LEU   9           HG       LEU   9   8.222   2.528  -6.326
   48   HD11  LEU   9          1HD1      LEU   9   7.725   0.981  -8.902
   49   HD12  LEU   9          2HD1      LEU   9   8.224   0.285  -7.343
   50   HD13  LEU   9          3HD1      LEU   9   9.312   1.383  -8.206
   51   HD21  LEU   9          3HD2      LEU   9   7.166   3.472  -9.028
   52   HD22  LEU   9          1HD2      LEU   9   8.816   3.736  -8.421
   53   HD23  LEU   9          2HD2      LEU   9   7.450   4.483  -7.591
   54    H    TYR  10           H        TYR  10   4.096   1.882  -4.251
   55    HA   TYR  10           HA       TYR  10   1.511   1.885  -5.771
   56    HB2  TYR  10           1HB      TYR  10   2.600  -0.220  -3.872
   57    HB3  TYR  10           2HB      TYR  10   1.057  -0.274  -4.690
   58    HD1  TYR  10           1HD      TYR  10   4.722  -0.500  -5.162
   59    HD2  TYR  10           2HD      TYR  10   0.872  -0.755  -7.087
   60    HE1  TYR  10           1HE      TYR  10   5.808  -1.414  -7.216
   61    HE2  TYR  10           2HE      TYR  10   1.946  -1.706  -9.116
   62    HH   TYR  10           HH       TYR  10   3.917  -2.308 -10.127
   63    H    ASP  11           H        ASP  11  -0.400   2.306  -4.714
   64    HA   ASP  11           HA       ASP  11  -0.178   3.373  -1.936
   65    HB2  ASP  11           1HB      ASP  11  -1.389   5.298  -2.551
   66    HB3  ASP  11           2HB      ASP  11  -0.052   5.134  -3.679
   67    H    CYS  12           H        CYS  12  -1.798   3.225  -0.578
   68    HA   CYS  12           HA       CYS  12  -4.074   1.432  -1.059
   69    HB2  CYS  12           1HB      CYS  12  -2.844   1.333   1.028
   70    HB3  CYS  12           2HB      CYS  12  -3.101   3.067   1.309
   71    H    HIS  13           H        HIS  13  -6.075   2.066  -1.572
   72    HA   HIS  13           HA       HIS  13  -6.706   4.948  -1.835
   73    HB2  HIS  13           1HB      HIS  13  -8.564   4.246  -3.224
   74    HB3  HIS  13           2HB      HIS  13  -7.028   3.625  -3.802
   75    HD1  HIS  13           1HD      HIS  13  -6.876   1.006  -4.102
   76    HD2  HIS  13           2HD      HIS  13 -10.287   2.402  -2.076
   77    HE1  HIS  13           1HE      HIS  13  -8.446  -0.992  -3.885
   78    H    ILE  14           H        ILE  14  -6.919   2.892   0.685
   79    HA   ILE  14           HA       ILE  14  -9.593   3.857   1.631
   80    HB   ILE  14           HB       ILE  14  -7.835   1.780   2.898
   81   HG12  ILE  14          1HG1      ILE  14  -8.426   0.942   0.680
   82   HG13  ILE  14          2HG1      ILE  14  -9.196   0.041   1.962
   83   HG21  ILE  14          1HG2      ILE  14  -9.402   2.681   4.482
   84   HG22  ILE  14          2HG2      ILE  14 -10.741   2.565   3.322
   85   HG23  ILE  14          3HG2      ILE  14 -10.003   1.097   3.993
   86   HD11  ILE  14          3HD1      ILE  14 -10.595   2.141   0.290
   87   HD12  ILE  14          1HD1      ILE  14 -10.672   0.375   0.064
   88   HD13  ILE  14          2HD1      ILE  14 -11.335   1.100   1.537
   89    H    CYS  15           H        CYS  15  -6.139   3.745   2.538
   90    HA   CYS  15           HA       CYS  15  -6.594   5.834   4.602
   91    HB2  CYS  15           1HB      CYS  15  -5.377   4.695   6.222
   92    HB3  CYS  15           2HB      CYS  15  -6.667   3.645   5.636
   93    H    GLU  16           H        GLU  16  -5.043   5.326   1.864
   94    HA   GLU  16           HA       GLU  16  -3.484   6.456   0.737
   95    HB2  GLU  16           1HB      GLU  16  -4.711   8.238   2.308
   96    HB3  GLU  16           2HB      GLU  16  -3.069   8.467   2.906
   97    HG2  GLU  16           1HG      GLU  16  -2.332   8.806   0.493
   98    HG3  GLU  16           2HG      GLU  16  -4.020   8.648   0.010
   99    H    ARG  17           H        ARG  17  -2.526   4.612   3.140
  100    HA   ARG  17           HA       ARG  17   0.304   5.160   3.377
  101    HB2  ARG  17           1HB      ARG  17  -1.539   2.858   3.926
  102    HB3  ARG  17           2HB      ARG  17   0.145   2.432   3.621
  103    HG2  ARG  17           1HG      ARG  17   0.971   3.834   5.361
  104    HG3  ARG  17           2HG      ARG  17  -0.609   4.590   5.628
  105    HD2  ARG  17           1HD      ARG  17  -0.210   1.593   5.945
  106    HD3  ARG  17           2HD      ARG  17   0.195   2.728   7.230
  107    HE   ARG  17           HE       ARG  17  -2.524   2.904   6.001
  108   HH11  ARG  17          2HH1      ARG  17  -0.757   2.034   8.913
  109   HH12  ARG  17          1HH1      ARG  17  -2.211   2.066   9.873
  110   HH21  ARG  17          2HH2      ARG  17  -4.234   2.884   7.186
  111   HH22  ARG  17          1HH2      ARG  17  -4.177   2.555   8.914
  112    H    LYS  18           H        LYS  18   2.038   4.037   2.435
  113    HA   LYS  18           HA       LYS  18   1.616   3.178  -0.385
  114    HB2  LYS  18           1HB      LYS  18   3.344   5.500   0.506
  115    HB3  LYS  18           2HB      LYS  18   3.528   4.692  -1.057
  116    HG2  LYS  18           1HG      LYS  18   1.370   5.268  -1.806
  117    HG3  LYS  18           2HG      LYS  18   0.854   5.870  -0.232
  118    HD2  LYS  18           1HD      LYS  18   3.114   7.100  -1.845
  119    HD3  LYS  18           2HD      LYS  18   1.440   7.649  -1.951
  120    HE2  LYS  18           1HE      LYS  18   3.001   7.532   0.666
  121    HE3  LYS  18           2HE      LYS  18   2.979   8.955  -0.378
  122    HZ1  LYS  18           3HZ      LYS  18   1.294   9.124   1.356
  123    HZ2  LYS  18           1HZ      LYS  18   0.545   7.756   0.876
  124    HZ3  LYS  18           2HZ      LYS  18   0.567   9.070  -0.099
  125    H    PHE  19           H        PHE  19   3.247   2.098  -1.379
  126    HA   PHE  19           HA       PHE  19   5.211   0.714   0.409
  127    HB2  PHE  19           1HB      PHE  19   3.160  -0.596  -1.389
  128    HB3  PHE  19           2HB      PHE  19   4.318  -1.421  -0.380
  129    HD1  PHE  19           1HD      PHE  19   4.086  -1.466   2.106
  130    HD2  PHE  19           2HD      PHE  19   1.128   0.397  -0.411
  131    HE1  PHE  19           1HE      PHE  19   2.529  -1.337   4.035
  132    HE2  PHE  19           2HE      PHE  19  -0.420   0.564   1.537
  133    HZ   PHE  19           HZ       PHE  19   0.289  -0.298   3.764
  134    H    LYS  20           H        LYS  20   6.672  -0.713  -0.649
  135    HA   LYS  20           HA       LYS  20   7.885   0.537  -2.969
  136    HB2  LYS  20           1HB      LYS  20   9.039  -0.311  -0.885
  137    HB3  LYS  20           2HB      LYS  20   8.759  -1.961  -1.447
  138    HG2  LYS  20           1HG      LYS  20  10.092  -1.558  -3.455
  139    HG3  LYS  20           2HG      LYS  20  10.211   0.168  -3.070
  140    HD2  LYS  20           1HD      LYS  20  11.433  -0.461  -0.938
  141    HD3  LYS  20           2HD      LYS  20  11.463  -2.141  -1.526
  142    HE2  LYS  20           1HE      LYS  20  12.630  -1.381  -3.588
  143    HE3  LYS  20           2HE      LYS  20  12.555   0.292  -3.008
  144    HZ1  LYS  20           3HZ      LYS  20  14.007  -1.890  -1.601
  145    HZ2  LYS  20           1HZ      LYS  20  13.985  -0.306  -1.166
  146    HZ3  LYS  20           2HZ      LYS  20  14.719  -0.766  -2.548
  147    H    ASN  21           H        ASN  21   6.445  -2.638  -2.357
  148    HA   ASN  21           HA       ASN  21   6.428  -3.191  -5.308
  149    HB2  ASN  21           1HB      ASN  21   6.152  -5.195  -3.036
  150    HB3  ASN  21           2HB      ASN  21   6.196  -5.560  -4.753
  151   HD21  ASN  21          1HD2      ASN  21   8.063  -4.821  -1.943
  152   HD22  ASN  21          2HD2      ASN  21   9.625  -5.160  -2.694
  153    H    GLU  22           H        GLU  22   4.585  -4.234  -6.197
  154    HA   GLU  22           HA       GLU  22   2.015  -3.228  -5.416
  155    HB2  GLU  22           1HB      GLU  22   2.791  -4.081  -7.720
  156    HB3  GLU  22           2HB      GLU  22   2.585  -5.711  -7.094
  157    HG2  GLU  22           1HG      GLU  22   0.190  -5.250  -6.667
  158    HG3  GLU  22           2HG      GLU  22   0.401  -3.579  -7.190
  159    H    LEU  23           H        LEU  23   3.683  -6.307  -4.830
  160    HA   LEU  23           HA       LEU  23   1.670  -7.734  -3.456
  161    HB2  LEU  23           1HB      LEU  23   3.696  -8.784  -4.270
  162    HB3  LEU  23           2HB      LEU  23   4.708  -7.739  -3.269
  163    HG   LEU  23           HG       LEU  23   3.830  -8.796  -1.223
  164   HD11  LEU  23          1HD1      LEU  23   2.544 -10.916  -1.379
  165   HD12  LEU  23          2HD1      LEU  23   2.342 -10.656  -3.126
  166   HD13  LEU  23          3HD1      LEU  23   1.604  -9.537  -1.955
  167   HD21  LEU  23          3HD2      LEU  23   5.870  -9.651  -2.298
  168   HD22  LEU  23          1HD2      LEU  23   4.897 -10.779  -3.269
  169   HD23  LEU  23          2HD2      LEU  23   4.971 -10.951  -1.499
  170    H    ASP  24           H        ASP  24   4.230  -5.595  -2.064
  171    HA   ASP  24           HA       ASP  24   3.507  -5.870   0.650
  172    HB2  ASP  24           1HB      ASP  24   4.707  -3.514  -0.836
  173    HB3  ASP  24           2HB      ASP  24   4.632  -3.634   0.924
  174    H    ARG  25           H        ARG  25   2.108  -3.737  -1.772
  175    HA   ARG  25           HA       ARG  25   0.326  -2.366   0.131
  176    HB2  ARG  25           1HB      ARG  25   1.316  -1.338  -1.949
  177    HB3  ARG  25           2HB      ARG  25   0.349  -2.364  -2.922
  178    HG2  ARG  25           1HG      ARG  25  -0.838  -0.424  -0.852
  179    HG3  ARG  25           2HG      ARG  25  -0.417   0.064  -2.494
  180    HD2  ARG  25           1HD      ARG  25  -2.551  -1.876  -1.619
  181    HD3  ARG  25           2HD      ARG  25  -2.749  -0.331  -2.421
  182    HE   ARG  25           HE       ARG  25  -1.458  -2.739  -3.617
  183   HH11  ARG  25          2HH1      ARG  25  -2.958   0.356  -4.305
  184   HH12  ARG  25          1HH1      ARG  25  -3.342  -0.111  -5.944
  185   HH21  ARG  25          2HH2      ARG  25  -2.236  -3.364  -5.536
  186   HH22  ARG  25          1HH2      ARG  25  -2.842  -2.174  -6.682
  187    H    ASP  26           H        ASP  26  -0.025  -4.899  -2.359
  188    HA   ASP  26           HA       ASP  26  -2.824  -5.197  -2.169
  189    HB2  ASP  26           1HB      ASP  26  -0.556  -6.977  -3.077
  190    HB3  ASP  26           2HB      ASP  26  -2.168  -7.634  -2.931
  191    H    ARG  27           H        ARG  27  -0.269  -6.881  -0.232
  192    HA   ARG  27           HA       ARG  27  -2.288  -8.328   1.303
  193    HB2  ARG  27           1HB      ARG  27  -0.578  -9.061   2.753
  194    HB3  ARG  27           2HB      ARG  27  -0.075  -9.273   1.079
  195    HG2  ARG  27           1HG      ARG  27   1.515  -7.520   1.208
  196    HG3  ARG  27           2HG      ARG  27   0.812  -6.828   2.657
  197    HD2  ARG  27           1HD      ARG  27   1.432  -8.953   3.900
  198    HD3  ARG  27           2HD      ARG  27   2.289  -9.501   2.459
  199    HE   ARG  27           HE       ARG  27   3.093  -7.416   4.374
  200   HH11  ARG  27          2HH1      ARG  27   3.826  -8.732   1.183
  201   HH12  ARG  27          1HH1      ARG  27   5.199  -7.630   1.024
  202   HH21  ARG  27          1HH2      ARG  27   4.979  -6.205   4.044
  203   HH22  ARG  27          2HH2      ARG  27   5.788  -6.368   2.487
  204    H    HIS  28           H        HIS  28  -0.989  -5.097   1.639
  205    HA   HIS  28           HA       HIS  28  -2.041  -4.689   4.335
  206    HB2  HIS  28           1HB      HIS  28  -0.328  -3.216   3.679
  207    HB3  HIS  28           2HB      HIS  28  -1.054  -2.869   2.122
  208    HD1  HIS  28           1HD      HIS  28  -1.557  -1.976   5.821
  209    HD2  HIS  28           2HD      HIS  28  -2.951  -1.032   1.967
  210    HE1  HIS  28           1HE      HIS  28  -3.055   0.047   6.107
  211    H    MET  29           H        MET  29  -3.508  -4.311   1.027
  212    HA   MET  29           HA       MET  29  -5.890  -3.104   1.915
  213    HB2  MET  29           1HB      MET  29  -5.738  -5.185  -0.287
  214    HB3  MET  29           2HB      MET  29  -6.951  -3.931  -0.083
  215    HG2  MET  29           1HG      MET  29  -4.056  -3.606  -0.867
  216    HG3  MET  29           2HG      MET  29  -5.467  -3.254  -1.835
  217    HE1  MET  29           3HE      MET  29  -6.906  -1.191  -1.704
  218    HE2  MET  29           1HE      MET  29  -7.385  -1.456  -0.013
  219    HE3  MET  29           2HE      MET  29  -6.748   0.126  -0.523
  220    H    LEU  30           H        LEU  30  -4.893  -6.396   2.482
  221    HA   LEU  30           HA       LEU  30  -7.413  -7.608   3.068
  222    HB2  LEU  30           1HB      LEU  30  -4.709  -8.136   4.359
  223    HB3  LEU  30           2HB      LEU  30  -6.085  -9.214   4.357
  224    HG   LEU  30           HG       LEU  30  -4.498  -8.391   1.884
  225   HD11  LEU  30          1HD1      LEU  30  -4.598 -11.033   3.396
  226   HD12  LEU  30          2HD1      LEU  30  -3.252  -9.873   3.421
  227   HD13  LEU  30          3HD1      LEU  30  -3.673 -10.700   1.913
  228   HD21  LEU  30          3HD2      LEU  30  -6.745 -10.423   2.184
  229   HD22  LEU  30          1HD2      LEU  30  -5.729 -10.196   0.739
  230   HD23  LEU  30          2HD2      LEU  30  -6.811  -8.901   1.262
  231    H    VAL  31           H        VAL  31  -5.499  -5.311   4.966
  232    HA   VAL  31           HA       VAL  31  -6.854  -5.846   7.480
  233    HB   VAL  31           HB       VAL  31  -5.772  -4.073   8.419
  234   HG11  VAL  31          1HG1      VAL  31  -3.813  -4.869   6.264
  235   HG12  VAL  31          2HG1      VAL  31  -3.459  -4.237   7.878
  236   HG13  VAL  31          3HG1      VAL  31  -4.217  -5.830   7.702
  237   HG21  VAL  31          3HG2      VAL  31  -6.343  -2.164   7.198
  238   HG22  VAL  31          1HG2      VAL  31  -4.582  -2.237   7.175
  239   HG23  VAL  31          2HG2      VAL  31  -5.513  -2.713   5.740
  240    H    HIS  32           H        HIS  32  -7.675  -4.012   4.676
  241    HA   HIS  32           HA       HIS  32  -9.963  -2.631   5.965
  242    HB2  HIS  32           1HB      HIS  32  -9.021  -2.558   3.078
  243    HB3  HIS  32           2HB      HIS  32 -10.174  -1.476   3.851
  244    HD1  HIS  32           1HD      HIS  32  -8.678  -0.440   6.341
  245    HD2  HIS  32           2HD      HIS  32  -6.921  -1.145   2.587
  246    HE1  HIS  32           1HE      HIS  32  -6.595   1.006   6.281
  247    H    GLY  33           H        GLY  33  -9.293  -5.242   3.645
  248    HA2  GLY  33           1HA      GLY  33 -10.580  -7.104   3.118
  249    HA3  GLY  33           2HA      GLY  33 -11.881  -6.502   4.138
  250    H    ASP  34           H        ASP  34 -13.102  -7.442   2.318
  251    HA   ASP  34           HA       ASP  34 -13.725  -5.413   0.227
  252    HB2  ASP  34           1HB      ASP  34 -12.205  -7.167  -0.686
  253    HB3  ASP  34           2HB      ASP  34 -13.413  -8.388  -0.324
  254    H    LYS  35           H        LYS  35 -15.284  -8.516   0.181
  255    HA   LYS  35           HA       LYS  35 -17.398  -9.238   0.593
  256    HB2  LYS  35           1HB      LYS  35 -17.110  -7.700   3.194
  257    HB3  LYS  35           2HB      LYS  35 -18.160  -9.084   2.902
  258    HG2  LYS  35           1HG      LYS  35 -15.118  -9.140   2.807
  259    HG3  LYS  35           2HG      LYS  35 -16.114  -9.641   4.175
  260    HD2  LYS  35           1HD      LYS  35 -17.168 -11.406   2.752
  261    HD3  LYS  35           2HD      LYS  35 -16.086 -10.947   1.416
  262    HE2  LYS  35           1HE      LYS  35 -14.115 -11.451   2.834
  263    HE3  LYS  35           2HE      LYS  35 -15.183 -11.902   4.169
  264    HZ1  LYS  35           3HZ      LYS  35 -16.061 -13.701   2.775
  265    HZ2  LYS  35           1HZ      LYS  35 -14.446 -13.856   2.933
  266    HZ3  LYS  35           2HZ      LYS  35 -15.072 -13.286   1.540
  267    H    TRP  36           H        TRP  36 -17.232  -6.710  -0.796
  268    HA   TRP  36           HA       TRP  36 -19.431  -5.004  -0.130
  269    HB2  TRP  36           1HB      TRP  36 -18.115  -5.375  -2.829
  270    HB3  TRP  36           2HB      TRP  36 -19.107  -4.015  -2.326
  271    HD1  TRP  36           1HD      TRP  36 -15.683  -4.849  -2.804
  272    HE1  TRP  36           1HE      TRP  36 -14.054  -3.329  -1.523
  273    HE3  TRP  36           3HE      TRP  36 -18.993  -2.713   0.470
  274    HZ2  TRP  36           2HZ      TRP  36 -14.172  -1.459   0.672
  275    HZ3  TRP  36           3HZ      TRP  36 -18.203  -1.060   2.147
  276    HH2  TRP  36           2HH      TRP  36 -15.801  -0.426   2.261
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  12.365  21.448  -3.329
    2    H2   GLY   1           2H       GLY   1  13.064  21.898  -4.736
    3    H3   GLY   1           3H       GLY   1  13.999  21.449  -3.467
    4    HA2  GLY   1           1HA      GLY   1  13.931  19.684  -5.097
    5    HA3  GLY   1           2HA      GLY   1  13.186  19.194  -3.565
    6    H    SER   2           H        SER   2  12.581  17.809  -5.842
    7    HA   SER   2           HA       SER   2  10.171  18.752  -7.162
    8    HB2  SER   2           1HB      SER   2  11.751  17.209  -8.236
    9    HB3  SER   2           2HB      SER   2  11.372  15.964  -7.027
   10    HG   SER   2           HG       SER   2  10.181  15.820  -9.055
   11    H    SER   3           H        SER   3   8.061  18.036  -6.955
   12    HA   SER   3           HA       SER   3   7.170  17.013  -4.335
   13    HB2  SER   3           1HB      SER   3   4.912  17.464  -5.249
   14    HB3  SER   3           2HB      SER   3   5.972  18.884  -5.277
   15    HG   SER   3           HG       SER   3   4.824  18.605  -7.258
   16    H    GLY   4           H        GLY   4   8.084  15.613  -7.316
   17    HA2  GLY   4           1HA      GLY   4   6.180  13.454  -7.499
   18    HA3  GLY   4           2HA      GLY   4   7.747  13.543  -8.297
   19    H    SER   5           H        SER   5   6.268  11.353  -6.809
   20    HA   SER   5           HA       SER   5   7.810  10.719  -4.442
   21    HB2  SER   5           1HB      SER   5   6.007   8.928  -6.108
   22    HB3  SER   5           2HB      SER   5   6.573   8.610  -4.461
   23    HG   SER   5           HG       SER   5   5.416  10.464  -3.768
   24    H    SER   6           H        SER   6   9.273   9.043  -4.094
   25    HA   SER   6           HA       SER   6  10.279   7.422  -6.336
   26    HB2  SER   6           1HB      SER   6  12.630   7.890  -5.814
   27    HB3  SER   6           2HB      SER   6  11.784   9.335  -6.385
   28    HG   SER   6           HG       SER   6  13.095   9.775  -4.554
   29    H    GLY   7           H        GLY   7  11.379   5.514  -5.659
   30    HA2  GLY   7           1HA      GLY   7  11.787   3.674  -4.299
   31    HA3  GLY   7           2HA      GLY   7  11.510   4.683  -2.870
   32    H    LEU   8           H        LEU   8   8.981   5.527  -3.148
   33    HA   LEU   8           HA       LEU   8   7.318   3.112  -2.770
   34    HB2  LEU   8           1HB      LEU   8   6.776   6.078  -2.349
   35    HB3  LEU   8           2HB      LEU   8   5.658   4.774  -1.945
   36    HG   LEU   8           HG       LEU   8   8.435   5.097  -0.698
   37   HD11  LEU   8          1HD1      LEU   8   7.220   5.904   1.281
   38   HD12  LEU   8          2HD1      LEU   8   5.694   5.873   0.359
   39   HD13  LEU   8          3HD1      LEU   8   7.004   6.972  -0.116
   40   HD21  LEU   8          3HD2      LEU   8   7.562   3.510   0.993
   41   HD22  LEU   8          1HD2      LEU   8   7.619   2.770  -0.612
   42   HD23  LEU   8          2HD2      LEU   8   6.070   3.333   0.050
   43    H    LEU   9           H        LEU   9   6.018   2.378  -4.219
   44    HA   LEU   9           HA       LEU   9   5.462   3.945  -6.720
   45    HB2  LEU   9           1HB      LEU   9   6.228   1.039  -6.273
   46    HB3  LEU   9           2HB      LEU   9   5.621   1.647  -7.802
   47    HG   LEU   9           HG       LEU   9   8.191   2.555  -6.420
   48   HD11  LEU   9          1HD1      LEU   9   8.297   0.253  -7.296
   49   HD12  LEU   9          2HD1      LEU   9   9.320   1.346  -8.238
   50   HD13  LEU   9          3HD1      LEU   9   7.749   0.822  -8.888
   51   HD21  LEU   9          3HD2      LEU   9   8.706   3.645  -8.604
   52   HD22  LEU   9          1HD2      LEU   9   7.320   4.383  -7.802
   53   HD23  LEU   9          2HD2      LEU   9   7.061   3.267  -9.164
   54    H    TYR  10           H        TYR  10   4.064   1.893  -4.277
   55    HA   TYR  10           HA       TYR  10   1.454   1.815  -5.745
   56    HB2  TYR  10           1HB      TYR  10   2.607  -0.246  -3.833
   57    HB3  TYR  10           2HB      TYR  10   1.058  -0.337  -4.640
   58    HD1  TYR  10           1HD      TYR  10   4.722  -0.515  -5.115
   59    HD2  TYR  10           2HD      TYR  10   0.875  -0.866  -7.031
   60    HE1  TYR  10           1HE      TYR  10   5.821  -1.444  -7.160
   61    HE2  TYR  10           2HE      TYR  10   1.963  -1.824  -9.051
   62    HH   TYR  10           HH       TYR  10   3.943  -2.409 -10.055
   63    H    ASP  11           H        ASP  11  -0.421   2.227  -4.634
   64    HA   ASP  11           HA       ASP  11  -0.166   3.269  -1.856
   65    HB2  ASP  11           1HB      ASP  11  -1.345   5.243  -2.437
   66    HB3  ASP  11           2HB      ASP  11   0.027   5.083  -3.525
   67    H    CYS  12           H        CYS  12  -1.854   3.276  -0.555
   68    HA   CYS  12           HA       CYS  12  -4.155   1.494  -1.031
   69    HB2  CYS  12           1HB      CYS  12  -2.911   1.345   1.034
   70    HB3  CYS  12           2HB      CYS  12  -3.075   3.084   1.321
   71    H    HIS  13           H        HIS  13  -6.233   2.191  -1.341
   72    HA   HIS  13           HA       HIS  13  -6.678   5.100  -1.752
   73    HB2  HIS  13           1HB      HIS  13  -8.529   4.558  -3.116
   74    HB3  HIS  13           2HB      HIS  13  -7.142   3.619  -3.627
   75    HD1  HIS  13           1HD      HIS  13  -7.535   1.036  -3.828
   76    HD2  HIS  13           2HD      HIS  13 -10.539   3.159  -1.787
   77    HE1  HIS  13           1HE      HIS  13  -9.460  -0.602  -3.485
   78    H    ILE  14           H        ILE  14  -6.981   3.135   0.832
   79    HA   ILE  14           HA       ILE  14  -9.581   4.295   1.775
   80    HB   ILE  14           HB       ILE  14  -8.068   1.887   2.847
   81   HG12  ILE  14          1HG1      ILE  14 -10.312   0.799   1.906
   82   HG13  ILE  14          2HG1      ILE  14 -10.248   2.137   0.759
   83   HG21  ILE  14          1HG2      ILE  14 -10.860   2.955   3.441
   84   HG22  ILE  14          2HG2      ILE  14 -10.178   1.431   4.050
   85   HG23  ILE  14          3HG2      ILE  14  -9.469   2.959   4.556
   86   HD11  ILE  14          3HD1      ILE  14  -8.052   0.074   1.254
   87   HD12  ILE  14          1HD1      ILE  14  -9.234   0.018  -0.059
   88   HD13  ILE  14          2HD1      ILE  14  -8.037   1.322  -0.008
   89    H    CYS  15           H        CYS  15  -6.229   3.718   2.772
   90    HA   CYS  15           HA       CYS  15  -6.481   5.892   4.803
   91    HB2  CYS  15           1HB      CYS  15  -5.207   4.740   6.353
   92    HB3  CYS  15           2HB      CYS  15  -6.519   3.684   5.839
   93    H    GLU  16           H        GLU  16  -5.110   5.308   1.980
   94    HA   GLU  16           HA       GLU  16  -3.621   6.431   0.742
   95    HB2  GLU  16           1HB      GLU  16  -4.733   8.233   2.415
   96    HB3  GLU  16           2HB      GLU  16  -3.034   8.481   2.812
   97    HG2  GLU  16           1HG      GLU  16  -2.589   8.733   0.312
   98    HG3  GLU  16           2HG      GLU  16  -4.326   8.593   0.047
   99    H    ARG  17           H        ARG  17  -2.530   4.680   3.196
  100    HA   ARG  17           HA       ARG  17   0.284   5.243   3.326
  101    HB2  ARG  17           1HB      ARG  17  -1.351   2.717   3.779
  102    HB3  ARG  17           2HB      ARG  17   0.407   2.747   3.967
  103    HG2  ARG  17           1HG      ARG  17   0.263   4.528   5.652
  104    HG3  ARG  17           2HG      ARG  17  -1.501   4.573   5.466
  105    HD2  ARG  17           1HD      ARG  17  -1.597   2.174   6.137
  106    HD3  ARG  17           2HD      ARG  17   0.147   2.169   6.358
  107    HE   ARG  17           HE       ARG  17  -0.040   3.327   8.350
  108   HH11  ARG  17          2HH1      ARG  17  -3.283   3.413   6.886
  109   HH12  ARG  17          1HH1      ARG  17  -3.974   3.951   8.386
  110   HH21  ARG  17          2HH2      ARG  17  -1.053   4.053  10.159
  111   HH22  ARG  17          1HH2      ARG  17  -2.768   4.330  10.154
  112    H    LYS  18           H        LYS  18   1.968   3.864   2.560
  113    HA   LYS  18           HA       LYS  18   1.643   3.085  -0.303
  114    HB2  LYS  18           1HB      LYS  18   3.502   5.295   0.655
  115    HB3  LYS  18           2HB      LYS  18   3.483   4.593  -0.978
  116    HG2  LYS  18           1HG      LYS  18   1.068   5.238  -1.173
  117    HG3  LYS  18           2HG      LYS  18   1.224   6.095   0.377
  118    HD2  LYS  18           1HD      LYS  18   2.913   7.591  -0.574
  119    HD3  LYS  18           2HD      LYS  18   2.876   6.674  -2.099
  120    HE2  LYS  18           1HE      LYS  18   1.498   8.601  -2.406
  121    HE3  LYS  18           2HE      LYS  18   0.478   7.152  -2.341
  122    HZ1  LYS  18           3HZ      LYS  18  -0.454   8.986  -1.006
  123    HZ2  LYS  18           1HZ      LYS  18   0.886   9.057  -0.084
  124    HZ3  LYS  18           2HZ      LYS  18  -0.080   7.738  -0.014
  125    H    PHE  19           H        PHE  19   3.258   2.062  -1.323
  126    HA   PHE  19           HA       PHE  19   5.272   0.654   0.394
  127    HB2  PHE  19           1HB      PHE  19   3.233  -0.674  -1.409
  128    HB3  PHE  19           2HB      PHE  19   4.398  -1.486  -0.392
  129    HD1  PHE  19           1HD      PHE  19   4.134  -1.558   2.086
  130    HD2  PHE  19           2HD      PHE  19   1.209   0.360  -0.426
  131    HE1  PHE  19           1HE      PHE  19   2.581  -1.398   4.017
  132    HE2  PHE  19           2HE      PHE  19  -0.333   0.559   1.520
  133    HZ   PHE  19           HZ       PHE  19   0.361  -0.313   3.743
  134    H    LYS  20           H        LYS  20   6.820  -0.624  -0.705
  135    HA   LYS  20           HA       LYS  20   7.877   0.636  -3.110
  136    HB2  LYS  20           1HB      LYS  20   8.867  -1.816  -1.583
  137    HB3  LYS  20           2HB      LYS  20   9.749  -0.917  -2.819
  138    HG2  LYS  20           1HG      LYS  20   9.582   1.133  -1.313
  139    HG3  LYS  20           2HG      LYS  20   8.923   0.054  -0.061
  140    HD2  LYS  20           1HD      LYS  20  11.002  -1.312  -0.145
  141    HD3  LYS  20           2HD      LYS  20  11.627  -0.274  -1.431
  142    HE2  LYS  20           1HE      LYS  20  12.690   0.434   0.567
  143    HE3  LYS  20           2HE      LYS  20  11.530   1.687   0.127
  144    HZ1  LYS  20           3HZ      LYS  20  11.087  -0.408   2.196
  145    HZ2  LYS  20           1HZ      LYS  20  10.021   0.777   1.823
  146    HZ3  LYS  20           2HZ      LYS  20  11.453   1.149   2.504
  147    H    ASN  21           H        ASN  21   6.331  -2.443  -2.415
  148    HA   ASN  21           HA       ASN  21   6.406  -3.164  -5.320
  149    HB2  ASN  21           1HB      ASN  21   6.202  -5.089  -2.979
  150    HB3  ASN  21           2HB      ASN  21   6.387  -5.497  -4.677
  151   HD21  ASN  21          1HD2      ASN  21   7.990  -4.765  -1.762
  152   HD22  ASN  21          2HD2      ASN  21   9.625  -4.853  -2.411
  153    H    GLU  22           H        GLU  22   4.630  -4.298  -6.156
  154    HA   GLU  22           HA       GLU  22   2.027  -3.335  -5.415
  155    HB2  GLU  22           1HB      GLU  22   2.831  -4.190  -7.705
  156    HB3  GLU  22           2HB      GLU  22   2.665  -5.821  -7.065
  157    HG2  GLU  22           1HG      GLU  22   0.256  -5.417  -6.652
  158    HG3  GLU  22           2HG      GLU  22   0.427  -3.747  -7.193
  159    H    LEU  23           H        LEU  23   3.761  -6.353  -4.777
  160    HA   LEU  23           HA       LEU  23   1.780  -7.827  -3.395
  161    HB2  LEU  23           1HB      LEU  23   3.800  -8.868  -4.125
  162    HB3  LEU  23           2HB      LEU  23   4.811  -7.729  -3.230
  163    HG   LEU  23           HG       LEU  23   4.035  -8.685  -1.083
  164   HD11  LEU  23          1HD1      LEU  23   2.819 -10.840  -1.061
  165   HD12  LEU  23          2HD1      LEU  23   2.561 -10.713  -2.818
  166   HD13  LEU  23          3HD1      LEU  23   1.815  -9.541  -1.704
  167   HD21  LEU  23          3HD2      LEU  23   5.247 -10.804  -1.270
  168   HD22  LEU  23          1HD2      LEU  23   6.069  -9.521  -2.172
  169   HD23  LEU  23          2HD2      LEU  23   5.115 -10.744  -3.043
  170    H    ASP  24           H        ASP  24   4.261  -5.578  -1.995
  171    HA   ASP  24           HA       ASP  24   3.438  -5.955   0.691
  172    HB2  ASP  24           1HB      ASP  24   4.920  -3.703  -0.689
  173    HB3  ASP  24           2HB      ASP  24   4.628  -3.726   1.055
  174    H    ARG  25           H        ARG  25   2.180  -3.756  -1.732
  175    HA   ARG  25           HA       ARG  25   0.383  -2.359   0.137
  176    HB2  ARG  25           1HB      ARG  25   1.365  -1.373  -1.977
  177    HB3  ARG  25           2HB      ARG  25   0.376  -2.411  -2.915
  178    HG2  ARG  25           1HG      ARG  25  -0.751  -0.413  -0.862
  179    HG3  ARG  25           2HG      ARG  25  -0.389   0.016  -2.533
  180    HD2  ARG  25           1HD      ARG  25  -2.470  -1.906  -1.513
  181    HD3  ARG  25           2HD      ARG  25  -2.724  -0.384  -2.334
  182    HE   ARG  25           HE       ARG  25  -1.452  -2.793  -3.550
  183   HH11  ARG  25          2HH1      ARG  25  -3.029   0.270  -4.207
  184   HH12  ARG  25          1HH1      ARG  25  -3.497  -0.227  -5.814
  185   HH21  ARG  25          2HH2      ARG  25  -2.318  -3.456  -5.423
  186   HH22  ARG  25          1HH2      ARG  25  -3.002  -2.290  -6.553
  187    H    ASP  26           H        ASP  26   0.048  -4.965  -2.293
  188    HA   ASP  26           HA       ASP  26  -2.752  -5.264  -2.028
  189    HB2  ASP  26           1HB      ASP  26  -0.512  -7.076  -2.979
  190    HB3  ASP  26           2HB      ASP  26  -2.146  -7.688  -2.820
  191    H    ARG  27           H        ARG  27  -0.122  -6.873  -0.164
  192    HA   ARG  27           HA       ARG  27  -1.958  -8.402   1.485
  193    HB2  ARG  27           1HB      ARG  27  -0.108  -8.940   2.877
  194    HB3  ARG  27           2HB      ARG  27   0.324  -9.127   1.175
  195    HG2  ARG  27           1HG      ARG  27   1.564  -7.023   1.223
  196    HG3  ARG  27           2HG      ARG  27   1.049  -6.683   2.849
  197    HD2  ARG  27           1HD      ARG  27   2.255  -8.779   3.608
  198    HD3  ARG  27           2HD      ARG  27   2.785  -9.024   1.945
  199    HE   ARG  27           HE       ARG  27   4.363  -7.301   2.153
  200   HH11  ARG  27          2HH1      ARG  27   2.410  -7.252   5.080
  201   HH12  ARG  27          1HH1      ARG  27   3.494  -6.128   5.854
  202   HH21  ARG  27          2HH2      ARG  27   5.591  -5.914   3.112
  203   HH22  ARG  27          1HH2      ARG  27   5.305  -5.385   4.770
  204    H    HIS  28           H        HIS  28  -0.992  -5.081   1.648
  205    HA   HIS  28           HA       HIS  28  -2.083  -4.661   4.367
  206    HB2  HIS  28           1HB      HIS  28  -0.312  -3.215   3.761
  207    HB3  HIS  28           2HB      HIS  28  -0.988  -2.858   2.184
  208    HD1  HIS  28           1HD      HIS  28  -1.526  -1.930   5.859
  209    HD2  HIS  28           2HD      HIS  28  -2.891  -1.014   1.986
  210    HE1  HIS  28           1HE      HIS  28  -2.971   0.135   6.110
  211    H    MET  29           H        MET  29  -3.365  -4.369   0.978
  212    HA   MET  29           HA       MET  29  -5.800  -3.130   1.734
  213    HB2  MET  29           1HB      MET  29  -5.463  -5.211  -0.438
  214    HB3  MET  29           2HB      MET  29  -6.769  -4.044  -0.296
  215    HG2  MET  29           1HG      MET  29  -3.864  -3.460  -0.863
  216    HG3  MET  29           2HG      MET  29  -5.193  -3.333  -1.987
  217    HE1  MET  29           3HE      MET  29  -6.631  -1.462  -2.387
  218    HE2  MET  29           1HE      MET  29  -7.494  -1.675  -0.842
  219    HE3  MET  29           2HE      MET  29  -6.894  -0.071  -1.322
  220    H    LEU  30           H        LEU  30  -4.788  -6.394   2.370
  221    HA   LEU  30           HA       LEU  30  -7.274  -7.683   2.856
  222    HB2  LEU  30           1HB      LEU  30  -4.670  -8.018   4.398
  223    HB3  LEU  30           2HB      LEU  30  -5.987  -9.176   4.302
  224    HG   LEU  30           HG       LEU  30  -4.169  -8.349   2.003
  225   HD11  LEU  30          1HD1      LEU  30  -3.305 -10.638   2.172
  226   HD12  LEU  30          2HD1      LEU  30  -4.398 -10.971   3.534
  227   HD13  LEU  30          3HD1      LEU  30  -3.089  -9.781   3.707
  228   HD21  LEU  30          3HD2      LEU  30  -5.201 -10.194   0.745
  229   HD22  LEU  30          1HD2      LEU  30  -6.371  -8.923   1.108
  230   HD23  LEU  30          2HD2      LEU  30  -6.384 -10.433   2.055
  231    H    VAL  31           H        VAL  31  -5.554  -5.266   4.834
  232    HA   VAL  31           HA       VAL  31  -7.101  -5.762   7.236
  233    HB   VAL  31           HB       VAL  31  -6.057  -3.993   8.222
  234   HG11  VAL  31          1HG1      VAL  31  -3.716  -4.200   7.849
  235   HG12  VAL  31          2HG1      VAL  31  -4.482  -5.784   7.626
  236   HG13  VAL  31          3HG1      VAL  31  -3.964  -4.833   6.215
  237   HG21  VAL  31          3HG2      VAL  31  -5.606  -2.678   5.553
  238   HG22  VAL  31          1HG2      VAL  31  -6.513  -2.093   6.950
  239   HG23  VAL  31          2HG2      VAL  31  -4.754  -2.195   7.031
  240    H    HIS  32           H        HIS  32  -7.736  -4.057   4.352
  241    HA   HIS  32           HA       HIS  32 -10.088  -2.595   5.438
  242    HB2  HIS  32           1HB      HIS  32  -8.793  -2.447   2.692
  243    HB3  HIS  32           2HB      HIS  32 -10.025  -1.369   3.338
  244    HD1  HIS  32           1HD      HIS  32  -8.941  -0.291   5.949
  245    HD2  HIS  32           2HD      HIS  32  -6.514  -1.257   2.648
  246    HE1  HIS  32           1HE      HIS  32  -6.807   1.046   6.254
  247    H    GLY  33           H        GLY  33  -9.520  -5.624   4.144
  248    HA2  GLY  33           1HA      GLY  33 -11.451  -5.847   2.060
  249    HA3  GLY  33           2HA      GLY  33 -10.720  -7.181   2.938
  250    H    ASP  34           H        ASP  34 -13.570  -5.974   2.093
  251    HA   ASP  34           HA       ASP  34 -15.011  -7.600   4.079
  252    HB2  ASP  34           1HB      ASP  34 -15.658  -4.686   3.485
  253    HB3  ASP  34           2HB      ASP  34 -16.879  -5.832   4.024
  254    H    LYS  35           H        LYS  35 -16.075  -9.035   2.931
  255    HA   LYS  35           HA       LYS  35 -16.256  -8.976   0.083
  256    HB2  LYS  35           1HB      LYS  35 -15.946 -10.966   1.542
  257    HB3  LYS  35           2HB      LYS  35 -17.620 -10.823   2.088
  258    HG2  LYS  35           1HG      LYS  35 -18.429 -11.253  -0.201
  259    HG3  LYS  35           2HG      LYS  35 -16.757 -11.259  -0.808
  260    HD2  LYS  35           1HD      LYS  35 -16.249 -13.214   0.633
  261    HD3  LYS  35           2HD      LYS  35 -17.919 -13.201   1.241
  262    HE2  LYS  35           1HE      LYS  35 -18.760 -13.560  -1.073
  263    HE3  LYS  35           2HE      LYS  35 -17.100 -13.562  -1.681
  264    HZ1  LYS  35           3HZ      LYS  35 -17.918 -15.822  -1.339
  265    HZ2  LYS  35           1HZ      LYS  35 -18.210 -15.541   0.241
  266    HZ3  LYS  35           2HZ      LYS  35 -16.674 -15.543  -0.322
  267    H    TRP  36           H        TRP  36 -18.645  -8.083   2.502
  268    HA   TRP  36           HA       TRP  36 -20.579  -7.250   0.412
  269    HB2  TRP  36           1HB      TRP  36 -22.383  -8.131   1.829
  270    HB3  TRP  36           2HB      TRP  36 -21.365  -9.383   1.146
  271    HD1  TRP  36           1HD      TRP  36 -19.983 -10.885   2.795
  272    HE1  TRP  36           1HE      TRP  36 -20.113 -11.342   5.321
  273    HE3  TRP  36           3HE      TRP  36 -22.949  -6.940   4.183
  274    HZ2  TRP  36           2HZ      TRP  36 -21.358 -10.162   7.637
  275    HZ3  TRP  36           3HZ      TRP  36 -23.608  -6.646   6.560
  276    HH2  TRP  36           2HH      TRP  36 -22.820  -8.245   8.294
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  16.204  17.963 -13.270
    2    H2   GLY   1           2H       GLY   1  16.688  17.903 -11.705
    3    H3   GLY   1           3H       GLY   1  15.473  18.906 -12.148
    4    HA2  GLY   1           1HA      GLY   1  14.050  17.051 -12.708
    5    HA3  GLY   1           2HA      GLY   1  15.370  15.958 -12.251
    6    H    SER   2           H        SER   2  12.616  16.220 -11.147
    7    HA   SER   2           HA       SER   2  12.880  17.392  -8.475
    8    HB2  SER   2           1HB      SER   2  10.541  16.708  -8.242
    9    HB3  SER   2           2HB      SER   2  10.804  17.567  -9.770
   10    HG   SER   2           HG       SER   2   9.568  15.682 -10.109
   11    H    SER   3           H        SER   3  13.457  14.253  -9.795
   12    HA   SER   3           HA       SER   3  13.640  12.152  -9.012
   13    HB2  SER   3           1HB      SER   3  14.465  13.436  -6.395
   14    HB3  SER   3           2HB      SER   3  14.746  11.754  -6.878
   15    HG   SER   3           HG       SER   3  16.566  13.101  -7.291
   16    H    GLY   4           H        GLY   4  10.989  13.438  -8.776
   17    HA2  GLY   4           1HA      GLY   4   9.587  12.466  -6.474
   18    HA3  GLY   4           2HA      GLY   4   8.870  12.951  -8.008
   19    H    SER   5           H        SER   5   7.896  10.863  -6.438
   20    HA   SER   5           HA       SER   5   7.255   8.700  -6.378
   21    HB2  SER   5           1HB      SER   5   7.631   8.822  -9.381
   22    HB3  SER   5           2HB      SER   5   6.625   7.668  -8.486
   23    HG   SER   5           HG       SER   5   5.415   9.454  -9.300
   24    H    SER   6           H        SER   6  10.108   9.042  -5.942
   25    HA   SER   6           HA       SER   6  11.312   6.526  -6.939
   26    HB2  SER   6           1HB      SER   6  12.625   8.634  -6.903
   27    HB3  SER   6           2HB      SER   6  12.506   8.650  -5.131
   28    HG   SER   6           HG       SER   6  14.447   7.645  -5.913
   29    H    GLY   7           H        GLY   7  11.911   4.816  -5.629
   30    HA2  GLY   7           1HA      GLY   7  11.919   3.350  -3.838
   31    HA3  GLY   7           2HA      GLY   7  11.498   4.690  -2.763
   32    H    LEU   8           H        LEU   8   9.135   5.493  -3.176
   33    HA   LEU   8           HA       LEU   8   7.356   3.164  -2.728
   34    HB2  LEU   8           1HB      LEU   8   6.939   6.155  -2.370
   35    HB3  LEU   8           2HB      LEU   8   5.735   4.919  -2.010
   36    HG   LEU   8           HG       LEU   8   8.452   5.152  -0.627
   37   HD11  LEU   8          1HD1      LEU   8   7.130   5.949   1.296
   38   HD12  LEU   8          2HD1      LEU   8   5.656   5.925   0.296
   39   HD13  LEU   8          3HD1      LEU   8   6.985   7.032  -0.097
   40   HD21  LEU   8          3HD2      LEU   8   7.450   3.566   1.013
   41   HD22  LEU   8          1HD2      LEU   8   7.632   2.832  -0.584
   42   HD23  LEU   8          2HD2      LEU   8   6.034   3.393  -0.043
   43    H    LEU   9           H        LEU   9   6.062   2.420  -4.165
   44    HA   LEU   9           HA       LEU   9   5.557   3.940  -6.704
   45    HB2  LEU   9           1HB      LEU   9   6.352   1.052  -6.201
   46    HB3  LEU   9           2HB      LEU   9   5.729   1.611  -7.745
   47    HG   LEU   9           HG       LEU   9   8.279   2.635  -6.408
   48   HD11  LEU   9          1HD1      LEU   9   7.885   0.757  -8.777
   49   HD12  LEU   9          2HD1      LEU   9   8.458   0.295  -7.160
   50   HD13  LEU   9          3HD1      LEU   9   9.441   1.367  -8.166
   51   HD21  LEU   9          3HD2      LEU   9   7.132   3.157  -9.189
   52   HD22  LEU   9          1HD2      LEU   9   8.757   3.626  -8.640
   53   HD23  LEU   9          2HD2      LEU   9   7.341   4.354  -7.889
   54    H    TYR  10           H        TYR  10   4.124   1.907  -4.256
   55    HA   TYR  10           HA       TYR  10   1.537   1.825  -5.766
   56    HB2  TYR  10           1HB      TYR  10   2.663  -0.239  -3.841
   57    HB3  TYR  10           2HB      TYR  10   1.118  -0.321  -4.650
   58    HD1  TYR  10           1HD      TYR  10   4.787  -0.493  -5.138
   59    HD2  TYR  10           2HD      TYR  10   0.929  -0.859  -7.034
   60    HE1  TYR  10           1HE      TYR  10   5.880  -1.388  -7.201
   61    HE2  TYR  10           2HE      TYR  10   2.012  -1.798  -9.064
   62    HH   TYR  10           HH       TYR  10   3.991  -2.356 -10.087
   63    H    ASP  11           H        ASP  11  -0.365   2.206  -4.670
   64    HA   ASP  11           HA       ASP  11  -0.138   3.302  -1.910
   65    HB2  ASP  11           1HB      ASP  11  -1.297   5.269  -2.539
   66    HB3  ASP  11           2HB      ASP  11   0.068   5.081  -3.629
   67    H    CYS  12           H        CYS  12  -1.845   3.341  -0.627
   68    HA   CYS  12           HA       CYS  12  -4.183   1.606  -1.171
   69    HB2  CYS  12           1HB      CYS  12  -2.980   1.322   0.906
   70    HB3  CYS  12           2HB      CYS  12  -3.103   3.052   1.271
   71    H    HIS  13           H        HIS  13  -6.185   2.386  -1.562
   72    HA   HIS  13           HA       HIS  13  -6.566   5.322  -1.808
   73    HB2  HIS  13           1HB      HIS  13  -8.381   4.875  -3.260
   74    HB3  HIS  13           2HB      HIS  13  -7.004   3.917  -3.777
   75    HD1  HIS  13           1HD      HIS  13 -10.474   3.474  -2.151
   76    HD2  HIS  13           2HD      HIS  13  -7.300   1.263  -3.799
   77    HE1  HIS  13           1HE      HIS  13 -11.328   1.080  -2.427
   78    H    ILE  14           H        ILE  14  -7.006   3.182   0.634
   79    HA   ILE  14           HA       ILE  14  -9.627   4.301   1.552
   80    HB   ILE  14           HB       ILE  14  -8.130   1.873   2.598
   81   HG12  ILE  14          1HG1      ILE  14 -10.292   0.771   1.503
   82   HG13  ILE  14          2HG1      ILE  14 -10.191   2.140   0.397
   83   HG21  ILE  14          1HG2      ILE  14 -10.972   2.859   3.066
   84   HG22  ILE  14          2HG2      ILE  14 -10.285   1.335   3.670
   85   HG23  ILE  14          3HG2      ILE  14  -9.648   2.867   4.257
   86   HD11  ILE  14          3HD1      ILE  14  -7.976   0.118   0.963
   87   HD12  ILE  14          1HD1      ILE  14  -9.098   0.060  -0.401
   88   HD13  ILE  14          2HD1      ILE  14  -7.932   1.388  -0.276
   89    H    CYS  15           H        CYS  15  -6.294   3.721   2.618
   90    HA   CYS  15           HA       CYS  15  -6.633   5.775   4.753
   91    HB2  CYS  15           1HB      CYS  15  -5.475   4.517   6.314
   92    HB3  CYS  15           2HB      CYS  15  -6.780   3.517   5.671
   93    H    GLU  16           H        GLU  16  -5.118   5.331   1.990
   94    HA   GLU  16           HA       GLU  16  -3.540   6.488   0.910
   95    HB2  GLU  16           1HB      GLU  16  -4.789   8.203   2.553
   96    HB3  GLU  16           2HB      GLU  16  -3.142   8.439   3.130
   97    HG2  GLU  16           1HG      GLU  16  -2.441   8.889   0.738
   98    HG3  GLU  16           2HG      GLU  16  -4.118   8.650   0.244
   99    H    ARG  17           H        ARG  17  -2.578   4.496   3.118
  100    HA   ARG  17           HA       ARG  17   0.259   5.097   3.415
  101    HB2  ARG  17           1HB      ARG  17  -1.548   2.733   3.883
  102    HB3  ARG  17           2HB      ARG  17   0.166   2.389   3.645
  103    HG2  ARG  17           1HG      ARG  17   0.850   3.797   5.438
  104    HG3  ARG  17           2HG      ARG  17  -0.765   4.487   5.641
  105    HD2  ARG  17           1HD      ARG  17  -0.299   1.500   5.951
  106    HD3  ARG  17           2HD      ARG  17   0.069   2.628   7.255
  107    HE   ARG  17           HE       ARG  17  -2.635   2.794   6.004
  108   HH11  ARG  17          2HH1      ARG  17  -0.877   1.837   8.893
  109   HH12  ARG  17          1HH1      ARG  17  -2.339   1.802   9.842
  110   HH21  ARG  17          2HH2      ARG  17  -4.357   2.683   7.173
  111   HH22  ARG  17          1HH2      ARG  17  -4.304   2.290   8.888
  112    H    LYS  18           H        LYS  18   1.992   3.915   2.491
  113    HA   LYS  18           HA       LYS  18   1.614   3.113  -0.348
  114    HB2  LYS  18           1HB      LYS  18   3.446   5.355   0.588
  115    HB3  LYS  18           2HB      LYS  18   3.519   4.581  -1.006
  116    HG2  LYS  18           1HG      LYS  18   1.106   5.225  -1.358
  117    HG3  LYS  18           2HG      LYS  18   1.213   6.205   0.121
  118    HD2  LYS  18           1HD      LYS  18   3.076   7.498  -0.877
  119    HD3  LYS  18           2HD      LYS  18   2.976   6.497  -2.352
  120    HE2  LYS  18           1HE      LYS  18   0.645   7.194  -2.683
  121    HE3  LYS  18           2HE      LYS  18   0.714   8.180  -1.214
  122    HZ1  LYS  18           3HZ      LYS  18   2.433   9.542  -2.284
  123    HZ2  LYS  18           1HZ      LYS  18   1.086   9.536  -3.201
  124    HZ3  LYS  18           2HZ      LYS  18   2.371   8.635  -3.645
  125    H    PHE  19           H        PHE  19   3.264   2.051  -1.340
  126    HA   PHE  19           HA       PHE  19   5.242   0.676   0.438
  127    HB2  PHE  19           1HB      PHE  19   3.234  -0.677  -1.379
  128    HB3  PHE  19           2HB      PHE  19   4.398  -1.485  -0.358
  129    HD1  PHE  19           1HD      PHE  19   4.148  -1.519   2.131
  130    HD2  PHE  19           2HD      PHE  19   1.190   0.312  -0.408
  131    HE1  PHE  19           1HE      PHE  19   2.585  -1.382   4.054
  132    HE2  PHE  19           2HE      PHE  19  -0.368   0.484   1.531
  133    HZ   PHE  19           HZ       PHE  19   0.337  -0.359   3.767
  134    H    LYS  20           H        LYS  20   6.774  -0.657  -0.634
  135    HA   LYS  20           HA       LYS  20   7.920   0.678  -2.954
  136    HB2  LYS  20           1HB      LYS  20   8.854  -1.707  -1.292
  137    HB3  LYS  20           2HB      LYS  20   9.798  -0.931  -2.565
  138    HG2  LYS  20           1HG      LYS  20   9.706   1.228  -1.299
  139    HG3  LYS  20           2HG      LYS  20   8.834   0.401   0.006
  140    HD2  LYS  20           1HD      LYS  20  10.756  -1.138   0.317
  141    HD3  LYS  20           2HD      LYS  20  11.634  -0.301  -0.982
  142    HE2  LYS  20           1HE      LYS  20  11.516   1.819   0.309
  143    HE3  LYS  20           2HE      LYS  20  10.638   0.990   1.601
  144    HZ1  LYS  20           3HZ      LYS  20  13.009   1.144   2.102
  145    HZ2  LYS  20           1HZ      LYS  20  13.409   0.341   0.739
  146    HZ3  LYS  20           2HZ      LYS  20  12.597  -0.424   1.933
  147    H    ASN  21           H        ASN  21   6.341  -2.440  -2.455
  148    HA   ASN  21           HA       ASN  21   6.400  -2.880  -5.406
  149    HB2  ASN  21           1HB      ASN  21   6.549  -5.350  -4.947
  150    HB3  ASN  21           2HB      ASN  21   8.011  -4.464  -4.591
  151   HD21  ASN  21          1HD2      ASN  21   8.735  -4.324  -2.428
  152   HD22  ASN  21          2HD2      ASN  21   7.838  -5.058  -1.087
  153    H    GLU  22           H        GLU  22   4.707  -4.198  -6.206
  154    HA   GLU  22           HA       GLU  22   2.136  -3.320  -5.407
  155    HB2  GLU  22           1HB      GLU  22   2.933  -4.162  -7.697
  156    HB3  GLU  22           2HB      GLU  22   2.778  -5.797  -7.068
  157    HG2  GLU  22           1HG      GLU  22   0.368  -5.418  -6.660
  158    HG3  GLU  22           2HG      GLU  22   0.524  -3.738  -7.176
  159    H    LEU  23           H        LEU  23   3.891  -6.313  -4.729
  160    HA   LEU  23           HA       LEU  23   1.868  -7.824  -3.447
  161    HB2  LEU  23           1HB      LEU  23   3.878  -8.861  -4.145
  162    HB3  LEU  23           2HB      LEU  23   4.904  -7.739  -3.254
  163    HG   LEU  23           HG       LEU  23   4.059  -8.710  -1.096
  164   HD11  LEU  23          1HD1      LEU  23   2.615 -10.706  -2.895
  165   HD12  LEU  23          2HD1      LEU  23   1.850  -9.542  -1.788
  166   HD13  LEU  23          3HD1      LEU  23   2.827 -10.855  -1.135
  167   HD21  LEU  23          3HD2      LEU  23   6.112  -9.570  -2.153
  168   HD22  LEU  23          1HD2      LEU  23   5.155 -10.767  -3.055
  169   HD23  LEU  23          2HD2      LEU  23   5.248 -10.846  -1.280
  170    H    ASP  24           H        ASP  24   4.305  -5.638  -1.918
  171    HA   ASP  24           HA       ASP  24   3.380  -5.967   0.715
  172    HB2  ASP  24           1HB      ASP  24   5.062  -3.875  -0.638
  173    HB3  ASP  24           2HB      ASP  24   4.526  -3.635   1.019
  174    H    ARG  25           H        ARG  25   2.201  -3.791  -1.756
  175    HA   ARG  25           HA       ARG  25   0.356  -2.391   0.078
  176    HB2  ARG  25           1HB      ARG  25   1.383  -1.375  -1.992
  177    HB3  ARG  25           2HB      ARG  25   0.416  -2.405  -2.970
  178    HG2  ARG  25           1HG      ARG  25  -0.755  -0.443  -0.906
  179    HG3  ARG  25           2HG      ARG  25  -0.361   0.018  -2.560
  180    HD2  ARG  25           1HD      ARG  25  -2.476  -1.909  -1.613
  181    HD3  ARG  25           2HD      ARG  25  -2.695  -0.382  -2.430
  182    HE   ARG  25           HE       ARG  25  -1.402  -2.784  -3.635
  183   HH11  ARG  25          2HH1      ARG  25  -2.964   0.286  -4.293
  184   HH12  ARG  25          1HH1      ARG  25  -3.386  -0.189  -5.920
  185   HH21  ARG  25          2HH2      ARG  25  -2.212  -3.422  -5.543
  186   HH22  ARG  25          1HH2      ARG  25  -2.867  -2.241  -6.673
  187    H    ASP  26           H        ASP  26   0.089  -4.981  -2.377
  188    HA   ASP  26           HA       ASP  26  -2.723  -5.269  -2.192
  189    HB2  ASP  26           1HB      ASP  26  -0.462  -7.067  -3.114
  190    HB3  ASP  26           2HB      ASP  26  -2.091  -7.692  -2.986
  191    H    ARG  27           H        ARG  27  -0.143  -6.917  -0.275
  192    HA   ARG  27           HA       ARG  27  -2.064  -8.410   1.319
  193    HB2  ARG  27           1HB      ARG  27  -0.271  -9.000   2.759
  194    HB3  ARG  27           2HB      ARG  27   0.217  -9.188   1.073
  195    HG2  ARG  27           1HG      ARG  27   1.515  -7.125   1.171
  196    HG3  ARG  27           2HG      ARG  27   0.933  -6.755   2.772
  197    HD2  ARG  27           1HD      ARG  27   2.021  -8.920   3.573
  198    HD3  ARG  27           2HD      ARG  27   2.682  -9.114   1.950
  199    HE   ARG  27           HE       ARG  27   4.181  -7.307   2.299
  200   HH11  ARG  27          1HH1      ARG  27   2.197  -7.637   5.193
  201   HH12  ARG  27          2HH1      ARG  27   3.265  -6.601   6.101
  202   HH21  ARG  27          2HH2      ARG  27   5.383  -6.079   3.416
  203   HH22  ARG  27          1HH2      ARG  27   5.084  -5.720   5.121
  204    H    HIS  28           H        HIS  28  -0.963  -5.103   1.548
  205    HA   HIS  28           HA       HIS  28  -2.106  -4.672   4.223
  206    HB2  HIS  28           1HB      HIS  28  -0.359  -3.205   3.621
  207    HB3  HIS  28           2HB      HIS  28  -1.025  -2.868   2.033
  208    HD1  HIS  28           1HD      HIS  28  -1.652  -1.961   5.702
  209    HD2  HIS  28           2HD      HIS  28  -2.978  -1.071   1.810
  210    HE1  HIS  28           1HE      HIS  28  -3.214   0.017   5.942
  211    H    MET  29           H        MET  29  -3.397  -4.434   0.836
  212    HA   MET  29           HA       MET  29  -5.811  -3.146   1.557
  213    HB2  MET  29           1HB      MET  29  -5.454  -5.275  -0.577
  214    HB3  MET  29           2HB      MET  29  -6.796  -4.145  -0.454
  215    HG2  MET  29           1HG      MET  29  -3.906  -3.440  -0.982
  216    HG3  MET  29           2HG      MET  29  -5.208  -3.437  -2.148
  217    HE1  MET  29           3HE      MET  29  -7.120  -0.269  -1.701
  218    HE2  MET  29           1HE      MET  29  -6.741  -1.692  -2.681
  219    HE3  MET  29           2HE      MET  29  -7.642  -1.876  -1.155
  220    H    LEU  30           H        LEU  30  -4.857  -6.420   2.250
  221    HA   LEU  30           HA       LEU  30  -7.370  -7.649   2.753
  222    HB2  LEU  30           1HB      LEU  30  -4.769  -8.030   4.287
  223    HB3  LEU  30           2HB      LEU  30  -6.108  -9.162   4.206
  224    HG   LEU  30           HG       LEU  30  -4.292  -8.383   1.884
  225   HD11  LEU  30          1HD1      LEU  30  -3.454 -10.682   2.074
  226   HD12  LEU  30          2HD1      LEU  30  -4.536 -10.981   3.454
  227   HD13  LEU  30          3HD1      LEU  30  -3.211  -9.805   3.594
  228   HD21  LEU  30          3HD2      LEU  30  -6.522  -8.948   1.029
  229   HD22  LEU  30          1HD2      LEU  30  -6.516 -10.457   1.976
  230   HD23  LEU  30          2HD2      LEU  30  -5.353 -10.218   0.651
  231    H    VAL  31           H        VAL  31  -5.566  -5.274   4.736
  232    HA   VAL  31           HA       VAL  31  -7.035  -5.787   7.163
  233    HB   VAL  31           HB       VAL  31  -6.012  -3.968   8.121
  234   HG11  VAL  31          1HG1      VAL  31  -4.422  -5.738   7.497
  235   HG12  VAL  31          2HG1      VAL  31  -3.971  -4.802   6.056
  236   HG13  VAL  31          3HG1      VAL  31  -3.679  -4.138   7.669
  237   HG21  VAL  31          3HG2      VAL  31  -5.640  -2.686   5.415
  238   HG22  VAL  31          1HG2      VAL  31  -6.545  -2.095   6.811
  239   HG23  VAL  31          2HG2      VAL  31  -4.784  -2.158   6.879
  240    H    HIS  32           H        HIS  32  -7.830  -4.033   4.330
  241    HA   HIS  32           HA       HIS  32 -10.093  -2.574   5.547
  242    HB2  HIS  32           1HB      HIS  32  -9.074  -2.627   2.684
  243    HB3  HIS  32           2HB      HIS  32 -10.287  -1.531   3.344
  244    HD1  HIS  32           1HD      HIS  32  -9.059  -0.304   5.819
  245    HD2  HIS  32           2HD      HIS  32  -6.799  -1.390   2.440
  246    HE1  HIS  32           1HE      HIS  32  -6.907   1.017   5.986
  247    H    GLY  33           H        GLY  33  -9.644  -5.691   4.414
  248    HA2  GLY  33           1HA      GLY  33 -12.132  -6.181   3.022
  249    HA3  GLY  33           2HA      GLY  33 -11.080  -7.389   3.758
  250    H    ASP  34           H        ASP  34 -14.067  -6.959   3.756
  251    HA   ASP  34           HA       ASP  34 -14.680  -6.614   6.646
  252    HB2  ASP  34           1HB      ASP  34 -15.795  -5.258   4.859
  253    HB3  ASP  34           2HB      ASP  34 -16.510  -6.742   4.229
  254    H    LYS  35           H        LYS  35 -14.083  -9.192   4.582
  255    HA   LYS  35           HA       LYS  35 -16.188 -11.017   5.342
  256    HB2  LYS  35           1HB      LYS  35 -14.955 -10.986   3.166
  257    HB3  LYS  35           2HB      LYS  35 -13.492 -11.498   3.997
  258    HG2  LYS  35           1HG      LYS  35 -14.529 -13.329   2.798
  259    HG3  LYS  35           2HG      LYS  35 -14.507 -13.671   4.522
  260    HD2  LYS  35           1HD      LYS  35 -16.904 -13.037   4.691
  261    HD3  LYS  35           2HD      LYS  35 -16.940 -12.647   2.968
  262    HE2  LYS  35           1HE      LYS  35 -16.290 -15.394   4.140
  263    HE3  LYS  35           2HE      LYS  35 -17.898 -14.894   3.615
  264    HZ1  LYS  35           3HZ      LYS  35 -16.782 -16.118   1.865
  265    HZ2  LYS  35           1HZ      LYS  35 -15.523 -15.085   1.842
  266    HZ3  LYS  35           2HZ      LYS  35 -17.006 -14.582   1.367
  267    H    TRP  36           H        TRP  36 -13.280 -10.169   6.936
  268    HA   TRP  36           HA       TRP  36 -12.499 -12.649   8.057
  269    HB2  TRP  36           1HB      TRP  36 -11.947  -9.912   9.192
  270    HB3  TRP  36           2HB      TRP  36 -11.018 -11.384   9.444
  271    HD1  TRP  36           1HD      TRP  36 -10.831  -8.350   7.638
  272    HE1  TRP  36           1HE      TRP  36  -9.248  -8.440   5.610
  273    HE3  TRP  36           3HE      TRP  36 -10.458 -13.435   7.138
  274    HZ2  TRP  36           2HZ      TRP  36  -8.148 -10.461   3.875
  275    HZ3  TRP  36           3HZ      TRP  36  -9.146 -14.415   5.271
  276    HH2  TRP  36           2HH      TRP  36  -7.990 -12.943   3.635
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1   3.291  18.270  -2.131
    2    H2   GLY   1           2H       GLY   1   4.799  18.908  -2.127
    3    H3   GLY   1           3H       GLY   1   3.725  19.340  -0.965
    4    HA2  GLY   1           1HA      GLY   1   5.339  17.800  -0.062
    5    HA3  GLY   1           2HA      GLY   1   3.699  17.120  -0.053
    6    H    SER   2           H        SER   2   5.926  15.511   0.083
    7    HA   SER   2           HA       SER   2   7.033  13.749  -0.725
    8    HB2  SER   2           1HB      SER   2   5.941  12.156  -2.013
    9    HB3  SER   2           2HB      SER   2   4.669  13.008  -1.142
   10    HG   SER   2           HG       SER   2   4.479  14.323  -3.130
   11    H    SER   3           H        SER   3   7.801  12.600  -2.995
   12    HA   SER   3           HA       SER   3   8.886  14.626  -4.850
   13    HB2  SER   3           1HB      SER   3  10.542  14.600  -3.053
   14    HB3  SER   3           2HB      SER   3  10.650  12.831  -3.137
   15    HG   SER   3           HG       SER   3  12.305  14.065  -4.316
   16    H    GLY   4           H        GLY   4   9.429  13.817  -6.841
   17    HA2  GLY   4           1HA      GLY   4   8.425  11.259  -7.728
   18    HA3  GLY   4           2HA      GLY   4   9.429  12.388  -8.648
   19    H    SER   5           H        SER   5  11.454  12.164  -6.267
   20    HA   SER   5           HA       SER   5  12.967   9.854  -7.271
   21    HB2  SER   5           1HB      SER   5  13.651  11.891  -5.126
   22    HB3  SER   5           2HB      SER   5  14.757  10.693  -5.823
   23    HG   SER   5           HG       SER   5  14.957  12.756  -6.825
   24    H    SER   6           H        SER   6  10.481   9.918  -5.127
   25    HA   SER   6           HA       SER   6  11.448   8.549  -2.825
   26    HB2  SER   6           1HB      SER   6   9.299   9.707  -2.915
   27    HB3  SER   6           2HB      SER   6   8.683   8.528  -4.090
   28    HG   SER   6           HG       SER   6   8.146   8.169  -1.801
   29    H    GLY   7           H        GLY   7  11.360   6.422  -2.177
   30    HA2  GLY   7           1HA      GLY   7  11.795   4.281  -4.120
   31    HA3  GLY   7           2HA      GLY   7  11.725   4.159  -2.349
   32    H    LEU   8           H        LEU   8   8.949   5.685  -2.942
   33    HA   LEU   8           HA       LEU   8   7.431   3.159  -2.688
   34    HB2  LEU   8           1HB      LEU   8   6.701   6.046  -2.105
   35    HB3  LEU   8           2HB      LEU   8   5.685   4.646  -1.766
   36    HG   LEU   8           HG       LEU   8   8.468   5.022  -0.544
   37   HD11  LEU   8          1HD1      LEU   8   7.305   5.732   1.484
   38   HD12  LEU   8          2HD1      LEU   8   5.751   5.722   0.606
   39   HD13  LEU   8          3HD1      LEU   8   7.040   6.851   0.138
   40   HD21  LEU   8          3HD2      LEU   8   7.665   2.680  -0.546
   41   HD22  LEU   8          1HD2      LEU   8   6.144   3.207   0.209
   42   HD23  LEU   8          2HD2      LEU   8   7.678   3.353   1.088
   43    H    LEU   9           H        LEU   9   6.179   2.402  -4.148
   44    HA   LEU   9           HA       LEU   9   5.628   3.985  -6.639
   45    HB2  LEU   9           1HB      LEU   9   6.327   1.064  -6.177
   46    HB3  LEU   9           2HB      LEU   9   5.782   1.697  -7.720
   47    HG   LEU   9           HG       LEU   9   8.332   2.522  -6.251
   48   HD11  LEU   9          1HD1      LEU   9   8.400   0.236  -7.174
   49   HD12  LEU   9          2HD1      LEU   9   9.479   1.321  -8.061
   50   HD13  LEU   9          3HD1      LEU   9   7.914   0.854  -8.766
   51   HD21  LEU   9          3HD2      LEU   9   7.550   4.402  -7.615
   52   HD22  LEU   9          1HD2      LEU   9   7.295   3.322  -9.008
   53   HD23  LEU   9          2HD2      LEU   9   8.935   3.640  -8.397
   54    H    TYR  10           H        TYR  10   4.157   1.935  -4.226
   55    HA   TYR  10           HA       TYR  10   1.568   1.936  -5.730
   56    HB2  TYR  10           1HB      TYR  10   2.640  -0.182  -3.835
   57    HB3  TYR  10           2HB      TYR  10   1.101  -0.218  -4.661
   58    HD1  TYR  10           1HD      TYR  10   4.767  -0.471  -5.110
   59    HD2  TYR  10           2HD      TYR  10   0.927  -0.724  -7.053
   60    HE1  TYR  10           1HE      TYR  10   5.861  -1.397  -7.158
   61    HE2  TYR  10           2HE      TYR  10   2.009  -1.680  -9.076
   62    HH   TYR  10           HH       TYR  10   3.983  -2.294 -10.073
   63    H    ASP  11           H        ASP  11  -0.307   2.382  -4.650
   64    HA   ASP  11           HA       ASP  11  -0.078   3.361  -1.847
   65    HB2  ASP  11           1HB      ASP  11  -1.245   5.347  -2.393
   66    HB3  ASP  11           2HB      ASP  11   0.127   5.207  -3.482
   67    H    CYS  12           H        CYS  12  -1.785   3.328  -0.559
   68    HA   CYS  12           HA       CYS  12  -3.982   1.450  -1.073
   69    HB2  CYS  12           1HB      CYS  12  -2.777   1.393   1.021
   70    HB3  CYS  12           2HB      CYS  12  -3.080   3.118   1.297
   71    H    HIS  13           H        HIS  13  -6.014   2.002  -1.599
   72    HA   HIS  13           HA       HIS  13  -6.728   4.858  -1.910
   73    HB2  HIS  13           1HB      HIS  13  -8.559   4.096  -3.286
   74    HB3  HIS  13           2HB      HIS  13  -7.017   3.475  -3.843
   75    HD1  HIS  13           1HD      HIS  13  -6.896   0.873  -4.176
   76    HD2  HIS  13           2HD      HIS  13 -10.228   2.249  -2.006
   77    HE1  HIS  13           1HE      HIS  13  -8.444  -1.134  -3.894
   78    H    ILE  14           H        ILE  14  -6.878   2.879   0.667
   79    HA   ILE  14           HA       ILE  14  -9.570   3.819   1.599
   80    HB   ILE  14           HB       ILE  14  -7.785   1.762   2.869
   81   HG12  ILE  14          1HG1      ILE  14  -8.437   0.918   0.661
   82   HG13  ILE  14          2HG1      ILE  14  -9.148   0.013   1.970
   83   HG21  ILE  14          1HG2      ILE  14 -10.677   2.560   3.352
   84   HG22  ILE  14          2HG2      ILE  14  -9.931   1.095   4.018
   85   HG23  ILE  14          3HG2      ILE  14  -9.313   2.679   4.480
   86   HD11  ILE  14          3HD1      ILE  14 -10.626   2.097   0.348
   87   HD12  ILE  14          1HD1      ILE  14 -10.695   0.331   0.122
   88   HD13  ILE  14          2HD1      ILE  14 -11.313   1.048   1.618
   89    H    CYS  15           H        CYS  15  -6.126   3.699   2.543
   90    HA   CYS  15           HA       CYS  15  -6.595   5.838   4.560
   91    HB2  CYS  15           1HB      CYS  15  -5.312   4.767   6.171
   92    HB3  CYS  15           2HB      CYS  15  -6.582   3.675   5.632
   93    H    GLU  16           H        GLU  16  -5.058   5.289   1.800
   94    HA   GLU  16           HA       GLU  16  -3.525   6.413   0.628
   95    HB2  GLU  16           1HB      GLU  16  -4.743   8.230   2.193
   96    HB3  GLU  16           2HB      GLU  16  -3.079   8.490   2.714
   97    HG2  GLU  16           1HG      GLU  16  -2.453   8.723   0.246
   98    HG3  GLU  16           2HG      GLU  16  -4.168   8.584  -0.140
   99    H    ARG  17           H        ARG  17  -2.549   4.688   3.144
  100    HA   ARG  17           HA       ARG  17   0.271   5.238   3.367
  101    HB2  ARG  17           1HB      ARG  17  -1.394   2.719   3.757
  102    HB3  ARG  17           2HB      ARG  17   0.360   2.735   3.989
  103    HG2  ARG  17           1HG      ARG  17   0.189   4.502   5.683
  104    HG3  ARG  17           2HG      ARG  17  -1.568   4.567   5.451
  105    HD2  ARG  17           1HD      ARG  17  -1.708   2.163   6.106
  106    HD3  ARG  17           2HD      ARG  17   0.029   2.143   6.377
  107    HE   ARG  17           HE       ARG  17  -0.211   3.273   8.374
  108   HH11  ARG  17          2HH1      ARG  17  -3.390   3.459   6.789
  109   HH12  ARG  17          1HH1      ARG  17  -4.121   4.031   8.258
  110   HH21  ARG  17          2HH2      ARG  17  -1.269   4.035  10.145
  111   HH22  ARG  17          1HH2      ARG  17  -2.973   4.369  10.074
  112    H    LYS  18           H        LYS  18   1.963   3.825   2.627
  113    HA   LYS  18           HA       LYS  18   1.684   3.102  -0.259
  114    HB2  LYS  18           1HB      LYS  18   3.548   5.266   0.785
  115    HB3  LYS  18           2HB      LYS  18   3.567   4.593  -0.862
  116    HG2  LYS  18           1HG      LYS  18   1.168   5.277  -1.113
  117    HG3  LYS  18           2HG      LYS  18   1.291   6.102   0.457
  118    HD2  LYS  18           1HD      LYS  18   3.044   7.579  -0.412
  119    HD3  LYS  18           2HD      LYS  18   3.022   6.697  -1.959
  120    HE2  LYS  18           1HE      LYS  18   1.703   8.665  -2.251
  121    HE3  LYS  18           2HE      LYS  18   0.648   7.240  -2.253
  122    HZ1  LYS  18           3HZ      LYS  18  -0.278   9.064  -0.896
  123    HZ2  LYS  18           1HZ      LYS  18   1.036   9.075   0.066
  124    HZ3  LYS  18           2HZ      LYS  18   0.035   7.781   0.072
  125    H    PHE  19           H        PHE  19   3.291   2.071  -1.269
  126    HA   PHE  19           HA       PHE  19   5.258   0.598   0.448
  127    HB2  PHE  19           1HB      PHE  19   3.225  -0.658  -1.415
  128    HB3  PHE  19           2HB      PHE  19   4.360  -1.509  -0.395
  129    HD1  PHE  19           1HD      PHE  19   4.066  -1.612   2.079
  130    HD2  PHE  19           2HD      PHE  19   1.197   0.384  -0.444
  131    HE1  PHE  19           1HE      PHE  19   2.495  -1.443   3.995
  132    HE2  PHE  19           2HE      PHE  19  -0.358   0.591   1.488
  133    HZ   PHE  19           HZ       PHE  19   0.299  -0.313   3.711
  134    H    LYS  20           H        LYS  20   6.798  -0.685  -0.647
  135    HA   LYS  20           HA       LYS  20   7.926   0.584  -3.015
  136    HB2  LYS  20           1HB      LYS  20   8.814  -1.917  -1.501
  137    HB3  LYS  20           2HB      LYS  20   9.747  -1.044  -2.718
  138    HG2  LYS  20           1HG      LYS  20   9.651   1.000  -1.217
  139    HG3  LYS  20           2HG      LYS  20   8.899  -0.031   0.023
  140    HD2  LYS  20           1HD      LYS  20  10.883  -1.514   0.006
  141    HD3  LYS  20           2HD      LYS  20  11.642  -0.488  -1.234
  142    HE2  LYS  20           1HE      LYS  20  11.555   1.450   0.322
  143    HE3  LYS  20           2HE      LYS  20  10.806   0.430   1.556
  144    HZ1  LYS  20           3HZ      LYS  20  13.203   0.612   1.899
  145    HZ2  LYS  20           1HZ      LYS  20  13.520   0.003   0.418
  146    HZ3  LYS  20           2HZ      LYS  20  12.826  -0.938   1.560
  147    H    ASN  21           H        ASN  21   6.275  -2.462  -2.395
  148    HA   ASN  21           HA       ASN  21   6.375  -3.134  -5.311
  149    HB2  ASN  21           1HB      ASN  21   6.118  -5.098  -3.006
  150    HB3  ASN  21           2HB      ASN  21   6.304  -5.480  -4.711
  151   HD21  ASN  21          1HD2      ASN  21   7.907  -4.814  -1.774
  152   HD22  ASN  21          2HD2      ASN  21   9.541  -4.931  -2.417
  153    H    GLU  22           H        GLU  22   4.586  -4.222  -6.184
  154    HA   GLU  22           HA       GLU  22   1.991  -3.233  -5.446
  155    HB2  GLU  22           1HB      GLU  22   2.806  -4.068  -7.744
  156    HB3  GLU  22           2HB      GLU  22   2.604  -5.705  -7.130
  157    HG2  GLU  22           1HG      GLU  22   0.198  -5.259  -6.730
  158    HG3  GLU  22           2HG      GLU  22   0.405  -3.586  -7.248
  159    H    LEU  23           H        LEU  23   3.675  -6.292  -4.856
  160    HA   LEU  23           HA       LEU  23   1.664  -7.762  -3.521
  161    HB2  LEU  23           1HB      LEU  23   3.675  -8.811  -4.259
  162    HB3  LEU  23           2HB      LEU  23   4.693  -7.711  -3.325
  163    HG   LEU  23           HG       LEU  23   3.877  -8.713  -1.211
  164   HD11  LEU  23          1HD1      LEU  23   2.400 -10.675  -3.021
  165   HD12  LEU  23          2HD1      LEU  23   1.654  -9.522  -1.888
  166   HD13  LEU  23          3HD1      LEU  23   2.632 -10.851  -1.265
  167   HD21  LEU  23          3HD2      LEU  23   5.064 -10.842  -1.442
  168   HD22  LEU  23          1HD2      LEU  23   5.915  -9.547  -2.298
  169   HD23  LEU  23          2HD2      LEU  23   4.956 -10.732  -3.214
  170    H    ASP  24           H        ASP  24   4.163  -5.581  -2.049
  171    HA   ASP  24           HA       ASP  24   3.314  -5.993   0.621
  172    HB2  ASP  24           1HB      ASP  24   4.823  -3.730  -0.703
  173    HB3  ASP  24           2HB      ASP  24   4.522  -3.789   1.038
  174    H    ARG  25           H        ARG  25   2.101  -3.738  -1.768
  175    HA   ARG  25           HA       ARG  25   0.315  -2.335   0.107
  176    HB2  ARG  25           1HB      ARG  25   1.341  -1.333  -1.973
  177    HB3  ARG  25           2HB      ARG  25   0.360  -2.346  -2.944
  178    HG2  ARG  25           1HG      ARG  25  -0.801  -0.374  -0.890
  179    HG3  ARG  25           2HG      ARG  25  -0.376   0.093  -2.538
  180    HD2  ARG  25           1HD      ARG  25  -2.520  -1.833  -1.646
  181    HD3  ARG  25           2HD      ARG  25  -2.721  -0.285  -2.441
  182    HE   ARG  25           HE       ARG  25  -1.450  -2.698  -3.649
  183   HH11  ARG  25          2HH1      ARG  25  -2.885   0.427  -4.326
  184   HH12  ARG  25          1HH1      ARG  25  -3.280  -0.025  -5.967
  185   HH21  ARG  25          2HH2      ARG  25  -2.243  -3.302  -5.563
  186   HH22  ARG  25          1HH2      ARG  25  -2.822  -2.100  -6.712
  187    H    ASP  26           H        ASP  26  -0.033  -4.894  -2.359
  188    HA   ASP  26           HA       ASP  26  -2.846  -5.154  -2.144
  189    HB2  ASP  26           1HB      ASP  26  -0.619  -6.976  -3.101
  190    HB3  ASP  26           2HB      ASP  26  -2.260  -7.571  -2.970
  191    H    ARG  27           H        ARG  27  -0.251  -6.835  -0.301
  192    HA   ARG  27           HA       ARG  27  -2.119  -8.357   1.322
  193    HB2  ARG  27           1HB      ARG  27  -0.281  -8.993   2.676
  194    HB3  ARG  27           2HB      ARG  27   0.152  -9.125   0.969
  195    HG2  ARG  27           1HG      ARG  27   1.438  -7.048   1.103
  196    HG3  ARG  27           2HG      ARG  27   0.930  -6.765   2.741
  197    HD2  ARG  27           1HD      ARG  27   2.088  -8.922   3.407
  198    HD3  ARG  27           2HD      ARG  27   2.618  -9.102   1.736
  199    HE   ARG  27           HE       ARG  27   4.222  -7.410   2.022
  200   HH11  ARG  27          2HH1      ARG  27   2.286  -7.493   4.960
  201   HH12  ARG  27          1HH1      ARG  27   3.392  -6.429   5.786
  202   HH21  ARG  27          2HH2      ARG  27   5.476  -6.096   3.046
  203   HH22  ARG  27          1HH2      ARG  27   5.208  -5.656   4.732
  204    H    HIS  28           H        HIS  28  -1.050  -5.064   1.560
  205    HA   HIS  28           HA       HIS  28  -2.055  -4.691   4.308
  206    HB2  HIS  28           1HB      HIS  28  -0.318  -3.230   3.675
  207    HB3  HIS  28           2HB      HIS  28  -1.035  -2.857   2.120
  208    HD1  HIS  28           1HD      HIS  28  -1.566  -2.016   5.833
  209    HD2  HIS  28           2HD      HIS  28  -2.869  -0.973   1.973
  210    HE1  HIS  28           1HE      HIS  28  -3.006   0.048   6.128
  211    H    MET  29           H        MET  29  -3.490  -4.266   0.986
  212    HA   MET  29           HA       MET  29  -5.876  -3.065   1.885
  213    HB2  MET  29           1HB      MET  29  -5.730  -5.104  -0.352
  214    HB3  MET  29           2HB      MET  29  -6.928  -3.838  -0.131
  215    HG2  MET  29           1HG      MET  29  -4.036  -3.550  -0.925
  216    HG3  MET  29           2HG      MET  29  -5.450  -3.135  -1.865
  217    HE1  MET  29           3HE      MET  29  -6.827  -1.032  -1.658
  218    HE2  MET  29           1HE      MET  29  -7.298  -1.360   0.026
  219    HE3  MET  29           2HE      MET  29  -6.633   0.229  -0.422
  220    H    LEU  30           H        LEU  30  -4.870  -6.358   2.360
  221    HA   LEU  30           HA       LEU  30  -7.341  -7.641   2.938
  222    HB2  LEU  30           1HB      LEU  30  -4.651  -8.069   4.294
  223    HB3  LEU  30           2HB      LEU  30  -5.985  -9.201   4.228
  224    HG   LEU  30           HG       LEU  30  -4.309  -8.306   1.852
  225   HD11  LEU  30          1HD1      LEU  30  -4.459 -10.977   3.312
  226   HD12  LEU  30          2HD1      LEU  30  -3.131  -9.802   3.437
  227   HD13  LEU  30          3HD1      LEU  30  -3.453 -10.608   1.892
  228   HD21  LEU  30          3HD2      LEU  30  -6.574  -8.842   1.097
  229   HD22  LEU  30          1HD2      LEU  30  -6.525 -10.385   1.995
  230   HD23  LEU  30          2HD2      LEU  30  -5.433 -10.105   0.613
  231    H    VAL  31           H        VAL  31  -5.519  -5.297   4.886
  232    HA   VAL  31           HA       VAL  31  -6.896  -5.915   7.370
  233    HB   VAL  31           HB       VAL  31  -5.835  -4.148   8.358
  234   HG11  VAL  31          1HG1      VAL  31  -4.267  -5.896   7.638
  235   HG12  VAL  31          2HG1      VAL  31  -3.842  -4.911   6.222
  236   HG13  VAL  31          3HG1      VAL  31  -3.514  -4.305   7.852
  237   HG21  VAL  31          3HG2      VAL  31  -4.617  -2.301   7.145
  238   HG22  VAL  31          1HG2      VAL  31  -5.546  -2.757   5.702
  239   HG23  VAL  31          2HG2      VAL  31  -6.377  -2.220   7.164
  240    H    HIS  32           H        HIS  32  -7.713  -4.052   4.596
  241    HA   HIS  32           HA       HIS  32  -9.945  -2.613   5.925
  242    HB2  HIS  32           1HB      HIS  32  -8.955  -2.473   3.058
  243    HB3  HIS  32           2HB      HIS  32 -10.084  -1.378   3.844
  244    HD1  HIS  32           1HD      HIS  32  -8.592  -0.423   6.366
  245    HD2  HIS  32           2HD      HIS  32  -6.851  -1.089   2.600
  246    HE1  HIS  32           1HE      HIS  32  -6.509   1.028   6.312
  247    H    GLY  33           H        GLY  33  -9.395  -5.272   3.662
  248    HA2  GLY  33           1HA      GLY  33 -11.859  -5.319   2.327
  249    HA3  GLY  33           2HA      GLY  33 -10.791  -6.702   2.524
  250    H    ASP  34           H        ASP  34 -13.757  -6.422   2.505
  251    HA   ASP  34           HA       ASP  34 -14.621  -7.231   5.208
  252    HB2  ASP  34           1HB      ASP  34 -16.147  -6.733   2.626
  253    HB3  ASP  34           2HB      ASP  34 -16.891  -7.132   4.170
  254    H    LYS  35           H        LYS  35 -13.193  -8.971   2.848
  255    HA   LYS  35           HA       LYS  35 -15.044 -11.156   2.478
  256    HB2  LYS  35           1HB      LYS  35 -13.340 -12.135   1.096
  257    HB3  LYS  35           2HB      LYS  35 -13.478 -10.415   0.747
  258    HG2  LYS  35           1HG      LYS  35 -11.433  -9.971   2.108
  259    HG3  LYS  35           2HG      LYS  35 -11.304 -11.704   2.468
  260    HD2  LYS  35           1HD      LYS  35 -11.092 -12.189   0.038
  261    HD3  LYS  35           2HD      LYS  35 -11.197 -10.451  -0.313
  262    HE2  LYS  35           1HE      LYS  35  -9.150 -10.054   1.035
  263    HE3  LYS  35           2HE      LYS  35  -9.055 -11.780   1.409
  264    HZ1  LYS  35           3HZ      LYS  35  -8.783 -12.212  -0.980
  265    HZ2  LYS  35           1HZ      LYS  35  -7.608 -11.211  -0.458
  266    HZ3  LYS  35           2HZ      LYS  35  -8.860 -10.618  -1.323
  267    H    TRP  36           H        TRP  36 -13.207 -10.575   5.168
  268    HA   TRP  36           HA       TRP  36 -12.279 -13.217   5.869
  269    HB2  TRP  36           1HB      TRP  36 -12.856 -10.760   7.559
  270    HB3  TRP  36           2HB      TRP  36 -12.092 -12.227   8.149
  271    HD1  TRP  36           1HD      TRP  36 -11.273  -8.982   6.581
  272    HE1  TRP  36           1HE      TRP  36  -8.775  -8.826   6.008
  273    HE3  TRP  36           3HE      TRP  36 -10.014 -13.915   7.161
  274    HZ2  TRP  36           2HZ      TRP  36  -6.500 -10.611   5.921
  275    HZ3  TRP  36           3HZ      TRP  36  -7.667 -14.658   6.819
  276    HH2  TRP  36           2HH      TRP  36  -5.904 -13.018   6.202
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  23.618   6.248   4.747
    2    H2   GLY   1           2H       GLY   1  23.027   5.324   5.965
    3    H3   GLY   1           3H       GLY   1  22.356   6.783   5.645
    4    HA2  GLY   1           1HA      GLY   1  21.571   6.033   3.501
    5    HA3  GLY   1           2HA      GLY   1  22.311   4.456   3.831
    6    H    SER   2           H        SER   2  19.545   4.929   3.236
    7    HA   SER   2           HA       SER   2  18.266   3.619   5.549
    8    HB2  SER   2           1HB      SER   2  16.465   5.193   5.738
    9    HB3  SER   2           2HB      SER   2  17.972   6.105   5.886
   10    HG   SER   2           HG       SER   2  16.571   7.172   4.470
   11    H    SER   3           H        SER   3  15.875   3.109   4.936
   12    HA   SER   3           HA       SER   3  15.677   1.629   2.522
   13    HB2  SER   3           1HB      SER   3  13.430   2.744   4.242
   14    HB3  SER   3           2HB      SER   3  13.319   1.389   3.103
   15    HG   SER   3           HG       SER   3  13.608   0.680   5.274
   16    H    GLY   4           H        GLY   4  15.445   5.030   2.890
   17    HA2  GLY   4           1HA      GLY   4  13.668   5.636   0.668
   18    HA3  GLY   4           2HA      GLY   4  14.748   6.743   1.520
   19    H    SER   5           H        SER   5  16.647   4.140   0.532
   20    HA   SER   5           HA       SER   5  18.073   5.484  -1.528
   21    HB2  SER   5           1HB      SER   5  19.113   3.271  -1.901
   22    HB3  SER   5           2HB      SER   5  19.045   3.708  -0.185
   23    HG   SER   5           HG       SER   5  18.376   1.541  -0.545
   24    H    SER   6           H        SER   6  15.150   3.601  -1.705
   25    HA   SER   6           HA       SER   6  14.842   4.375  -4.526
   26    HB2  SER   6           1HB      SER   6  13.894   2.181  -5.162
   27    HB3  SER   6           2HB      SER   6  15.623   2.123  -4.793
   28    HG   SER   6           HG       SER   6  14.610   0.386  -3.828
   29    H    GLY   7           H        GLY   7  12.680   4.662  -5.168
   30    HA2  GLY   7           1HA      GLY   7  11.103   5.811  -3.049
   31    HA3  GLY   7           2HA      GLY   7  10.712   5.797  -4.765
   32    H    LEU   8           H        LEU   8   8.744   5.739  -3.092
   33    HA   LEU   8           HA       LEU   8   7.654   2.981  -2.953
   34    HB2  LEU   8           1HB      LEU   8   6.367   5.616  -2.172
   35    HB3  LEU   8           2HB      LEU   8   5.730   3.999  -1.874
   36    HG   LEU   8           HG       LEU   8   8.264   5.175  -0.641
   37   HD11  LEU   8          1HD1      LEU   8   6.071   6.123   0.150
   38   HD12  LEU   8          2HD1      LEU   8   7.007   5.284   1.405
   39   HD13  LEU   8          3HD1      LEU   8   5.612   4.482   0.658
   40   HD21  LEU   8          3HD2      LEU   8   8.230   3.175   0.823
   41   HD22  LEU   8          1HD2      LEU   8   8.484   2.722  -0.865
   42   HD23  LEU   8          2HD2      LEU   8   6.883   2.505  -0.119
   43    H    LEU   9           H        LEU   9   6.080   2.283  -4.238
   44    HA   LEU   9           HA       LEU   9   5.522   3.840  -6.750
   45    HB2  LEU   9           1HB      LEU   9   6.192   0.917  -6.272
   46    HB3  LEU   9           2HB      LEU   9   5.607   1.538  -7.806
   47    HG   LEU   9           HG       LEU   9   8.213   2.344  -6.429
   48   HD11  LEU   9          1HD1      LEU   9   8.222   0.042  -7.311
   49   HD12  LEU   9          2HD1      LEU   9   9.290   1.095  -8.251
   50   HD13  LEU   9          3HD1      LEU   9   7.696   0.638  -8.900
   51   HD21  LEU   9          3HD2      LEU   9   8.768   3.419  -8.610
   52   HD22  LEU   9          1HD2      LEU   9   7.414   4.212  -7.805
   53   HD23  LEU   9          2HD2      LEU   9   7.110   3.110  -9.168
   54    H    TYR  10           H        TYR  10   4.088   1.858  -4.272
   55    HA   TYR  10           HA       TYR  10   1.474   1.834  -5.725
   56    HB2  TYR  10           1HB      TYR  10   2.577  -0.229  -3.794
   57    HB3  TYR  10           2HB      TYR  10   1.020  -0.289  -4.596
   58    HD1  TYR  10           1HD      TYR  10   4.668  -0.619  -5.060
   59    HD2  TYR  10           2HD      TYR  10   0.826  -0.754  -7.016
   60    HE1  TYR  10           1HE      TYR  10   5.745  -1.534  -7.118
   61    HE2  TYR  10           2HE      TYR  10   1.896  -1.688  -9.057
   62    HH   TYR  10           HH       TYR  10   3.859  -2.317 -10.063
   63    H    ASP  11           H        ASP  11  -0.427   2.133  -4.566
   64    HA   ASP  11           HA       ASP  11  -0.171   3.495  -1.917
   65    HB2  ASP  11           1HB      ASP  11   0.040   5.169  -3.588
   66    HB3  ASP  11           2HB      ASP  11  -1.300   4.515  -4.531
   67    H    CYS  12           H        CYS  12  -1.833   3.497  -0.621
   68    HA   CYS  12           HA       CYS  12  -4.085   1.619  -1.066
   69    HB2  CYS  12           1HB      CYS  12  -2.832   1.385   0.980
   70    HB3  CYS  12           2HB      CYS  12  -3.060   3.104   1.369
   71    H    HIS  13           H        HIS  13  -5.957   2.312  -1.807
   72    HA   HIS  13           HA       HIS  13  -6.663   5.159  -1.825
   73    HB2  HIS  13           1HB      HIS  13  -8.530   4.476  -3.235
   74    HB3  HIS  13           2HB      HIS  13  -6.984   3.908  -3.838
   75    HD1  HIS  13           1HD      HIS  13  -6.782   1.306  -4.239
   76    HD2  HIS  13           2HD      HIS  13 -10.209   2.556  -2.142
   77    HE1  HIS  13           1HE      HIS  13  -8.305  -0.734  -4.078
   78    H    ILE  14           H        ILE  14  -6.889   3.007   0.627
   79    HA   ILE  14           HA       ILE  14  -9.574   3.927   1.579
   80    HB   ILE  14           HB       ILE  14  -7.811   1.834   2.814
   81   HG12  ILE  14          1HG1      ILE  14  -8.373   1.051   0.564
   82   HG13  ILE  14          2HG1      ILE  14  -9.144   0.109   1.817
   83   HG21  ILE  14          1HG2      ILE  14  -9.402   2.684   4.400
   84   HG22  ILE  14          2HG2      ILE  14 -10.726   2.594   3.223
   85   HG23  ILE  14          3HG2      ILE  14  -9.992   1.113   3.863
   86   HD11  ILE  14          3HD1      ILE  14 -10.553   2.242   0.196
   87   HD12  ILE  14          1HD1      ILE  14 -10.611   0.484  -0.086
   88   HD13  ILE  14          2HD1      ILE  14 -11.292   1.154   1.404
   89    H    CYS  15           H        CYS  15  -6.128   3.819   2.531
   90    HA   CYS  15           HA       CYS  15  -6.639   5.844   4.645
   91    HB2  CYS  15           1HB      CYS  15  -5.481   4.656   6.269
   92    HB3  CYS  15           2HB      CYS  15  -6.746   3.619   5.609
   93    H    GLU  16           H        GLU  16  -4.998   5.417   1.938
   94    HA   GLU  16           HA       GLU  16  -3.407   6.594   0.909
   95    HB2  GLU  16           1HB      GLU  16  -4.705   8.316   2.498
   96    HB3  GLU  16           2HB      GLU  16  -3.082   8.539   3.152
   97    HG2  GLU  16           1HG      GLU  16  -2.269   9.003   0.803
   98    HG3  GLU  16           2HG      GLU  16  -3.920   8.773   0.224
   99    H    ARG  17           H        ARG  17  -2.533   4.557   3.046
  100    HA   ARG  17           HA       ARG  17   0.306   5.166   3.440
  101    HB2  ARG  17           1HB      ARG  17  -1.531   2.845   3.949
  102    HB3  ARG  17           2HB      ARG  17   0.164   2.443   3.675
  103    HG2  ARG  17           1HG      ARG  17   0.937   3.832   5.444
  104    HG3  ARG  17           2HG      ARG  17  -0.647   4.585   5.677
  105    HD2  ARG  17           1HD      ARG  17  -0.272   1.586   5.996
  106    HD3  ARG  17           2HD      ARG  17   0.128   2.713   7.289
  107    HE   ARG  17           HE       ARG  17  -2.574   2.914   6.029
  108   HH11  ARG  17          2HH1      ARG  17  -0.842   2.042   8.960
  109   HH12  ARG  17          1HH1      ARG  17  -2.305   2.081   9.905
  110   HH21  ARG  17          2HH2      ARG  17  -4.298   2.895   7.196
  111   HH22  ARG  17          1HH2      ARG  17  -4.259   2.575   8.927
  112    H    LYS  18           H        LYS  18   2.045   3.988   2.515
  113    HA   LYS  18           HA       LYS  18   1.630   3.186  -0.327
  114    HB2  LYS  18           1HB      LYS  18   3.488   5.399   0.617
  115    HB3  LYS  18           2HB      LYS  18   3.565   4.622  -0.977
  116    HG2  LYS  18           1HG      LYS  18   1.187   5.296  -1.371
  117    HG3  LYS  18           2HG      LYS  18   1.256   6.248   0.131
  118    HD2  LYS  18           1HD      LYS  18   3.181   7.528  -0.794
  119    HD3  LYS  18           2HD      LYS  18   3.073   6.571  -2.301
  120    HE2  LYS  18           1HE      LYS  18   0.754   7.317  -2.610
  121    HE3  LYS  18           2HE      LYS  18   0.847   8.265  -1.118
  122    HZ1  LYS  18           3HZ      LYS  18   2.589   9.620  -2.164
  123    HZ2  LYS  18           1HZ      LYS  18   1.238   9.664  -3.076
  124    HZ3  LYS  18           2HZ      LYS  18   2.504   8.747  -3.544
  125    H    PHE  19           H        PHE  19   3.211   2.077  -1.340
  126    HA   PHE  19           HA       PHE  19   5.211   0.676   0.393
  127    HB2  PHE  19           1HB      PHE  19   3.143  -0.677  -1.349
  128    HB3  PHE  19           2HB      PHE  19   4.322  -1.475  -0.338
  129    HD1  PHE  19           1HD      PHE  19   4.094  -1.513   2.142
  130    HD2  PHE  19           2HD      PHE  19   1.133   0.355  -0.364
  131    HE1  PHE  19           1HE      PHE  19   2.553  -1.355   4.084
  132    HE2  PHE  19           2HE      PHE  19  -0.400   0.551   1.593
  133    HZ   PHE  19           HZ       PHE  19   0.317  -0.305   3.820
  134    H    LYS  20           H        LYS  20   6.713  -0.638  -0.698
  135    HA   LYS  20           HA       LYS  20   7.750   0.630  -3.111
  136    HB2  LYS  20           1HB      LYS  20   9.038   0.007  -1.063
  137    HB3  LYS  20           2HB      LYS  20   8.856  -1.694  -1.467
  138    HG2  LYS  20           1HG      LYS  20  10.137  -1.518  -3.437
  139    HG3  LYS  20           2HG      LYS  20  10.016   0.244  -3.498
  140    HD2  LYS  20           1HD      LYS  20  11.565  -1.294  -1.370
  141    HD3  LYS  20           2HD      LYS  20  12.264  -0.585  -2.836
  142    HE2  LYS  20           1HE      LYS  20  11.357   1.667  -2.094
  143    HE3  LYS  20           2HE      LYS  20  10.911   0.921  -0.552
  144    HZ1  LYS  20           3HZ      LYS  20  13.299   0.339  -0.284
  145    HZ2  LYS  20           1HZ      LYS  20  13.093   1.962  -0.401
  146    HZ3  LYS  20           2HZ      LYS  20  13.641   1.123  -1.688
  147    H    ASN  21           H        ASN  21   6.486  -2.546  -2.311
  148    HA   ASN  21           HA       ASN  21   6.511  -3.305  -5.217
  149    HB2  ASN  21           1HB      ASN  21   6.169  -5.157  -2.842
  150    HB3  ASN  21           2HB      ASN  21   6.343  -5.624  -4.525
  151   HD21  ASN  21          1HD2      ASN  21   7.939  -5.395  -1.679
  152   HD22  ASN  21          2HD2      ASN  21   9.594  -5.364  -2.302
  153    H    GLU  22           H        GLU  22   4.701  -4.396  -6.078
  154    HA   GLU  22           HA       GLU  22   2.122  -3.293  -5.393
  155    HB2  GLU  22           1HB      GLU  22   2.904  -4.147  -7.677
  156    HB3  GLU  22           2HB      GLU  22   2.706  -5.783  -7.060
  157    HG2  GLU  22           1HG      GLU  22   0.299  -5.341  -6.653
  158    HG3  GLU  22           2HG      GLU  22   0.503  -3.670  -7.179
  159    H    LEU  23           H        LEU  23   3.699  -6.404  -4.776
  160    HA   LEU  23           HA       LEU  23   1.627  -7.784  -3.434
  161    HB2  LEU  23           1HB      LEU  23   3.623  -8.909  -4.166
  162    HB3  LEU  23           2HB      LEU  23   4.659  -7.853  -3.203
  163    HG   LEU  23           HG       LEU  23   3.796  -8.824  -1.121
  164   HD11  LEU  23          1HD1      LEU  23   2.179 -10.679  -2.922
  165   HD12  LEU  23          2HD1      LEU  23   1.519  -9.489  -1.775
  166   HD13  LEU  23          3HD1      LEU  23   2.412 -10.884  -1.171
  167   HD21  LEU  23          3HD2      LEU  23   4.715 -10.924  -3.120
  168   HD22  LEU  23          1HD2      LEU  23   4.828 -11.034  -1.349
  169   HD23  LEU  23          2HD2      LEU  23   5.765  -9.808  -2.217
  170    H    ASP  24           H        ASP  24   4.184  -5.648  -2.021
  171    HA   ASP  24           HA       ASP  24   3.345  -5.961   0.661
  172    HB2  ASP  24           1HB      ASP  24   4.989  -3.854  -0.765
  173    HB3  ASP  24           2HB      ASP  24   4.627  -3.732   0.958
  174    H    ARG  25           H        ARG  25   2.083  -3.790  -1.766
  175    HA   ARG  25           HA       ARG  25   0.337  -2.346   0.133
  176    HB2  ARG  25           1HB      ARG  25   1.315  -1.348  -1.977
  177    HB3  ARG  25           2HB      ARG  25   0.313  -2.370  -2.920
  178    HG2  ARG  25           1HG      ARG  25  -0.811  -0.408  -0.834
  179    HG3  ARG  25           2HG      ARG  25  -0.418   0.076  -2.483
  180    HD2  ARG  25           1HD      ARG  25  -2.542  -1.848  -1.557
  181    HD3  ARG  25           2HD      ARG  25  -2.760  -0.300  -2.348
  182    HE   ARG  25           HE       ARG  25  -1.519  -2.718  -3.581
  183   HH11  ARG  25          2HH1      ARG  25  -2.997   0.398  -4.226
  184   HH12  ARG  25          1HH1      ARG  25  -3.411  -0.056  -5.863
  185   HH21  ARG  25          2HH2      ARG  25  -2.309  -3.316  -5.491
  186   HH22  ARG  25          1HH2      ARG  25  -2.936  -2.120  -6.622
  187    H    ASP  26           H        ASP  26  -0.039  -4.913  -2.321
  188    HA   ASP  26           HA       ASP  26  -2.856  -5.171  -2.086
  189    HB2  ASP  26           1HB      ASP  26  -0.626  -6.982  -3.046
  190    HB3  ASP  26           2HB      ASP  26  -2.261  -7.586  -2.906
  191    H    ARG  27           H        ARG  27  -0.257  -6.826  -0.234
  192    HA   ARG  27           HA       ARG  27  -2.109  -8.360   1.389
  193    HB2  ARG  27           1HB      ARG  27  -0.266  -8.949   2.758
  194    HB3  ARG  27           2HB      ARG  27   0.186  -9.081   1.057
  195    HG2  ARG  27           1HG      ARG  27   1.414  -6.962   1.189
  196    HG3  ARG  27           2HG      ARG  27   0.887  -6.689   2.821
  197    HD2  ARG  27           1HD      ARG  27   2.081  -8.836   3.492
  198    HD3  ARG  27           2HD      ARG  27   2.667  -8.961   1.833
  199    HE   ARG  27           HE       ARG  27   4.214  -7.236   2.218
  200   HH11  ARG  27          2HH1      ARG  27   2.136  -7.376   5.057
  201   HH12  ARG  27          1HH1      ARG  27   3.166  -6.276   5.929
  202   HH21  ARG  27          2HH2      ARG  27   5.370  -5.897   3.292
  203   HH22  ARG  27          1HH2      ARG  27   5.008  -5.446   4.960
  204    H    HIS  28           H        HIS  28  -1.061  -5.041   1.622
  205    HA   HIS  28           HA       HIS  28  -2.112  -4.667   4.347
  206    HB2  HIS  28           1HB      HIS  28  -0.364  -3.208   3.744
  207    HB3  HIS  28           2HB      HIS  28  -1.046  -2.843   2.170
  208    HD1  HIS  28           1HD      HIS  28  -1.623  -1.967   5.860
  209    HD2  HIS  28           2HD      HIS  28  -2.938  -1.003   1.983
  210    HE1  HIS  28           1HE      HIS  28  -3.119   0.061   6.126
  211    H    MET  29           H        MET  29  -3.477  -4.247   0.994
  212    HA   MET  29           HA       MET  29  -5.889  -3.064   1.838
  213    HB2  MET  29           1HB      MET  29  -5.651  -5.097  -0.403
  214    HB3  MET  29           2HB      MET  29  -6.898  -3.872  -0.201
  215    HG2  MET  29           1HG      MET  29  -3.992  -3.458  -0.888
  216    HG3  MET  29           2HG      MET  29  -5.375  -3.140  -1.906
  217    HE1  MET  29           3HE      MET  29  -6.773   0.208  -0.711
  218    HE2  MET  29           1HE      MET  29  -6.814  -1.114  -1.895
  219    HE3  MET  29           2HE      MET  29  -7.427  -1.383  -0.246
  220    H    LEU  30           H        LEU  30  -4.881  -6.355   2.358
  221    HA   LEU  30           HA       LEU  30  -7.375  -7.630   2.861
  222    HB2  LEU  30           1HB      LEU  30  -4.744  -8.061   4.325
  223    HB3  LEU  30           2HB      LEU  30  -6.080  -9.194   4.215
  224    HG   LEU  30           HG       LEU  30  -4.304  -8.304   1.904
  225   HD11  LEU  30          1HD1      LEU  30  -3.192  -9.798   3.531
  226   HD12  LEU  30          2HD1      LEU  30  -3.453 -10.605   1.976
  227   HD13  LEU  30          3HD1      LEU  30  -4.513 -10.973   3.357
  228   HD21  LEU  30          3HD2      LEU  30  -6.530 -10.376   1.943
  229   HD22  LEU  30          1HD2      LEU  30  -5.379 -10.098   0.613
  230   HD23  LEU  30          2HD2      LEU  30  -6.533  -8.834   1.048
  231    H    VAL  31           H        VAL  31  -5.569  -5.309   4.875
  232    HA   VAL  31           HA       VAL  31  -7.026  -5.891   7.310
  233    HB   VAL  31           HB       VAL  31  -5.967  -4.140   8.323
  234   HG11  VAL  31          1HG1      VAL  31  -3.942  -4.906   6.218
  235   HG12  VAL  31          2HG1      VAL  31  -3.639  -4.318   7.858
  236   HG13  VAL  31          3HG1      VAL  31  -4.402  -5.900   7.619
  237   HG21  VAL  31          3HG2      VAL  31  -4.715  -2.296   7.140
  238   HG22  VAL  31          1HG2      VAL  31  -5.616  -2.742   5.676
  239   HG23  VAL  31          2HG2      VAL  31  -6.476  -2.203   7.121
  240    H    HIS  32           H        HIS  32  -7.752  -4.017   4.520
  241    HA   HIS  32           HA       HIS  32 -10.063  -2.630   5.768
  242    HB2  HIS  32           1HB      HIS  32  -9.031  -2.505   2.913
  243    HB3  HIS  32           2HB      HIS  32 -10.196  -1.428   3.675
  244    HD1  HIS  32           1HD      HIS  32  -8.754  -0.456   6.226
  245    HD2  HIS  32           2HD      HIS  32  -6.918  -1.095   2.498
  246    HE1  HIS  32           1HE      HIS  32  -6.666   0.986   6.238
  247    H    GLY  33           H        GLY  33  -9.347  -5.064   3.260
  248    HA2  GLY  33           1HA      GLY  33 -12.154  -5.612   2.643
  249    HA3  GLY  33           2HA      GLY  33 -10.733  -6.405   1.976
  250    H    ASP  34           H        ASP  34  -9.926  -8.261   2.961
  251    HA   ASP  34           HA       ASP  34 -11.978  -9.765   4.364
  252    HB2  ASP  34           1HB      ASP  34  -9.421 -10.613   3.014
  253    HB3  ASP  34           2HB      ASP  34 -10.583 -11.726   3.748
  254    H    LYS  35           H        LYS  35 -10.993  -8.009   6.128
  255    HA   LYS  35           HA       LYS  35  -9.286  -9.419   8.070
  256    HB2  LYS  35           1HB      LYS  35  -9.254  -7.503   9.366
  257    HB3  LYS  35           2HB      LYS  35  -9.192  -6.931   7.714
  258    HG2  LYS  35           1HG      LYS  35 -11.627  -6.874   9.562
  259    HG3  LYS  35           2HG      LYS  35 -10.593  -5.516   9.136
  260    HD2  LYS  35           1HD      LYS  35 -11.268  -5.823   6.727
  261    HD3  LYS  35           2HD      LYS  35 -12.444  -7.047   7.274
  262    HE2  LYS  35           1HE      LYS  35 -13.543  -5.366   8.706
  263    HE3  LYS  35           2HE      LYS  35 -12.377  -4.143   8.176
  264    HZ1  LYS  35           3HZ      LYS  35 -14.264  -5.569   6.374
  265    HZ2  LYS  35           1HZ      LYS  35 -13.188  -4.432   5.903
  266    HZ3  LYS  35           2HZ      LYS  35 -14.437  -4.024   6.883
  267    H    TRP  36           H        TRP  36 -12.383  -9.954   7.298
  268    HA   TRP  36           HA       TRP  36 -13.728 -10.108   9.850
  269    HB2  TRP  36           1HB      TRP  36 -15.446 -11.330   8.551
  270    HB3  TRP  36           2HB      TRP  36 -15.017  -9.769   7.880
  271    HD1  TRP  36           1HD      TRP  36 -14.050  -9.677   5.475
  272    HE1  TRP  36           1HE      TRP  36 -13.643 -11.387   3.586
  273    HE3  TRP  36           3HE      TRP  36 -14.948 -13.998   8.088
  274    HZ2  TRP  36           2HZ      TRP  36 -13.827 -14.234   3.238
  275    HZ3  TRP  36           3HZ      TRP  36 -14.857 -16.198   6.935
  276    HH2  TRP  36           2HH      TRP  36 -14.294 -16.331   4.518
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1   9.202  19.747   9.271
    2    H2   GLY   1           2H       GLY   1   8.453  18.399   8.717
    3    H3   GLY   1           3H       GLY   1   7.994  19.872   8.171
    4    HA2  GLY   1           1HA      GLY   1  10.131  20.219   7.112
    5    HA3  GLY   1           2HA      GLY   1  10.616  18.615   7.689
    6    H    SER   2           H        SER   2  10.907  17.678   5.672
    7    HA   SER   2           HA       SER   2   9.104  17.858   3.470
    8    HB2  SER   2           1HB      SER   2  11.154  15.700   4.097
    9    HB3  SER   2           2HB      SER   2  10.426  16.034   2.514
   10    HG   SER   2           HG       SER   2  12.489  17.028   2.751
   11    H    SER   3           H        SER   3   7.820  16.208   2.477
   12    HA   SER   3           HA       SER   3   6.857  13.958   4.149
   13    HB2  SER   3           1HB      SER   3   5.366  15.925   4.584
   14    HB3  SER   3           2HB      SER   3   4.954  15.946   2.858
   15    HG   SER   3           HG       SER   3   3.452  14.738   4.144
   16    H    GLY   4           H        GLY   4   5.913  12.272   2.986
   17    HA2  GLY   4           1HA      GLY   4   5.599  10.836   1.196
   18    HA3  GLY   4           2HA      GLY   4   5.818  12.166   0.065
   19    H    SER   5           H        SER   5   6.842   9.589  -0.344
   20    HA   SER   5           HA       SER   5   9.792  10.042  -0.388
   21    HB2  SER   5           1HB      SER   5   8.427   7.496   0.567
   22    HB3  SER   5           2HB      SER   5  10.161   7.683   0.263
   23    HG   SER   5           HG       SER   5   9.628   7.959   2.482
   24    H    SER   6           H        SER   6  10.629   9.696  -2.338
   25    HA   SER   6           HA       SER   6   9.115   8.693  -4.557
   26    HB2  SER   6           1HB      SER   6  12.116   9.125  -4.341
   27    HB3  SER   6           2HB      SER   6  11.164   9.041  -5.833
   28    HG   SER   6           HG       SER   6  10.097  10.948  -5.216
   29    H    GLY   7           H        GLY   7  11.042   7.005  -2.230
   30    HA2  GLY   7           1HA      GLY   7  11.746   4.664  -3.761
   31    HA3  GLY   7           2HA      GLY   7  11.688   4.820  -1.998
   32    H    LEU   8           H        LEU   8   8.662   5.698  -2.817
   33    HA   LEU   8           HA       LEU   8   7.583   2.920  -2.567
   34    HB2  LEU   8           1HB      LEU   8   6.379   5.525  -1.584
   35    HB3  LEU   8           2HB      LEU   8   5.753   3.891  -1.329
   36    HG   LEU   8           HG       LEU   8   8.407   4.913  -0.217
   37   HD11  LEU   8          1HD1      LEU   8   5.761   4.497   1.209
   38   HD12  LEU   8          2HD1      LEU   8   6.464   6.071   0.766
   39   HD13  LEU   8          3HD1      LEU   8   7.300   5.026   1.926
   40   HD21  LEU   8          3HD2      LEU   8   6.818   2.396   0.436
   41   HD22  LEU   8          1HD2      LEU   8   8.333   2.915   1.201
   42   HD23  LEU   8          2HD2      LEU   8   8.329   2.444  -0.502
   43    H    LEU   9           H        LEU   9   6.534   2.190  -4.225
   44    HA   LEU   9           HA       LEU   9   5.898   4.004  -6.499
   45    HB2  LEU   9           1HB      LEU   9   6.653   1.085  -6.182
   46    HB3  LEU   9           2HB      LEU   9   5.832   1.644  -7.633
   47    HG   LEU   9           HG       LEU   9   7.609   3.306  -8.025
   48   HD11  LEU   9          1HD1      LEU   9   9.843   2.941  -6.921
   49   HD12  LEU   9          2HD1      LEU   9   9.031   1.916  -5.716
   50   HD13  LEU   9          3HD1      LEU   9   8.633   3.648  -5.858
   51   HD21  LEU   9          3HD2      LEU   9   8.558   0.419  -7.768
   52   HD22  LEU   9          1HD2      LEU   9   9.261   1.656  -8.837
   53   HD23  LEU   9          2HD2      LEU   9   7.609   1.083  -9.116
   54    H    TYR  10           H        TYR  10   4.249   2.076  -4.183
   55    HA   TYR  10           HA       TYR  10   1.718   2.066  -5.791
   56    HB2  TYR  10           1HB      TYR  10   2.692  -0.056  -3.841
   57    HB3  TYR  10           2HB      TYR  10   1.196  -0.078  -4.733
   58    HD1  TYR  10           1HD      TYR  10   4.879  -0.359  -5.038
   59    HD2  TYR  10           2HD      TYR  10   1.110  -0.607  -7.122
   60    HE1  TYR  10           1HE      TYR  10   6.042  -1.293  -7.035
   61    HE2  TYR  10           2HE      TYR  10   2.262  -1.581  -9.096
   62    HH   TYR  10           HH       TYR  10   4.272  -2.208 -10.016
   63    H    ASP  11           H        ASP  11  -0.238   2.341  -4.687
   64    HA   ASP  11           HA       ASP  11  -0.046   3.434  -1.929
   65    HB2  ASP  11           1HB      ASP  11  -1.245   5.374  -2.529
   66    HB3  ASP  11           2HB      ASP  11   0.116   5.230  -3.631
   67    H    CYS  12           H        CYS  12  -1.719   3.321  -0.622
   68    HA   CYS  12           HA       CYS  12  -3.932   1.452  -1.161
   69    HB2  CYS  12           1HB      CYS  12  -2.725   1.327   0.939
   70    HB3  CYS  12           2HB      CYS  12  -3.033   3.047   1.263
   71    H    HIS  13           H        HIS  13  -5.929   2.059  -1.717
   72    HA   HIS  13           HA       HIS  13  -6.592   4.931  -1.951
   73    HB2  HIS  13           1HB      HIS  13  -8.410   4.247  -3.366
   74    HB3  HIS  13           2HB      HIS  13  -6.887   3.574  -3.919
   75    HD1  HIS  13           1HD      HIS  13  -6.833   0.944  -4.200
   76    HD2  HIS  13           2HD      HIS  13 -10.211   2.493  -2.229
   77    HE1  HIS  13           1HE      HIS  13  -8.495  -0.981  -4.009
   78    H    ILE  14           H        ILE  14  -6.851   2.813   0.539
   79    HA   ILE  14           HA       ILE  14  -9.530   3.776   1.465
   80    HB   ILE  14           HB       ILE  14  -7.755   1.705   2.727
   81   HG12  ILE  14          1HG1      ILE  14  -8.392   0.893   0.505
   82   HG13  ILE  14          2HG1      ILE  14  -9.118  -0.032   1.799
   83   HG21  ILE  14          1HG2      ILE  14  -9.289   2.606   4.341
   84   HG22  ILE  14          2HG2      ILE  14 -10.648   2.503   3.204
   85   HG23  ILE  14          3HG2      ILE  14  -9.909   1.029   3.855
   86   HD11  ILE  14          3HD1      ILE  14 -11.278   1.027   1.441
   87   HD12  ILE  14          1HD1      ILE  14 -10.574   2.080   0.182
   88   HD13  ILE  14          2HD1      ILE  14 -10.656   0.319  -0.056
   89    H    CYS  15           H        CYS  15  -6.099   3.633   2.456
   90    HA   CYS  15           HA       CYS  15  -6.592   5.780   4.460
   91    HB2  CYS  15           1HB      CYS  15  -5.283   4.716   6.062
   92    HB3  CYS  15           2HB      CYS  15  -6.564   3.647   5.532
   93    H    GLU  16           H        GLU  16  -5.113   5.451   1.703
   94    HA   GLU  16           HA       GLU  16  -3.532   6.675   0.618
   95    HB2  GLU  16           1HB      GLU  16  -4.160   8.356   3.040
   96    HB3  GLU  16           2HB      GLU  16  -3.029   8.937   1.800
   97    HG2  GLU  16           1HG      GLU  16  -4.780   8.617   0.067
   98    HG3  GLU  16           2HG      GLU  16  -5.911   8.075   1.308
   99    H    ARG  17           H        ARG  17  -2.545   4.741   2.882
  100    HA   ARG  17           HA       ARG  17   0.269   5.467   3.206
  101    HB2  ARG  17           1HB      ARG  17  -1.295   2.868   3.518
  102    HB3  ARG  17           2HB      ARG  17   0.453   2.955   3.760
  103    HG2  ARG  17           1HG      ARG  17   0.197   4.632   5.525
  104    HG3  ARG  17           2HG      ARG  17  -1.558   4.647   5.280
  105    HD2  ARG  17           1HD      ARG  17  -1.648   2.234   5.863
  106    HD3  ARG  17           2HD      ARG  17   0.096   2.223   6.098
  107    HE   ARG  17           HE       ARG  17  -0.119   3.272   8.143
  108   HH11  ARG  17          2HH1      ARG  17  -3.334   3.455   6.636
  109   HH12  ARG  17          1HH1      ARG  17  -4.038   3.987   8.135
  110   HH21  ARG  17          2HH2      ARG  17  -1.145   3.967   9.957
  111   HH22  ARG  17          1HH2      ARG  17  -2.854   4.280   9.934
  112    H    LYS  18           H        LYS  18   1.971   4.050   2.424
  113    HA   LYS  18           HA       LYS  18   1.659   3.208  -0.404
  114    HB2  LYS  18           1HB      LYS  18   3.563   5.422   0.466
  115    HB3  LYS  18           2HB      LYS  18   3.670   4.514  -1.044
  116    HG2  LYS  18           1HG      LYS  18   1.332   5.272  -1.610
  117    HG3  LYS  18           2HG      LYS  18   1.423   6.362  -0.223
  118    HD2  LYS  18           1HD      LYS  18   1.997   7.591  -2.225
  119    HD3  LYS  18           2HD      LYS  18   3.454   7.415  -1.230
  120    HE2  LYS  18           1HE      LYS  18   4.137   5.473  -2.690
  121    HE3  LYS  18           2HE      LYS  18   2.729   5.773  -3.706
  122    HZ1  LYS  18           3HZ      LYS  18   4.866   6.787  -4.472
  123    HZ2  LYS  18           1HZ      LYS  18   4.861   7.788  -3.195
  124    HZ3  LYS  18           2HZ      LYS  18   3.665   7.903  -4.312
  125    H    PHE  19           H        PHE  19   3.308   2.049  -1.344
  126    HA   PHE  19           HA       PHE  19   5.151   0.613   0.534
  127    HB2  PHE  19           1HB      PHE  19   3.200  -0.618  -1.428
  128    HB3  PHE  19           2HB      PHE  19   4.285  -1.494  -0.377
  129    HD1  PHE  19           1HD      PHE  19   3.932  -1.625   2.070
  130    HD2  PHE  19           2HD      PHE  19   1.150   0.432  -0.498
  131    HE1  PHE  19           1HE      PHE  19   2.314  -1.473   3.948
  132    HE2  PHE  19           2HE      PHE  19  -0.450   0.633   1.402
  133    HZ   PHE  19           HZ       PHE  19   0.141  -0.320   3.622
  134    H    LYS  20           H        LYS  20   6.726  -0.748  -0.451
  135    HA   LYS  20           HA       LYS  20   8.054   0.461  -2.722
  136    HB2  LYS  20           1HB      LYS  20   8.655  -2.115  -1.190
  137    HB3  LYS  20           2HB      LYS  20   9.727  -1.356  -2.372
  138    HG2  LYS  20           1HG      LYS  20   9.855   0.677  -0.947
  139    HG3  LYS  20           2HG      LYS  20   8.840  -0.131   0.271
  140    HD2  LYS  20           1HD      LYS  20  10.544  -1.912   0.514
  141    HD3  LYS  20           2HD      LYS  20  11.563  -1.105  -0.701
  142    HE2  LYS  20           1HE      LYS  20  11.664   0.921   0.737
  143    HE3  LYS  20           2HE      LYS  20  10.653   0.119   1.947
  144    HZ1  LYS  20           3HZ      LYS  20  13.010  -0.057   2.506
  145    HZ2  LYS  20           1HZ      LYS  20  13.350  -0.806   1.097
  146    HZ3  LYS  20           2HZ      LYS  20  12.416  -1.548   2.214
  147    H    ASN  21           H        ASN  21   6.156  -2.482  -2.323
  148    HA   ASN  21           HA       ASN  21   6.358  -3.019  -5.261
  149    HB2  ASN  21           1HB      ASN  21   6.064  -5.122  -3.087
  150    HB3  ASN  21           2HB      ASN  21   6.265  -5.397  -4.810
  151   HD21  ASN  21          1HD2      ASN  21   7.847  -4.843  -1.815
  152   HD22  ASN  21          2HD2      ASN  21   9.486  -4.996  -2.449
  153    H    GLU  22           H        GLU  22   4.577  -4.072  -6.209
  154    HA   GLU  22           HA       GLU  22   1.971  -3.143  -5.489
  155    HB2  GLU  22           1HB      GLU  22   2.865  -3.953  -7.777
  156    HB3  GLU  22           2HB      GLU  22   2.604  -5.590  -7.191
  157    HG2  GLU  22           1HG      GLU  22   0.199  -5.089  -6.863
  158    HG3  GLU  22           2HG      GLU  22   0.465  -3.417  -7.349
  159    H    LEU  23           H        LEU  23   3.686  -6.185  -4.884
  160    HA   LEU  23           HA       LEU  23   1.624  -7.699  -3.678
  161    HB2  LEU  23           1HB      LEU  23   3.674  -8.702  -4.426
  162    HB3  LEU  23           2HB      LEU  23   4.648  -7.680  -3.363
  163    HG   LEU  23           HG       LEU  23   3.679  -8.818  -1.373
  164   HD11  LEU  23          1HD1      LEU  23   2.344 -10.616  -3.445
  165   HD12  LEU  23          2HD1      LEU  23   1.521  -9.580  -2.255
  166   HD13  LEU  23          3HD1      LEU  23   2.460 -10.973  -1.710
  167   HD21  LEU  23          3HD2      LEU  23   4.898 -10.912  -1.643
  168   HD22  LEU  23          1HD2      LEU  23   5.798  -9.566  -2.360
  169   HD23  LEU  23          2HD2      LEU  23   4.916 -10.700  -3.412
  170    H    ASP  24           H        ASP  24   4.109  -5.619  -2.042
  171    HA   ASP  24           HA       ASP  24   3.209  -6.095   0.601
  172    HB2  ASP  24           1HB      ASP  24   4.602  -3.701  -0.640
  173    HB3  ASP  24           2HB      ASP  24   4.330  -3.875   1.096
  174    H    ARG  25           H        ARG  25   2.107  -3.687  -1.757
  175    HA   ARG  25           HA       ARG  25   0.234  -2.370   0.061
  176    HB2  ARG  25           1HB      ARG  25   1.322  -1.352  -1.971
  177    HB3  ARG  25           2HB      ARG  25   0.361  -2.350  -2.988
  178    HG2  ARG  25           1HG      ARG  25  -0.843  -0.397  -0.941
  179    HG3  ARG  25           2HG      ARG  25  -0.369   0.091  -2.568
  180    HD2  ARG  25           1HD      ARG  25  -2.565  -1.820  -1.763
  181    HD3  ARG  25           2HD      ARG  25  -2.708  -0.261  -2.549
  182    HE   ARG  25           HE       ARG  25  -1.425  -2.668  -3.751
  183   HH11  ARG  25          2HH1      ARG  25  -2.834   0.469  -4.422
  184   HH12  ARG  25          1HH1      ARG  25  -3.194   0.040  -6.077
  185   HH21  ARG  25          2HH2      ARG  25  -2.193  -3.248  -5.692
  186   HH22  ARG  25          1HH2      ARG  25  -2.730  -2.024  -6.837
  187    H    ASP  26           H        ASP  26  -0.092  -4.862  -2.487
  188    HA   ASP  26           HA       ASP  26  -2.897  -5.131  -2.334
  189    HB2  ASP  26           1HB      ASP  26  -0.648  -6.950  -3.248
  190    HB3  ASP  26           2HB      ASP  26  -2.290  -7.548  -3.163
  191    H    ARG  27           H        ARG  27  -0.367  -6.866  -0.435
  192    HA   ARG  27           HA       ARG  27  -2.346  -8.364   1.111
  193    HB2  ARG  27           1HB      ARG  27  -0.632  -9.150   2.465
  194    HB3  ARG  27           2HB      ARG  27  -0.191  -9.302   0.764
  195    HG2  ARG  27           1HG      ARG  27   1.421  -7.523   0.932
  196    HG3  ARG  27           2HG      ARG  27   0.795  -6.987   2.483
  197    HD2  ARG  27           1HD      ARG  27   2.819  -8.196   2.888
  198    HD3  ARG  27           2HD      ARG  27   1.440  -9.164   3.469
  199    HE   ARG  27           HE       ARG  27   1.973 -10.010   0.833
  200   HH11  ARG  27          2HH1      ARG  27   3.714 -10.079   3.872
  201   HH12  ARG  27          1HH1      ARG  27   4.566 -11.541   3.461
  202   HH21  ARG  27          2HH2      ARG  27   3.059 -11.921   0.398
  203   HH22  ARG  27          1HH2      ARG  27   4.213 -12.535   1.541
  204    H    HIS  28           H        HIS  28  -1.032  -5.144   1.496
  205    HA   HIS  28           HA       HIS  28  -2.056  -4.787   4.207
  206    HB2  HIS  28           1HB      HIS  28  -0.344  -3.313   3.561
  207    HB3  HIS  28           2HB      HIS  28  -1.082  -2.941   2.014
  208    HD1  HIS  28           1HD      HIS  28  -1.546  -2.085   5.731
  209    HD2  HIS  28           2HD      HIS  28  -2.921  -1.059   1.889
  210    HE1  HIS  28           1HE      HIS  28  -2.961  -0.002   6.038
  211    H    MET  29           H        MET  29  -3.577  -4.375   0.931
  212    HA   MET  29           HA       MET  29  -5.915  -3.111   1.835
  213    HB2  MET  29           1HB      MET  29  -5.848  -5.270  -0.299
  214    HB3  MET  29           2HB      MET  29  -7.036  -3.991  -0.114
  215    HG2  MET  29           1HG      MET  29  -4.151  -3.694  -0.941
  216    HG3  MET  29           2HG      MET  29  -5.567  -3.452  -1.936
  217    HE1  MET  29           3HE      MET  29  -7.525  -1.565  -0.123
  218    HE2  MET  29           1HE      MET  29  -6.979  -0.058  -0.896
  219    HE3  MET  29           2HE      MET  29  -7.150  -1.539  -1.860
  220    H    LEU  30           H        LEU  30  -4.984  -6.432   2.379
  221    HA   LEU  30           HA       LEU  30  -7.488  -7.610   3.036
  222    HB2  LEU  30           1HB      LEU  30  -4.761  -8.161   4.263
  223    HB3  LEU  30           2HB      LEU  30  -6.145  -9.232   4.277
  224    HG   LEU  30           HG       LEU  30  -4.575  -8.394   1.797
  225   HD11  LEU  30          1HD1      LEU  30  -3.808 -10.722   1.771
  226   HD12  LEU  30          2HD1      LEU  30  -4.732 -11.063   3.252
  227   HD13  LEU  30          3HD1      LEU  30  -3.358  -9.937   3.293
  228   HD21  LEU  30          3HD2      LEU  30  -6.891  -8.825   1.168
  229   HD22  LEU  30          1HD2      LEU  30  -6.881 -10.361   2.070
  230   HD23  LEU  30          2HD2      LEU  30  -5.859 -10.151   0.627
  231    H    VAL  31           H        VAL  31  -5.531  -5.330   4.897
  232    HA   VAL  31           HA       VAL  31  -6.806  -5.886   7.448
  233    HB   VAL  31           HB       VAL  31  -5.690  -4.117   8.361
  234   HG11  VAL  31          1HG1      VAL  31  -3.390  -4.313   7.751
  235   HG12  VAL  31          2HG1      VAL  31  -4.174  -5.895   7.602
  236   HG13  VAL  31          3HG1      VAL  31  -3.803  -4.942   6.151
  237   HG21  VAL  31          3HG2      VAL  31  -6.263  -2.201   7.165
  238   HG22  VAL  31          1HG2      VAL  31  -4.505  -2.301   7.068
  239   HG23  VAL  31          2HG2      VAL  31  -5.503  -2.767   5.675
  240    H    HIS  32           H        HIS  32  -7.742  -4.070   4.683
  241    HA   HIS  32           HA       HIS  32  -9.809  -2.495   6.086
  242    HB2  HIS  32           1HB      HIS  32  -9.014  -2.589   3.154
  243    HB3  HIS  32           2HB      HIS  32 -10.115  -1.437   3.897
  244    HD1  HIS  32           1HD      HIS  32  -8.529  -0.417   6.356
  245    HD2  HIS  32           2HD      HIS  32  -6.914  -1.172   2.546
  246    HE1  HIS  32           1HE      HIS  32  -6.433   0.996   6.217
  247    H    GLY  33           H        GLY  33  -9.652  -5.525   4.377
  248    HA2  GLY  33           1HA      GLY  33 -12.217  -6.358   5.053
  249    HA3  GLY  33           2HA      GLY  33 -12.397  -5.629   3.457
  250    H    ASP  34           H        ASP  34 -13.076  -8.172   3.712
  251    HA   ASP  34           HA       ASP  34 -10.874  -9.838   2.571
  252    HB2  ASP  34           1HB      ASP  34 -11.929 -10.479   4.760
  253    HB3  ASP  34           2HB      ASP  34 -13.458 -10.697   3.912
  254    H    LYS  35           H        LYS  35 -13.117  -7.942   1.321
  255    HA   LYS  35           HA       LYS  35 -14.640  -9.741  -0.412
  256    HB2  LYS  35           1HB      LYS  35 -14.482  -6.702  -0.274
  257    HB3  LYS  35           2HB      LYS  35 -15.633  -7.620  -1.252
  258    HG2  LYS  35           1HG      LYS  35 -16.568  -8.666   0.798
  259    HG3  LYS  35           2HG      LYS  35 -15.458  -7.703   1.794
  260    HD2  LYS  35           1HD      LYS  35 -16.455  -5.615   0.899
  261    HD3  LYS  35           2HD      LYS  35 -17.575  -6.577  -0.092
  262    HE2  LYS  35           1HE      LYS  35 -18.499  -7.616   1.970
  263    HE3  LYS  35           2HE      LYS  35 -17.389  -6.658   2.956
  264    HZ1  LYS  35           3HZ      LYS  35 -19.579  -5.618   2.828
  265    HZ2  LYS  35           1HZ      LYS  35 -19.511  -5.534   1.201
  266    HZ3  LYS  35           2HZ      LYS  35 -18.483  -4.646   2.111
  267    H    TRP  36           H        TRP  36 -11.540  -8.607  -0.730
  268    HA   TRP  36           HA       TRP  36 -11.365  -7.695  -3.405
  269    HB2  TRP  36           1HB      TRP  36  -9.198  -9.053  -1.778
  270    HB3  TRP  36           2HB      TRP  36  -8.980  -7.945  -3.123
  271    HD1  TRP  36           1HD      TRP  36  -9.064  -8.031   0.531
  272    HE1  TRP  36           1HE      TRP  36  -9.122  -5.684   1.559
  273    HE3  TRP  36           3HE      TRP  36 -10.255  -5.334  -3.666
  274    HZ2  TRP  36           2HZ      TRP  36  -9.749  -3.005   0.712
  275    HZ3  TRP  36           3HZ      TRP  36 -10.581  -2.874  -3.515
  276    HH2  TRP  36           2HH      TRP  36 -10.334  -1.703  -1.340
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1   4.743  14.136  -4.181
    2    H2   GLY   1           2H       GLY   1   4.485  15.624  -3.545
    3    H3   GLY   1           3H       GLY   1   3.626  14.340  -3.000
    4    HA2  GLY   1           1HA      GLY   1   5.329  14.931  -1.401
    5    HA3  GLY   1           2HA      GLY   1   5.586  13.311  -2.076
    6    H    SER   2           H        SER   2   7.382  15.661  -1.022
    7    HA   SER   2           HA       SER   2   9.052  16.354  -3.312
    8    HB2  SER   2           1HB      SER   2  10.364  17.577  -1.599
    9    HB3  SER   2           2HB      SER   2   8.640  17.985  -1.589
   10    HG   SER   2           HG       SER   2   9.468  17.619   0.533
   11    H    SER   3           H        SER   3   9.081  13.716  -1.079
   12    HA   SER   3           HA       SER   3  11.624  12.705  -2.177
   13    HB2  SER   3           1HB      SER   3  12.179  14.091  -0.131
   14    HB3  SER   3           2HB      SER   3  11.228  12.944   0.830
   15    HG   SER   3           HG       SER   3  13.498  12.446   0.750
   16    H    GLY   4           H        GLY   4  12.033  10.452  -1.460
   17    HA2  GLY   4           1HA      GLY   4  11.464   8.271  -1.001
   18    HA3  GLY   4           2HA      GLY   4   9.963   8.836  -0.273
   19    H    SER   5           H        SER   5   9.612  10.114  -3.236
   20    HA   SER   5           HA       SER   5   7.764   8.134  -4.170
   21    HB2  SER   5           1HB      SER   5   7.551   9.678  -6.121
   22    HB3  SER   5           2HB      SER   5   7.373  10.474  -4.548
   23    HG   SER   5           HG       SER   5   8.756  11.643  -5.980
   24    H    SER   6           H        SER   6  11.168   8.362  -4.686
   25    HA   SER   6           HA       SER   6  11.241   6.734  -7.124
   26    HB2  SER   6           1HB      SER   6  13.681   6.644  -6.603
   27    HB3  SER   6           2HB      SER   6  13.032   8.288  -6.730
   28    HG   SER   6           HG       SER   6  14.391   8.014  -4.884
   29    H    GLY   7           H        GLY   7  11.166   6.156  -3.655
   30    HA2  GLY   7           1HA      GLY   7  11.871   3.278  -3.900
   31    HA3  GLY   7           2HA      GLY   7  11.620   4.206  -2.416
   32    H    LEU   8           H        LEU   8   9.118   5.334  -2.894
   33    HA   LEU   8           HA       LEU   8   7.361   2.955  -2.608
   34    HB2  LEU   8           1HB      LEU   8   6.911   5.864  -1.863
   35    HB3  LEU   8           2HB      LEU   8   5.817   4.523  -1.525
   36    HG   LEU   8           HG       LEU   8   8.640   4.822  -0.391
   37   HD11  LEU   8          1HD1      LEU   8   7.044   6.467   0.506
   38   HD12  LEU   8          2HD1      LEU   8   7.511   5.273   1.727
   39   HD13  LEU   8          3HD1      LEU   8   5.922   5.152   0.938
   40   HD21  LEU   8          3HD2      LEU   8   7.992   2.967   1.116
   41   HD22  LEU   8          1HD2      LEU   8   8.000   2.439  -0.570
   42   HD23  LEU   8          2HD2      LEU   8   6.458   2.792   0.243
   43    H    LEU   9           H        LEU   9   6.062   2.360  -4.103
   44    HA   LEU   9           HA       LEU   9   5.505   4.142  -6.461
   45    HB2  LEU   9           1HB      LEU   9   6.209   1.192  -6.255
   46    HB3  LEU   9           2HB      LEU   9   5.690   1.972  -7.737
   47    HG   LEU   9           HG       LEU   9   8.221   2.652  -6.160
   48   HD11  LEU   9          1HD1      LEU   9   8.303   0.445  -7.248
   49   HD12  LEU   9          2HD1      LEU   9   9.399   1.591  -8.033
   50   HD13  LEU   9          3HD1      LEU   9   7.848   1.183  -8.802
   51   HD21  LEU   9          3HD2      LEU   9   8.868   3.942  -8.183
   52   HD22  LEU   9          1HD2      LEU   9   7.458   4.634  -7.387
   53   HD23  LEU   9          2HD2      LEU   9   7.250   3.668  -8.868
   54    H    TYR  10           H        TYR  10   4.082   1.860  -4.230
   55    HA   TYR  10           HA       TYR  10   1.506   1.869  -5.766
   56    HB2  TYR  10           1HB      TYR  10   2.591  -0.239  -3.867
   57    HB3  TYR  10           2HB      TYR  10   1.063  -0.304  -4.706
   58    HD1  TYR  10           1HD      TYR  10   4.746  -0.443  -5.143
   59    HD2  TYR  10           2HD      TYR  10   0.915  -0.817  -7.091
   60    HE1  TYR  10           1HE      TYR  10   5.869  -1.347  -7.186
   61    HE2  TYR  10           2HE      TYR  10   2.026  -1.754  -9.107
   62    HH   TYR  10           HH       TYR  10   4.019  -2.321 -10.096
   63    H    ASP  11           H        ASP  11  -0.401   2.335  -4.723
   64    HA   ASP  11           HA       ASP  11  -0.177   3.360  -1.930
   65    HB2  ASP  11           1HB      ASP  11  -1.370   5.296  -2.528
   66    HB3  ASP  11           2HB      ASP  11  -0.043   5.125  -3.668
   67    H    CYS  12           H        CYS  12  -1.788   3.212  -0.560
   68    HA   CYS  12           HA       CYS  12  -4.063   1.421  -1.029
   69    HB2  CYS  12           1HB      CYS  12  -2.841   1.340   1.061
   70    HB3  CYS  12           2HB      CYS  12  -3.099   3.076   1.329
   71    H    HIS  13           H        HIS  13  -6.035   2.041  -1.612
   72    HA   HIS  13           HA       HIS  13  -6.698   4.912  -1.881
   73    HB2  HIS  13           1HB      HIS  13  -8.549   4.176  -3.266
   74    HB3  HIS  13           2HB      HIS  13  -7.004   3.574  -3.838
   75    HD1  HIS  13           1HD      HIS  13  -6.826   0.961  -4.144
   76    HD2  HIS  13           2HD      HIS  13 -10.246   2.317  -2.105
   77    HE1  HIS  13           1HE      HIS  13  -8.375  -1.054  -3.926
   78    H    ILE  14           H        ILE  14  -6.911   2.874   0.654
   79    HA   ILE  14           HA       ILE  14  -9.581   3.861   1.592
   80    HB   ILE  14           HB       ILE  14  -7.840   1.782   2.879
   81   HG12  ILE  14          1HG1      ILE  14  -8.441   0.914   0.681
   82   HG13  ILE  14          2HG1      ILE  14  -9.231   0.047   1.975
   83   HG21  ILE  14          1HG2      ILE  14  -9.399   2.736   4.449
   84   HG22  ILE  14          2HG2      ILE  14 -10.742   2.583   3.300
   85   HG23  ILE  14          3HG2      ILE  14  -9.991   1.137   4.002
   86   HD11  ILE  14          3HD1      ILE  14 -10.699   0.353   0.079
   87   HD12  ILE  14          1HD1      ILE  14 -11.350   1.160   1.513
   88   HD13  ILE  14          2HD1      ILE  14 -10.575   2.124   0.231
   89    H    CYS  15           H        CYS  15  -6.131   3.677   2.532
   90    HA   CYS  15           HA       CYS  15  -6.553   5.851   4.512
   91    HB2  CYS  15           1HB      CYS  15  -5.349   4.761   6.164
   92    HB3  CYS  15           2HB      CYS  15  -6.669   3.743   5.621
   93    H    GLU  16           H        GLU  16  -5.066   5.425   1.794
   94    HA   GLU  16           HA       GLU  16  -3.428   6.558   0.700
   95    HB2  GLU  16           1HB      GLU  16  -3.933   8.266   3.128
   96    HB3  GLU  16           2HB      GLU  16  -2.756   8.772   1.901
   97    HG2  GLU  16           1HG      GLU  16  -4.514   8.595   0.155
   98    HG3  GLU  16           2HG      GLU  16  -5.688   8.113   1.382
   99    H    ARG  17           H        ARG  17  -2.505   4.658   3.108
  100    HA   ARG  17           HA       ARG  17   0.327   5.198   3.345
  101    HB2  ARG  17           1HB      ARG  17  -1.528   2.906   3.904
  102    HB3  ARG  17           2HB      ARG  17   0.159   2.480   3.622
  103    HG2  ARG  17           1HG      ARG  17   0.961   3.909   5.354
  104    HG3  ARG  17           2HG      ARG  17  -0.628   4.649   5.604
  105    HD2  ARG  17           1HD      ARG  17  -0.217   1.656   5.936
  106    HD3  ARG  17           2HD      ARG  17   0.196   2.793   7.216
  107    HE   ARG  17           HE       ARG  17  -2.535   2.944   5.998
  108   HH11  ARG  17          2HH1      ARG  17  -0.737   2.174   8.920
  109   HH12  ARG  17          1HH1      ARG  17  -2.185   2.223   9.890
  110   HH21  ARG  17          2HH2      ARG  17  -4.235   2.943   7.195
  111   HH22  ARG  17          1HH2      ARG  17  -4.161   2.668   8.933
  112    H    LYS  18           H        LYS  18   2.061   4.056   2.416
  113    HA   LYS  18           HA       LYS  18   1.635   3.167  -0.392
  114    HB2  LYS  18           1HB      LYS  18   3.379   5.494   0.462
  115    HB3  LYS  18           2HB      LYS  18   3.526   4.676  -1.101
  116    HG2  LYS  18           1HG      LYS  18   1.366   5.270  -1.816
  117    HG3  LYS  18           2HG      LYS  18   0.877   5.877  -0.238
  118    HD2  LYS  18           1HD      LYS  18   3.113   7.098  -1.893
  119    HD3  LYS  18           2HD      LYS  18   1.440   7.657  -1.953
  120    HE2  LYS  18           1HE      LYS  18   3.057   7.510   0.627
  121    HE3  LYS  18           2HE      LYS  18   3.035   8.939  -0.410
  122    HZ1  LYS  18           3HZ      LYS  18   1.384   9.119   1.359
  123    HZ2  LYS  18           1HZ      LYS  18   0.603   7.770   0.877
  124    HZ3  LYS  18           2HZ      LYS  18   0.634   9.092  -0.085
  125    H    PHE  19           H        PHE  19   3.246   2.058  -1.370
  126    HA   PHE  19           HA       PHE  19   5.203   0.677   0.435
  127    HB2  PHE  19           1HB      PHE  19   3.173  -0.617  -1.402
  128    HB3  PHE  19           2HB      PHE  19   4.300  -1.462  -0.374
  129    HD1  PHE  19           1HD      PHE  19   4.042  -1.496   2.105
  130    HD2  PHE  19           2HD      PHE  19   1.144   0.419  -0.443
  131    HE1  PHE  19           1HE      PHE  19   2.477  -1.310   4.027
  132    HE2  PHE  19           2HE      PHE  19  -0.409   0.642   1.494
  133    HZ   PHE  19           HZ       PHE  19   0.267  -0.217   3.733
  134    H    LYS  20           H        LYS  20   6.720  -0.709  -0.589
  135    HA   LYS  20           HA       LYS  20   7.959   0.485  -2.912
  136    HB2  LYS  20           1HB      LYS  20   8.643  -2.090  -1.417
  137    HB3  LYS  20           2HB      LYS  20   9.679  -1.270  -2.587
  138    HG2  LYS  20           1HG      LYS  20   9.780   0.719  -1.086
  139    HG3  LYS  20           2HG      LYS  20   8.798  -0.160   0.110
  140    HD2  LYS  20           1HD      LYS  20  10.523  -1.947   0.202
  141    HD3  LYS  20           2HD      LYS  20  11.542  -1.033  -0.914
  142    HE2  LYS  20           1HE      LYS  20  10.589  -0.025   1.811
  143    HE3  LYS  20           2HE      LYS  20  12.135  -0.831   1.536
  144    HZ1  LYS  20           3HZ      LYS  20  12.411   1.561   1.493
  145    HZ2  LYS  20           1HZ      LYS  20  11.325   1.740   0.289
  146    HZ3  LYS  20           2HZ      LYS  20  12.742   0.968   0.012
  147    H    ASN  21           H        ASN  21   6.133  -2.477  -2.421
  148    HA   ASN  21           HA       ASN  21   6.270  -3.077  -5.350
  149    HB2  ASN  21           1HB      ASN  21   6.062  -5.121  -3.108
  150    HB3  ASN  21           2HB      ASN  21   6.229  -5.446  -4.828
  151   HD21  ASN  21          1HD2      ASN  21   7.866  -4.897  -1.892
  152   HD22  ASN  21          2HD2      ASN  21   9.495  -4.953  -2.564
  153    H    GLU  22           H        GLU  22   4.480  -4.195  -6.225
  154    HA   GLU  22           HA       GLU  22   1.888  -3.251  -5.456
  155    HB2  GLU  22           1HB      GLU  22   2.711  -4.098  -7.756
  156    HB3  GLU  22           2HB      GLU  22   2.485  -5.727  -7.133
  157    HG2  GLU  22           1HG      GLU  22   0.086  -5.239  -6.733
  158    HG3  GLU  22           2HG      GLU  22   0.321  -3.576  -7.267
  159    H    LEU  23           H        LEU  23   3.605  -6.294  -4.865
  160    HA   LEU  23           HA       LEU  23   1.613  -7.762  -3.497
  161    HB2  LEU  23           1HB      LEU  23   3.618  -8.811  -4.264
  162    HB3  LEU  23           2HB      LEU  23   4.646  -7.711  -3.341
  163    HG   LEU  23           HG       LEU  23   3.866  -8.709  -1.220
  164   HD11  LEU  23          1HD1      LEU  23   1.623  -9.501  -1.846
  165   HD12  LEU  23          2HD1      LEU  23   2.602 -10.839  -1.246
  166   HD13  LEU  23          3HD1      LEU  23   2.334 -10.659  -2.995
  167   HD21  LEU  23          3HD2      LEU  23   5.873  -9.567  -2.345
  168   HD22  LEU  23          1HD2      LEU  23   4.883 -10.746  -3.237
  169   HD23  LEU  23          2HD2      LEU  23   5.026 -10.852  -1.466
  170    H    ASP  24           H        ASP  24   4.129  -5.565  -2.073
  171    HA   ASP  24           HA       ASP  24   3.320  -5.980   0.614
  172    HB2  ASP  24           1HB      ASP  24   4.811  -3.710  -0.730
  173    HB3  ASP  24           2HB      ASP  24   4.542  -3.781   1.015
  174    H    ARG  25           H        ARG  25   2.079  -3.728  -1.764
  175    HA   ARG  25           HA       ARG  25   0.312  -2.318   0.122
  176    HB2  ARG  25           1HB      ARG  25   1.305  -1.337  -1.982
  177    HB3  ARG  25           2HB      ARG  25   0.310  -2.372  -2.927
  178    HG2  ARG  25           1HG      ARG  25  -0.827  -0.381  -0.876
  179    HG3  ARG  25           2HG      ARG  25  -0.424   0.075  -2.532
  180    HD2  ARG  25           1HD      ARG  25  -2.553  -1.847  -1.600
  181    HD3  ARG  25           2HD      ARG  25  -2.762  -0.306  -2.406
  182    HE   ARG  25           HE       ARG  25  -1.488  -2.715  -3.612
  183   HH11  ARG  25          2HH1      ARG  25  -2.998   0.374  -4.290
  184   HH12  ARG  25          1HH1      ARG  25  -3.420  -0.103  -5.917
  185   HH21  ARG  25          1HH2      ARG  25  -2.333  -3.358  -5.499
  186   HH22  ARG  25          2HH2      ARG  25  -2.953  -2.178  -6.648
  187    H    ASP  26           H        ASP  26  -0.067  -4.904  -2.321
  188    HA   ASP  26           HA       ASP  26  -2.875  -5.173  -2.058
  189    HB2  ASP  26           1HB      ASP  26  -0.658  -7.004  -3.025
  190    HB3  ASP  26           2HB      ASP  26  -2.298  -7.594  -2.870
  191    H    ARG  27           H        ARG  27  -0.242  -6.826  -0.239
  192    HA   ARG  27           HA       ARG  27  -2.080  -8.342   1.420
  193    HB2  ARG  27           1HB      ARG  27  -0.225  -8.952   2.763
  194    HB3  ARG  27           2HB      ARG  27   0.183  -9.109   1.052
  195    HG2  ARG  27           1HG      ARG  27   1.465  -7.029   1.135
  196    HG3  ARG  27           2HG      ARG  27   0.984  -6.725   2.779
  197    HD2  ARG  27           1HD      ARG  27   2.156  -8.871   3.454
  198    HD3  ARG  27           2HD      ARG  27   2.663  -9.068   1.776
  199    HE   ARG  27           HE       ARG  27   4.267  -7.370   2.022
  200   HH11  ARG  27          2HH1      ARG  27   2.367  -7.420   4.985
  201   HH12  ARG  27          1HH1      ARG  27   3.480  -6.343   5.782
  202   HH21  ARG  27          2HH2      ARG  27   5.529  -6.041   3.014
  203   HH22  ARG  27          1HH2      ARG  27   5.280  -5.579   4.698
  204    H    HIS  28           H        HIS  28  -0.996  -5.034   1.637
  205    HA   HIS  28           HA       HIS  28  -2.011  -4.646   4.371
  206    HB2  HIS  28           1HB      HIS  28  -0.298  -3.166   3.721
  207    HB3  HIS  28           2HB      HIS  28  -1.015  -2.829   2.156
  208    HD1  HIS  28           1HD      HIS  28  -1.538  -1.925   5.848
  209    HD2  HIS  28           2HD      HIS  28  -2.946  -1.025   1.986
  210    HE1  HIS  28           1HE      HIS  28  -3.075   0.071   6.122
  211    H    MET  29           H        MET  29  -3.462  -4.247   1.046
  212    HA   MET  29           HA       MET  29  -5.860  -3.083   1.930
  213    HB2  MET  29           1HB      MET  29  -5.680  -5.164  -0.272
  214    HB3  MET  29           2HB      MET  29  -6.913  -3.929  -0.066
  215    HG2  MET  29           1HG      MET  29  -4.031  -3.557  -0.863
  216    HG3  MET  29           2HG      MET  29  -5.454  -3.223  -1.820
  217    HE1  MET  29           3HE      MET  29  -6.766   0.137  -0.523
  218    HE2  MET  29           1HE      MET  29  -6.916  -1.199  -1.683
  219    HE3  MET  29           2HE      MET  29  -7.385  -1.445   0.013
  220    H    LEU  30           H        LEU  30  -4.827  -6.367   2.461
  221    HA   LEU  30           HA       LEU  30  -7.291  -7.649   3.070
  222    HB2  LEU  30           1HB      LEU  30  -4.595  -8.041   4.424
  223    HB3  LEU  30           2HB      LEU  30  -5.924  -9.183   4.394
  224    HG   LEU  30           HG       LEU  30  -4.267  -8.317   1.986
  225   HD11  LEU  30          1HD1      LEU  30  -4.389 -10.967   3.482
  226   HD12  LEU  30          2HD1      LEU  30  -3.071  -9.781   3.581
  227   HD13  LEU  30          3HD1      LEU  30  -3.398 -10.609   2.050
  228   HD21  LEU  30          3HD2      LEU  30  -5.393 -10.137   0.774
  229   HD22  LEU  30          1HD2      LEU  30  -6.531  -8.871   1.246
  230   HD23  LEU  30          2HD2      LEU  30  -6.478 -10.399   2.160
  231    H    VAL  31           H        VAL  31  -5.471  -5.264   4.972
  232    HA   VAL  31           HA       VAL  31  -6.834  -5.827   7.473
  233    HB   VAL  31           HB       VAL  31  -5.793  -4.021   8.413
  234   HG11  VAL  31          1HG1      VAL  31  -3.474  -4.165   7.905
  235   HG12  VAL  31          2HG1      VAL  31  -4.211  -5.769   7.745
  236   HG13  VAL  31          3HG1      VAL  31  -3.797  -4.827   6.298
  237   HG21  VAL  31          3HG2      VAL  31  -4.605  -2.192   7.151
  238   HG22  VAL  31          1HG2      VAL  31  -5.524  -2.697   5.719
  239   HG23  VAL  31          2HG2      VAL  31  -6.366  -2.134   7.165
  240    H    HIS  32           H        HIS  32  -7.680  -4.024   4.660
  241    HA   HIS  32           HA       HIS  32  -9.997  -2.682   5.951
  242    HB2  HIS  32           1HB      HIS  32  -9.053  -2.528   3.069
  243    HB3  HIS  32           2HB      HIS  32 -10.186  -1.462   3.897
  244    HD1  HIS  32           1HD      HIS  32  -8.701  -0.426   6.346
  245    HD2  HIS  32           2HD      HIS  32  -6.938  -1.143   2.597
  246    HE1  HIS  32           1HE      HIS  32  -6.632   1.042   6.273
  247    H    GLY  33           H        GLY  33  -9.254  -5.194   3.546
  248    HA2  GLY  33           1HA      GLY  33 -10.447  -7.145   3.134
  249    HA3  GLY  33           2HA      GLY  33 -11.807  -6.536   4.065
  250    H    ASP  34           H        ASP  34 -12.736  -7.762   2.170
  251    HA   ASP  34           HA       ASP  34 -13.315  -5.977  -0.156
  252    HB2  ASP  34           1HB      ASP  34 -11.896  -8.000  -0.607
  253    HB3  ASP  34           2HB      ASP  34 -13.247  -9.011  -0.101
  254    H    LYS  35           H        LYS  35 -14.670  -6.051   2.402
  255    HA   LYS  35           HA       LYS  35 -17.146  -7.513   2.297
  256    HB2  LYS  35           1HB      LYS  35 -17.639  -6.338   4.370
  257    HB3  LYS  35           2HB      LYS  35 -15.963  -6.880   4.357
  258    HG2  LYS  35           1HG      LYS  35 -15.325  -4.497   3.602
  259    HG3  LYS  35           2HG      LYS  35 -17.002  -4.040   3.945
  260    HD2  LYS  35           1HD      LYS  35 -16.700  -4.877   6.291
  261    HD3  LYS  35           2HD      LYS  35 -15.006  -5.229   5.932
  262    HE2  LYS  35           1HE      LYS  35 -16.343  -2.484   5.867
  263    HE3  LYS  35           2HE      LYS  35 -15.288  -3.101   7.140
  264    HZ1  LYS  35           3HZ      LYS  35 -13.995  -1.731   5.700
  265    HZ2  LYS  35           1HZ      LYS  35 -14.484  -2.488   4.349
  266    HZ3  LYS  35           2HZ      LYS  35 -13.499  -3.262   5.400
  267    H    TRP  36           H        TRP  36 -16.300  -4.559   0.869
  268    HA   TRP  36           HA       TRP  36 -19.014  -3.429   0.672
  269    HB2  TRP  36           1HB      TRP  36 -17.462  -1.685  -0.675
  270    HB3  TRP  36           2HB      TRP  36 -17.744  -1.652   1.050
  271    HD1  TRP  36           1HD      TRP  36 -15.136  -3.712  -0.967
  272    HE1  TRP  36           1HE      TRP  36 -12.832  -3.418   0.155
  273    HE3  TRP  36           3HE      TRP  36 -16.390  -0.268   2.625
  274    HZ2  TRP  36           2HZ      TRP  36 -11.663  -1.771   2.170
  275    HZ3  TRP  36           3HZ      TRP  36 -14.637   0.690   4.099
  276    HH2  TRP  36           2HH      TRP  36 -12.269  -0.043   3.885
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  19.211   2.862  -6.780
    2    H2   GLY   1           2H       GLY   1  19.709   1.714  -5.723
    3    H3   GLY   1           3H       GLY   1  19.321   1.296  -7.260
    4    HA2  GLY   1           1HA      GLY   1  21.717   1.303  -6.975
    5    HA3  GLY   1           2HA      GLY   1  21.184   2.521  -8.149
    6    H    SER   2           H        SER   2  22.393   4.335  -7.902
    7    HA   SER   2           HA       SER   2  23.747   5.154  -5.525
    8    HB2  SER   2           1HB      SER   2  24.089   7.278  -6.776
    9    HB3  SER   2           2HB      SER   2  24.507   5.830  -7.706
   10    HG   SER   2           HG       SER   2  23.254   7.330  -8.932
   11    H    SER   3           H        SER   3  20.443   5.540  -6.408
   12    HA   SER   3           HA       SER   3  19.568   7.746  -4.848
   13    HB2  SER   3           1HB      SER   3  17.406   6.453  -4.885
   14    HB3  SER   3           2HB      SER   3  18.151   6.642  -6.483
   15    HG   SER   3           HG       SER   3  17.369   4.446  -5.784
   16    H    GLY   4           H        GLY   4  20.611   4.521  -3.855
   17    HA2  GLY   4           1HA      GLY   4  20.867   3.549  -1.789
   18    HA3  GLY   4           2HA      GLY   4  20.434   5.078  -1.022
   19    H    SER   5           H        SER   5  17.954   4.148  -3.167
   20    HA   SER   5           HA       SER   5  16.455   2.414  -1.328
   21    HB2  SER   5           1HB      SER   5  16.111   4.650  -0.340
   22    HB3  SER   5           2HB      SER   5  15.543   5.265  -1.904
   23    HG   SER   5           HG       SER   5  13.873   4.589  -0.367
   24    H    SER   6           H        SER   6  14.648   1.463  -2.267
   25    HA   SER   6           HA       SER   6  14.360   1.498  -5.184
   26    HB2  SER   6           1HB      SER   6  12.671   0.144  -3.047
   27    HB3  SER   6           2HB      SER   6  12.605  -0.163  -4.793
   28    HG   SER   6           HG       SER   6  13.910  -1.706  -3.692
   29    H    GLY   7           H        GLY   7  13.067   3.407  -2.636
   30    HA2  GLY   7           1HA      GLY   7  11.503   5.114  -2.635
   31    HA3  GLY   7           2HA      GLY   7  11.224   4.855  -4.356
   32    H    LEU   8           H        LEU   8   9.061   5.484  -3.357
   33    HA   LEU   8           HA       LEU   8   7.472   3.017  -2.781
   34    HB2  LEU   8           1HB      LEU   8   6.784   5.892  -2.079
   35    HB3  LEU   8           2HB      LEU   8   5.773   4.478  -1.789
   36    HG   LEU   8           HG       LEU   8   8.491   4.992  -0.496
   37   HD11  LEU   8          1HD1      LEU   8   6.710   6.521   0.286
   38   HD12  LEU   8          2HD1      LEU   8   7.214   5.385   1.548
   39   HD13  LEU   8          3HD1      LEU   8   5.688   5.120   0.681
   40   HD21  LEU   8          3HD2      LEU   8   7.997   2.562  -0.695
   41   HD22  LEU   8          1HD2      LEU   8   6.425   2.831   0.085
   42   HD23  LEU   8          2HD2      LEU   8   7.930   3.107   0.983
   43    H    LEU   9           H        LEU   9   5.993   2.448  -4.151
   44    HA   LEU   9           HA       LEU   9   5.534   4.082  -6.636
   45    HB2  LEU   9           1HB      LEU   9   6.226   1.145  -6.254
   46    HB3  LEU   9           2HB      LEU   9   5.679   1.819  -7.780
   47    HG   LEU   9           HG       LEU   9   8.236   2.617  -6.307
   48   HD11  LEU   9          1HD1      LEU   9   8.304   0.330  -7.218
   49   HD12  LEU   9          2HD1      LEU   9   9.382   1.412  -8.112
   50   HD13  LEU   9          3HD1      LEU   9   7.816   0.940  -8.815
   51   HD21  LEU   9          3HD2      LEU   9   7.206   3.400  -9.073
   52   HD22  LEU   9          1HD2      LEU   9   8.836   3.739  -8.448
   53   HD23  LEU   9          2HD2      LEU   9   7.434   4.490  -7.685
   54    H    TYR  10           H        TYR  10   4.056   1.932  -4.293
   55    HA   TYR  10           HA       TYR  10   1.486   1.955  -5.836
   56    HB2  TYR  10           1HB      TYR  10   2.534  -0.190  -3.956
   57    HB3  TYR  10           2HB      TYR  10   1.006  -0.209  -4.810
   58    HD1  TYR  10           1HD      TYR  10   4.692  -0.423  -5.224
   59    HD2  TYR  10           2HD      TYR  10   0.857  -0.728  -7.178
   60    HE1  TYR  10           1HE      TYR  10   5.799  -1.333  -7.274
   61    HE2  TYR  10           2HE      TYR  10   1.951  -1.693  -9.187
   62    HH   TYR  10           HH       TYR  10   3.937  -2.281 -10.182
   63    H    ASP  11           H        ASP  11  -0.445   2.289  -4.729
   64    HA   ASP  11           HA       ASP  11  -0.192   3.372  -1.961
   65    HB2  ASP  11           1HB      ASP  11  -1.438   5.282  -2.563
   66    HB3  ASP  11           2HB      ASP  11  -0.115   5.133  -3.711
   67    H    CYS  12           H        CYS  12  -1.801   3.215  -0.577
   68    HA   CYS  12           HA       CYS  12  -4.070   1.406  -1.046
   69    HB2  CYS  12           1HB      CYS  12  -2.844   1.277   1.033
   70    HB3  CYS  12           2HB      CYS  12  -3.069   3.014   1.327
   71    H    HIS  13           H        HIS  13  -6.072   2.034  -1.533
   72    HA   HIS  13           HA       HIS  13  -6.698   4.915  -1.819
   73    HB2  HIS  13           1HB      HIS  13  -8.525   4.241  -3.219
   74    HB3  HIS  13           2HB      HIS  13  -7.022   3.515  -3.766
   75    HD1  HIS  13           1HD      HIS  13 -10.354   2.525  -2.112
   76    HD2  HIS  13           2HD      HIS  13  -6.924   0.857  -3.888
   77    HE1  HIS  13           1HE      HIS  13 -10.864   0.047  -2.465
   78    H    ILE  14           H        ILE  14  -6.894   2.909   0.724
   79    HA   ILE  14           HA       ILE  14  -9.569   3.873   1.675
   80    HB   ILE  14           HB       ILE  14  -7.813   1.781   2.921
   81   HG12  ILE  14          1HG1      ILE  14  -8.415   0.952   0.708
   82   HG13  ILE  14          2HG1      ILE  14  -9.196   0.056   1.987
   83   HG21  ILE  14          1HG2      ILE  14  -9.366   2.687   4.519
   84   HG22  ILE  14          2HG2      ILE  14 -10.714   2.565   3.373
   85   HG23  ILE  14          3HG2      ILE  14  -9.960   1.101   4.036
   86   HD11  ILE  14          3HD1      ILE  14 -11.320   1.188   1.565
   87   HD12  ILE  14          1HD1      ILE  14 -10.551   2.149   0.274
   88   HD13  ILE  14          2HD1      ILE  14 -10.684   0.377   0.126
   89    H    CYS  15           H        CYS  15  -6.111   3.729   2.576
   90    HA   CYS  15           HA       CYS  15  -6.550   5.810   4.652
   91    HB2  CYS  15           1HB      CYS  15  -5.327   4.655   6.256
   92    HB3  CYS  15           2HB      CYS  15  -6.630   3.620   5.677
   93    H    GLU  16           H        GLU  16  -5.031   5.321   1.901
   94    HA   GLU  16           HA       GLU  16  -3.484   6.457   0.764
   95    HB2  GLU  16           1HB      GLU  16  -4.697   8.226   2.363
   96    HB3  GLU  16           2HB      GLU  16  -3.047   8.452   2.943
   97    HG2  GLU  16           1HG      GLU  16  -2.339   8.810   0.523
   98    HG3  GLU  16           2HG      GLU  16  -4.034   8.655   0.059
   99    H    ARG  17           H        ARG  17  -2.496   4.593   3.133
  100    HA   ARG  17           HA       ARG  17   0.336   5.147   3.350
  101    HB2  ARG  17           1HB      ARG  17  -1.498   2.834   3.887
  102    HB3  ARG  17           2HB      ARG  17   0.183   2.413   3.560
  103    HG2  ARG  17           1HG      ARG  17   1.025   3.794   5.309
  104    HG3  ARG  17           2HG      ARG  17  -0.553   4.545   5.601
  105    HD2  ARG  17           1HD      ARG  17  -0.159   1.544   5.867
  106    HD3  ARG  17           2HD      ARG  17   0.276   2.654   7.164
  107    HE   ARG  17           HE       ARG  17  -2.466   2.849   5.980
  108   HH11  ARG  17          2HH1      ARG  17  -0.649   1.992   8.864
  109   HH12  ARG  17          1HH1      ARG  17  -2.085   2.032   9.850
  110   HH21  ARG  17          2HH2      ARG  17  -4.157   2.838   7.196
  111   HH22  ARG  17          1HH2      ARG  17  -4.066   2.519   8.924
  112    H    LYS  18           H        LYS  18   2.066   4.052   2.374
  113    HA   LYS  18           HA       LYS  18   1.620   3.206  -0.445
  114    HB2  LYS  18           1HB      LYS  18   3.307   5.565   0.429
  115    HB3  LYS  18           2HB      LYS  18   3.489   4.765  -1.141
  116    HG2  LYS  18           1HG      LYS  18   1.299   5.292  -1.847
  117    HG3  LYS  18           2HG      LYS  18   0.808   5.893  -0.267
  118    HD2  LYS  18           1HD      LYS  18   2.997   7.155  -1.955
  119    HD3  LYS  18           2HD      LYS  18   1.313   7.681  -1.987
  120    HE2  LYS  18           1HE      LYS  18   2.983   7.575   0.560
  121    HE3  LYS  18           2HE      LYS  18   2.906   9.000  -0.478
  122    HZ1  LYS  18           3HZ      LYS  18   1.291   9.148   1.328
  123    HZ2  LYS  18           1HZ      LYS  18   0.531   7.779   0.864
  124    HZ3  LYS  18           2HZ      LYS  18   0.511   9.100  -0.101
  125    H    PHE  19           H        PHE  19   3.237   2.126  -1.452
  126    HA   PHE  19           HA       PHE  19   5.178   0.732   0.364
  127    HB2  PHE  19           1HB      PHE  19   3.179  -0.479  -1.551
  128    HB3  PHE  19           2HB      PHE  19   4.317  -1.374  -0.573
  129    HD1  PHE  19           1HD      PHE  19   4.107  -1.575   1.853
  130    HD2  PHE  19           2HD      PHE  19   1.138   0.506  -0.463
  131    HE1  PHE  19           1HE      PHE  19   2.617  -1.564   3.808
  132    HE2  PHE  19           2HE      PHE  19  -0.335   0.626   1.545
  133    HZ   PHE  19           HZ       PHE  19   0.415  -0.376   3.702
  134    H    LYS  20           H        LYS  20   6.634  -0.717  -0.634
  135    HA   LYS  20           HA       LYS  20   8.063   0.522  -2.822
  136    HB2  LYS  20           1HB      LYS  20   8.683  -2.124  -1.421
  137    HB3  LYS  20           2HB      LYS  20   9.764  -1.162  -2.409
  138    HG2  LYS  20           1HG      LYS  20  10.531  -0.534  -0.372
  139    HG3  LYS  20           2HG      LYS  20   9.335   0.723  -0.627
  140    HD2  LYS  20           1HD      LYS  20   9.155  -0.018   1.645
  141    HD3  LYS  20           2HD      LYS  20   7.725  -0.635   0.824
  142    HE2  LYS  20           1HE      LYS  20   8.975  -2.846   0.519
  143    HE3  LYS  20           2HE      LYS  20  10.268  -2.166   1.514
  144    HZ1  LYS  20           3HZ      LYS  20   8.535  -1.879   3.290
  145    HZ2  LYS  20           1HZ      LYS  20   8.809  -3.440   2.904
  146    HZ3  LYS  20           2HZ      LYS  20   7.462  -2.710   2.356
  147    H    ASN  21           H        ASN  21   6.271  -2.510  -2.462
  148    HA   ASN  21           HA       ASN  21   6.207  -2.790  -5.426
  149    HB2  ASN  21           1HB      ASN  21   6.291  -5.292  -5.116
  150    HB3  ASN  21           2HB      ASN  21   7.792  -4.464  -4.828
  151   HD21  ASN  21          1HD2      ASN  21   8.803  -4.709  -2.845
  152   HD22  ASN  21          2HD2      ASN  21   8.071  -5.609  -1.522
  153    H    GLU  22           H        GLU  22   4.471  -4.067  -6.215
  154    HA   GLU  22           HA       GLU  22   1.940  -3.171  -5.317
  155    HB2  GLU  22           1HB      GLU  22   2.708  -3.987  -7.653
  156    HB3  GLU  22           2HB      GLU  22   2.454  -5.620  -7.057
  157    HG2  GLU  22           1HG      GLU  22   0.073  -5.084  -6.608
  158    HG3  GLU  22           2HG      GLU  22   0.338  -3.418  -7.114
  159    H    LEU  23           H        LEU  23   3.664  -6.215  -4.784
  160    HA   LEU  23           HA       LEU  23   1.644  -7.727  -3.495
  161    HB2  LEU  23           1HB      LEU  23   3.609  -8.794  -4.299
  162    HB3  LEU  23           2HB      LEU  23   4.681  -7.723  -3.410
  163    HG   LEU  23           HG       LEU  23   3.903  -8.743  -1.255
  164   HD11  LEU  23          1HD1      LEU  23   2.341 -10.649  -3.052
  165   HD12  LEU  23          2HD1      LEU  23   1.647  -9.505  -1.882
  166   HD13  LEU  23          3HD1      LEU  23   2.619 -10.858  -1.309
  167   HD21  LEU  23          3HD2      LEU  23   4.870 -10.763  -3.319
  168   HD22  LEU  23          1HD2      LEU  23   5.033 -10.898  -1.552
  169   HD23  LEU  23          2HD2      LEU  23   5.891  -9.616  -2.421
  170    H    ASP  24           H        ASP  24   4.165  -5.613  -1.971
  171    HA   ASP  24           HA       ASP  24   3.348  -6.078   0.662
  172    HB2  ASP  24           1HB      ASP  24   5.489  -4.983  -0.234
  173    HB3  ASP  24           2HB      ASP  24   4.570  -3.476  -0.226
  174    H    ARG  25           H        ARG  25   2.138  -3.738  -1.660
  175    HA   ARG  25           HA       ARG  25   0.319  -2.367   0.197
  176    HB2  ARG  25           1HB      ARG  25   1.320  -1.370  -1.886
  177    HB3  ARG  25           2HB      ARG  25   0.344  -2.400  -2.854
  178    HG2  ARG  25           1HG      ARG  25  -0.826  -0.427  -0.807
  179    HG3  ARG  25           2HG      ARG  25  -0.409   0.036  -2.458
  180    HD2  ARG  25           1HD      ARG  25  -2.542  -1.894  -1.553
  181    HD3  ARG  25           2HD      ARG  25  -2.754  -0.348  -2.346
  182    HE   ARG  25           HE       ARG  25  -1.464  -2.746  -3.569
  183   HH11  ARG  25          2HH1      ARG  25  -3.019   0.328  -4.236
  184   HH12  ARG  25          1HH1      ARG  25  -3.463  -0.163  -5.853
  185   HH21  ARG  25          2HH2      ARG  25  -2.318  -3.397  -5.449
  186   HH22  ARG  25          1HH2      ARG  25  -2.963  -2.221  -6.588
  187    H    ASP  26           H        ASP  26  -0.043  -4.926  -2.283
  188    HA   ASP  26           HA       ASP  26  -2.845  -5.214  -2.032
  189    HB2  ASP  26           1HB      ASP  26  -0.618  -7.026  -2.994
  190    HB3  ASP  26           2HB      ASP  26  -2.250  -7.637  -2.837
  191    H    ARG  27           H        ARG  27  -0.228  -6.914  -0.203
  192    HA   ARG  27           HA       ARG  27  -2.130  -8.398   1.418
  193    HB2  ARG  27           1HB      ARG  27  -0.321  -9.057   2.795
  194    HB3  ARG  27           2HB      ARG  27   0.116  -9.231   1.096
  195    HG2  ARG  27           1HG      ARG  27   1.530  -7.273   1.187
  196    HG3  ARG  27           2HG      ARG  27   0.951  -6.832   2.783
  197    HD2  ARG  27           1HD      ARG  27   1.908  -8.972   3.676
  198    HD3  ARG  27           2HD      ARG  27   2.557  -9.320   2.060
  199    HE   ARG  27           HE       ARG  27   3.498  -6.740   2.810
  200   HH11  ARG  27          2HH1      ARG  27   3.998 -10.028   3.962
  201   HH12  ARG  27          1HH1      ARG  27   5.572  -9.630   4.597
  202   HH21  ARG  27          2HH2      ARG  27   5.390  -6.335   3.557
  203   HH22  ARG  27          1HH2      ARG  27   6.374  -7.545   4.389
  204    H    HIS  28           H        HIS  28  -1.015  -5.129   1.649
  205    HA   HIS  28           HA       HIS  28  -2.031  -4.719   4.388
  206    HB2  HIS  28           1HB      HIS  28  -0.306  -3.250   3.763
  207    HB3  HIS  28           2HB      HIS  28  -0.994  -2.909   2.188
  208    HD1  HIS  28           1HD      HIS  28  -1.556  -1.988   5.866
  209    HD2  HIS  28           2HD      HIS  28  -2.919  -1.088   1.989
  210    HE1  HIS  28           1HE      HIS  28  -3.084   0.015   6.120
  211    H    MET  29           H        MET  29  -3.452  -4.317   1.055
  212    HA   MET  29           HA       MET  29  -5.852  -3.143   1.926
  213    HB2  MET  29           1HB      MET  29  -5.648  -5.207  -0.288
  214    HB3  MET  29           2HB      MET  29  -6.895  -3.988  -0.080
  215    HG2  MET  29           1HG      MET  29  -4.009  -3.571  -0.842
  216    HG3  MET  29           2HG      MET  29  -5.422  -3.266  -1.823
  217    HE1  MET  29           3HE      MET  29  -7.422  -1.535  -0.037
  218    HE2  MET  29           1HE      MET  29  -6.831   0.063  -0.550
  219    HE3  MET  29           2HE      MET  29  -6.924  -1.266  -1.722
  220    H    LEU  30           H        LEU  30  -4.835  -6.431   2.472
  221    HA   LEU  30           HA       LEU  30  -7.321  -7.691   3.066
  222    HB2  LEU  30           1HB      LEU  30  -4.619  -8.120   4.396
  223    HB3  LEU  30           2HB      LEU  30  -5.958  -9.243   4.382
  224    HG   LEU  30           HG       LEU  30  -4.324  -8.394   1.953
  225   HD11  LEU  30          1HD1      LEU  30  -3.117  -9.865   3.532
  226   HD12  LEU  30          2HD1      LEU  30  -3.469 -10.693   2.007
  227   HD13  LEU  30          3HD1      LEU  30  -4.446 -11.042   3.452
  228   HD21  LEU  30          3HD2      LEU  30  -5.480 -10.209   0.758
  229   HD22  LEU  30          1HD2      LEU  30  -6.602  -8.934   1.243
  230   HD23  LEU  30          2HD2      LEU  30  -6.548 -10.459   2.161
  231    H    VAL  31           H        VAL  31  -5.526  -5.306   4.943
  232    HA   VAL  31           HA       VAL  31  -6.904  -5.863   7.450
  233    HB   VAL  31           HB       VAL  31  -5.853  -4.076   8.393
  234   HG11  VAL  31          1HG1      VAL  31  -4.289  -5.850   7.747
  235   HG12  VAL  31          2HG1      VAL  31  -3.840  -4.914   6.306
  236   HG13  VAL  31          3HG1      VAL  31  -3.525  -4.260   7.919
  237   HG21  VAL  31          3HG2      VAL  31  -4.616  -2.266   7.145
  238   HG22  VAL  31          1HG2      VAL  31  -5.543  -2.748   5.710
  239   HG23  VAL  31          2HG2      VAL  31  -6.376  -2.178   7.157
  240    H    HIS  32           H        HIS  32  -7.715  -4.124   4.612
  241    HA   HIS  32           HA       HIS  32 -10.015  -2.708   5.861
  242    HB2  HIS  32           1HB      HIS  32  -9.000  -2.578   3.001
  243    HB3  HIS  32           2HB      HIS  32 -10.166  -1.512   3.773
  244    HD1  HIS  32           1HD      HIS  32  -8.713  -0.503   6.299
  245    HD2  HIS  32           2HD      HIS  32  -6.901  -1.166   2.563
  246    HE1  HIS  32           1HE      HIS  32  -6.642   0.963   6.277
  247    H    GLY  33           H        GLY  33  -9.347  -4.947   3.142
  248    HA2  GLY  33           1HA      GLY  33 -10.656  -6.450   1.982
  249    HA3  GLY  33           2HA      GLY  33 -11.102  -6.956   3.609
  250    H    ASP  34           H        ASP  34 -13.190  -7.234   3.772
  251    HA   ASP  34           HA       ASP  34 -15.019  -5.024   3.080
  252    HB2  ASP  34           1HB      ASP  34 -15.209  -6.845   1.344
  253    HB3  ASP  34           2HB      ASP  34 -15.753  -7.932   2.625
  254    H    LYS  35           H        LYS  35 -13.630  -5.583   5.402
  255    HA   LYS  35           HA       LYS  35 -15.489  -6.823   7.380
  256    HB2  LYS  35           1HB      LYS  35 -13.428  -7.323   8.670
  257    HB3  LYS  35           2HB      LYS  35 -13.458  -8.069   7.074
  258    HG2  LYS  35           1HG      LYS  35 -11.946  -6.380   6.173
  259    HG3  LYS  35           2HG      LYS  35 -12.013  -5.448   7.674
  260    HD2  LYS  35           1HD      LYS  35  -9.937  -6.603   7.524
  261    HD3  LYS  35           2HD      LYS  35 -10.876  -7.316   8.848
  262    HE2  LYS  35           1HE      LYS  35 -11.410  -9.267   7.538
  263    HE3  LYS  35           2HE      LYS  35 -10.890  -8.491   6.035
  264    HZ1  LYS  35           3HZ      LYS  35  -8.626  -8.550   6.786
  265    HZ2  LYS  35           1HZ      LYS  35  -9.230 -10.066   6.881
  266    HZ3  LYS  35           2HZ      LYS  35  -9.038  -9.188   8.247
  267    H    TRP  36           H        TRP  36 -15.571  -4.088   6.491
  268    HA   TRP  36           HA       TRP  36 -14.564  -2.066   7.999
  269    HB2  TRP  36           1HB      TRP  36 -17.480  -2.051   7.221
  270    HB3  TRP  36           2HB      TRP  36 -16.329  -0.726   7.198
  271    HD1  TRP  36           1HD      TRP  36 -17.866  -3.357   5.096
  272    HE1  TRP  36           1HE      TRP  36 -16.828  -3.503   2.759
  273    HE3  TRP  36           3HE      TRP  36 -13.797  -0.331   5.855
  274    HZ2  TRP  36           2HZ      TRP  36 -14.550  -2.377   1.372
  275    HZ3  TRP  36           3HZ      TRP  36 -12.198   0.098   4.003
  276    HH2  TRP  36           2HH      TRP  36 -12.557  -0.929   1.765
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1   6.063  14.411 -10.940
    2    H2   GLY   1           2H       GLY   1   6.660  14.581 -12.458
    3    H3   GLY   1           3H       GLY   1   7.676  14.299 -11.197
    4    HA2  GLY   1           1HA      GLY   1   5.628  12.405 -12.174
    5    HA3  GLY   1           2HA      GLY   1   7.362  12.294 -12.531
    6    H    SER   2           H        SER   2   8.151  10.587 -11.365
    7    HA   SER   2           HA       SER   2   7.321   9.925  -8.655
    8    HB2  SER   2           1HB      SER   2   9.349   8.471  -8.711
    9    HB3  SER   2           2HB      SER   2   8.231   8.200 -10.059
   10    HG   SER   2           HG       SER   2  10.414   8.325 -10.769
   11    H    SER   3           H        SER   3  10.043  11.667 -10.099
   12    HA   SER   3           HA       SER   3  11.492  13.230  -9.385
   13    HB2  SER   3           1HB      SER   3   9.097  14.092  -7.749
   14    HB3  SER   3           2HB      SER   3  10.463  15.122  -8.210
   15    HG   SER   3           HG       SER   3   9.908  14.936 -10.346
   16    H    GLY   4           H        GLY   4  11.577  10.773  -7.645
   17    HA2  GLY   4           1HA      GLY   4  12.988  10.033  -5.973
   18    HA3  GLY   4           2HA      GLY   4  13.712  11.635  -5.948
   19    H    SER   5           H        SER   5  13.943  11.104  -3.661
   20    HA   SER   5           HA       SER   5  13.450  11.240  -1.454
   21    HB2  SER   5           1HB      SER   5  11.628  13.477  -2.386
   22    HB3  SER   5           2HB      SER   5  12.272  13.258  -0.750
   23    HG   SER   5           HG       SER   5  13.755  13.736  -3.138
   24    H    SER   6           H        SER   6  11.905   9.190  -2.664
   25    HA   SER   6           HA       SER   6   9.752   8.897  -0.644
   26    HB2  SER   6           1HB      SER   6   8.524   9.906  -2.433
   27    HB3  SER   6           2HB      SER   6   9.265   8.841  -3.640
   28    HG   SER   6           HG       SER   6   7.127   8.199  -2.959
   29    H    GLY   7           H        GLY   7  10.813   7.169  -3.634
   30    HA2  GLY   7           1HA      GLY   7  11.647   4.990  -3.873
   31    HA3  GLY   7           2HA      GLY   7  11.627   4.789  -2.110
   32    H    LEU   8           H        LEU   8   8.589   5.895  -2.897
   33    HA   LEU   8           HA       LEU   8   7.525   3.113  -2.774
   34    HB2  LEU   8           1HB      LEU   8   6.222   5.705  -1.908
   35    HB3  LEU   8           2HB      LEU   8   5.627   4.063  -1.645
   36    HG   LEU   8           HG       LEU   8   8.226   5.156  -0.468
   37   HD11  LEU   8          1HD1      LEU   8   5.622   4.678   0.982
   38   HD12  LEU   8          2HD1      LEU   8   6.147   6.273   0.385
   39   HD13  LEU   8          3HD1      LEU   8   7.118   5.412   1.596
   40   HD21  LEU   8          3HD2      LEU   8   8.208   2.686  -0.702
   41   HD22  LEU   8          1HD2      LEU   8   6.657   2.621   0.160
   42   HD23  LEU   8          2HD2      LEU   8   8.121   3.179   0.995
   43    H    LEU   9           H        LEU   9   6.418   2.320  -4.299
   44    HA   LEU   9           HA       LEU   9   5.688   3.966  -6.684
   45    HB2  LEU   9           1HB      LEU   9   6.339   1.029  -6.267
   46    HB3  LEU   9           2HB      LEU   9   5.766   1.688  -7.790
   47    HG   LEU   9           HG       LEU   9   8.363   2.453  -6.370
   48   HD11  LEU   9          1HD1      LEU   9   7.863   0.816  -8.892
   49   HD12  LEU   9          2HD1      LEU   9   8.372   0.175  -7.315
   50   HD13  LEU   9          3HD1      LEU   9   9.451   1.249  -8.216
   51   HD21  LEU   9          3HD2      LEU   9   7.281   3.301  -9.094
   52   HD22  LEU   9          1HD2      LEU   9   8.939   3.581  -8.520
   53   HD23  LEU   9          2HD2      LEU   9   7.589   4.360  -7.698
   54    H    TYR  10           H        TYR  10   4.215   1.950  -4.261
   55    HA   TYR  10           HA       TYR  10   1.609   1.964  -5.742
   56    HB2  TYR  10           1HB      TYR  10   2.682  -0.136  -3.824
   57    HB3  TYR  10           2HB      TYR  10   1.128  -0.167  -4.624
   58    HD1  TYR  10           1HD      TYR  10   4.787  -0.443  -5.148
   59    HD2  TYR  10           2HD      TYR  10   0.899  -0.696  -6.999
   60    HE1  TYR  10           1HE      TYR  10   5.828  -1.365  -7.231
   61    HE2  TYR  10           2HE      TYR  10   1.929  -1.658  -9.047
   62    HH   TYR  10           HH       TYR  10   3.879  -2.269 -10.094
   63    H    ASP  11           H        ASP  11  -0.278   2.374  -4.644
   64    HA   ASP  11           HA       ASP  11  -0.048   3.397  -1.858
   65    HB2  ASP  11           1HB      ASP  11  -1.229   5.368  -2.412
   66    HB3  ASP  11           2HB      ASP  11   0.123   5.232  -3.526
   67    H    CYS  12           H        CYS  12  -1.738   3.298  -0.550
   68    HA   CYS  12           HA       CYS  12  -3.967   1.460  -1.136
   69    HB2  CYS  12           1HB      CYS  12  -2.761   1.304   0.973
   70    HB3  CYS  12           2HB      CYS  12  -3.096   3.012   1.325
   71    H    HIS  13           H        HIS  13  -5.892   2.134  -1.853
   72    HA   HIS  13           HA       HIS  13  -6.531   5.007  -1.945
   73    HB2  HIS  13           1HB      HIS  13  -8.286   4.451  -3.445
   74    HB3  HIS  13           2HB      HIS  13  -6.793   3.686  -3.965
   75    HD1  HIS  13           1HD      HIS  13 -10.175   2.755  -2.339
   76    HD2  HIS  13           2HD      HIS  13  -6.921   1.090  -4.420
   77    HE1  HIS  13           1HE      HIS  13 -10.858   0.371  -2.945
   78    H    ILE  14           H        ILE  14  -6.813   2.929   0.508
   79    HA   ILE  14           HA       ILE  14  -9.532   3.821   1.382
   80    HB   ILE  14           HB       ILE  14  -7.792   1.731   2.657
   81   HG12  ILE  14          1HG1      ILE  14  -8.275   0.996   0.354
   82   HG13  ILE  14          2HG1      ILE  14  -9.031   0.003   1.581
   83   HG21  ILE  14          1HG2      ILE  14 -10.011   0.987   3.613
   84   HG22  ILE  14          2HG2      ILE  14  -9.447   2.554   4.189
   85   HG23  ILE  14          3HG2      ILE  14 -10.726   2.472   2.962
   86   HD11  ILE  14          3HD1      ILE  14 -11.207   0.993   1.151
   87   HD12  ILE  14          1HD1      ILE  14 -10.480   2.116  -0.035
   88   HD13  ILE  14          2HD1      ILE  14 -10.482   0.358  -0.335
   89    H    CYS  15           H        CYS  15  -6.117   3.722   2.416
   90    HA   CYS  15           HA       CYS  15  -6.667   5.757   4.514
   91    HB2  CYS  15           1HB      CYS  15  -5.501   4.570   6.143
   92    HB3  CYS  15           2HB      CYS  15  -6.751   3.521   5.471
   93    H    GLU  16           H        GLU  16  -5.003   5.323   1.821
   94    HA   GLU  16           HA       GLU  16  -3.416   6.496   0.790
   95    HB2  GLU  16           1HB      GLU  16  -4.725   8.222   2.357
   96    HB3  GLU  16           2HB      GLU  16  -3.109   8.457   3.021
   97    HG2  GLU  16           1HG      GLU  16  -2.280   8.918   0.677
   98    HG3  GLU  16           2HG      GLU  16  -3.922   8.668   0.083
   99    H    ARG  17           H        ARG  17  -2.522   4.540   3.085
  100    HA   ARG  17           HA       ARG  17   0.307   5.138   3.438
  101    HB2  ARG  17           1HB      ARG  17  -1.526   2.802   3.901
  102    HB3  ARG  17           2HB      ARG  17   0.172   2.408   3.649
  103    HG2  ARG  17           1HG      ARG  17   0.916   3.771   5.446
  104    HG3  ARG  17           2HG      ARG  17  -0.668   4.533   5.655
  105    HD2  ARG  17           1HD      ARG  17  -0.311   1.529   5.962
  106    HD3  ARG  17           2HD      ARG  17   0.060   2.647   7.272
  107    HE   ARG  17           HE       ARG  17  -2.611   2.851   5.941
  108   HH11  ARG  17          2HH1      ARG  17  -0.952   2.003   8.923
  109   HH12  ARG  17          1HH1      ARG  17  -2.440   2.054   9.831
  110   HH21  ARG  17          2HH2      ARG  17  -4.360   2.854   7.066
  111   HH22  ARG  17          1HH2      ARG  17  -4.366   2.545   8.798
  112    H    LYS  18           H        LYS  18   2.067   3.926   2.540
  113    HA   LYS  18           HA       LYS  18   1.699   3.140  -0.307
  114    HB2  LYS  18           1HB      LYS  18   3.535   5.368   0.649
  115    HB3  LYS  18           2HB      LYS  18   3.600   4.601  -0.951
  116    HG2  LYS  18           1HG      LYS  18   1.173   5.272  -1.255
  117    HG3  LYS  18           2HG      LYS  18   1.360   6.277   0.199
  118    HD2  LYS  18           1HD      LYS  18   3.288   7.437  -0.901
  119    HD3  LYS  18           2HD      LYS  18   3.022   6.437  -2.359
  120    HE2  LYS  18           1HE      LYS  18   0.721   7.277  -2.516
  121    HE3  LYS  18           2HE      LYS  18   0.981   8.277  -1.073
  122    HZ1  LYS  18           3HZ      LYS  18   1.276   9.581  -3.116
  123    HZ2  LYS  18           1HZ      LYS  18   2.457   8.585  -3.643
  124    HZ3  LYS  18           2HZ      LYS  18   2.691   9.504  -2.310
  125    H    PHE  19           H        PHE  19   3.323   2.069  -1.314
  126    HA   PHE  19           HA       PHE  19   5.275   0.631   0.451
  127    HB2  PHE  19           1HB      PHE  19   3.244  -0.658  -1.382
  128    HB3  PHE  19           2HB      PHE  19   4.390  -1.499  -0.369
  129    HD1  PHE  19           1HD      PHE  19   4.136  -1.567   2.115
  130    HD2  PHE  19           2HD      PHE  19   1.221   0.372  -0.393
  131    HE1  PHE  19           1HE      PHE  19   2.580  -1.418   4.043
  132    HE2  PHE  19           2HE      PHE  19  -0.326   0.558   1.552
  133    HZ   PHE  19           HZ       PHE  19   0.360  -0.333   3.776
  134    H    LYS  20           H        LYS  20   6.799  -0.713  -0.624
  135    HA   LYS  20           HA       LYS  20   7.974   0.593  -2.936
  136    HB2  LYS  20           1HB      LYS  20   8.812  -1.868  -1.334
  137    HB3  LYS  20           2HB      LYS  20   9.768  -1.131  -2.622
  138    HG2  LYS  20           1HG      LYS  20   9.852   1.007  -1.336
  139    HG3  LYS  20           2HG      LYS  20   8.916   0.251  -0.041
  140    HD2  LYS  20           1HD      LYS  20  11.216   0.252   0.610
  141    HD3  LYS  20           2HD      LYS  20  10.743  -1.421   0.281
  142    HE2  LYS  20           1HE      LYS  20  11.817  -1.285  -1.958
  143    HE3  LYS  20           2HE      LYS  20  12.233   0.409  -1.663
  144    HZ1  LYS  20           3HZ      LYS  20  13.634  -0.330   0.192
  145    HZ2  LYS  20           1HZ      LYS  20  14.106  -1.064  -1.186
  146    HZ3  LYS  20           2HZ      LYS  20  13.245  -1.895  -0.077
  147    H    ASN  21           H        ASN  21   6.261  -2.478  -2.492
  148    HA   ASN  21           HA       ASN  21   6.275  -2.853  -5.451
  149    HB2  ASN  21           1HB      ASN  21   6.374  -5.335  -5.049
  150    HB3  ASN  21           2HB      ASN  21   7.861  -4.489  -4.699
  151   HD21  ASN  21          1HD2      ASN  21   8.640  -4.441  -2.557
  152   HD22  ASN  21          2HD2      ASN  21   7.736  -5.157  -1.210
  153    H    GLU  22           H        GLU  22   4.541  -4.125  -6.247
  154    HA   GLU  22           HA       GLU  22   2.001  -3.207  -5.398
  155    HB2  GLU  22           1HB      GLU  22   2.754  -4.037  -7.711
  156    HB3  GLU  22           2HB      GLU  22   2.555  -5.674  -7.101
  157    HG2  GLU  22           1HG      GLU  22   0.163  -5.228  -6.655
  158    HG3  GLU  22           2HG      GLU  22   0.365  -3.547  -7.153
  159    H    LEU  23           H        LEU  23   3.700  -6.248  -4.806
  160    HA   LEU  23           HA       LEU  23   1.669  -7.743  -3.525
  161    HB2  LEU  23           1HB      LEU  23   3.646  -8.802  -4.282
  162    HB3  LEU  23           2HB      LEU  23   4.708  -7.726  -3.376
  163    HG   LEU  23           HG       LEU  23   3.876  -8.741  -1.235
  164   HD11  LEU  23          1HD1      LEU  23   2.601 -10.861  -1.317
  165   HD12  LEU  23          2HD1      LEU  23   2.372 -10.657  -3.067
  166   HD13  LEU  23          3HD1      LEU  23   1.640  -9.511  -1.921
  167   HD21  LEU  23          3HD2      LEU  23   5.022 -10.893  -1.499
  168   HD22  LEU  23          1HD2      LEU  23   5.896  -9.608  -2.346
  169   HD23  LEU  23          2HD2      LEU  23   4.905 -10.761  -3.268
  170    H    ASP  24           H        ASP  24   4.167  -5.638  -1.983
  171    HA   ASP  24           HA       ASP  24   3.277  -5.999   0.661
  172    HB2  ASP  24           1HB      ASP  24   4.957  -3.898  -0.683
  173    HB3  ASP  24           2HB      ASP  24   4.462  -3.697   0.992
  174    H    ARG  25           H        ARG  25   2.105  -3.761  -1.752
  175    HA   ARG  25           HA       ARG  25   0.323  -2.327   0.116
  176    HB2  ARG  25           1HB      ARG  25   1.366  -1.329  -1.953
  177    HB3  ARG  25           2HB      ARG  25   0.372  -2.332  -2.934
  178    HG2  ARG  25           1HG      ARG  25  -0.756  -0.342  -0.878
  179    HG3  ARG  25           2HG      ARG  25  -0.334   0.113  -2.529
  180    HD2  ARG  25           1HD      ARG  25  -2.506  -1.765  -1.612
  181    HD3  ARG  25           2HD      ARG  25  -2.683  -0.230  -2.421
  182    HE   ARG  25           HE       ARG  25  -1.442  -2.656  -3.628
  183   HH11  ARG  25          2HH1      ARG  25  -2.919   0.455  -4.293
  184   HH12  ARG  25          1HH1      ARG  25  -3.358  -0.014  -5.918
  185   HH21  ARG  25          2HH2      ARG  25  -2.277  -3.274  -5.531
  186   HH22  ARG  25          1HH2      ARG  25  -2.897  -2.079  -6.665
  187    H    ASP  26           H        ASP  26  -0.033  -4.885  -2.345
  188    HA   ASP  26           HA       ASP  26  -2.850  -5.116  -2.146
  189    HB2  ASP  26           1HB      ASP  26  -0.632  -6.949  -3.108
  190    HB3  ASP  26           2HB      ASP  26  -2.271  -7.543  -2.971
  191    H    ARG  27           H        ARG  27  -0.268  -6.868  -0.321
  192    HA   ARG  27           HA       ARG  27  -2.172  -8.369   1.274
  193    HB2  ARG  27           1HB      ARG  27  -0.361  -9.054   2.639
  194    HB3  ARG  27           2HB      ARG  27   0.093  -9.173   0.940
  195    HG2  ARG  27           1HG      ARG  27   1.435  -7.142   1.109
  196    HG3  ARG  27           2HG      ARG  27   0.883  -6.827   2.729
  197    HD2  ARG  27           1HD      ARG  27   1.945  -9.039   3.429
  198    HD3  ARG  27           2HD      ARG  27   2.568  -9.190   1.786
  199    HE   ARG  27           HE       ARG  27   4.105  -7.415   2.160
  200   HH11  ARG  27          2HH1      ARG  27   2.210  -7.853   5.102
  201   HH12  ARG  27          1HH1      ARG  27   3.325  -6.881   6.022
  202   HH21  ARG  27          2HH2      ARG  27   5.364  -6.263   3.296
  203   HH22  ARG  27          1HH2      ARG  27   5.128  -5.986   5.025
  204    H    HIS  28           H        HIS  28  -0.960  -5.097   1.612
  205    HA   HIS  28           HA       HIS  28  -2.053  -4.729   4.314
  206    HB2  HIS  28           1HB      HIS  28  -0.298  -3.265   3.720
  207    HB3  HIS  28           2HB      HIS  28  -0.972  -2.907   2.140
  208    HD1  HIS  28           1HD      HIS  28  -1.582  -2.021   5.828
  209    HD2  HIS  28           2HD      HIS  28  -2.884  -1.086   1.939
  210    HE1  HIS  28           1HE      HIS  28  -3.131  -0.032   6.080
  211    H    MET  29           H        MET  29  -3.377  -4.239   0.958
  212    HA   MET  29           HA       MET  29  -5.765  -3.006   1.797
  213    HB2  MET  29           1HB      MET  29  -5.470  -4.919  -0.549
  214    HB3  MET  29           2HB      MET  29  -6.750  -3.737  -0.294
  215    HG2  MET  29           1HG      MET  29  -4.458  -2.172  -0.081
  216    HG3  MET  29           2HG      MET  29  -4.008  -3.374  -1.282
  217    HE1  MET  29           3HE      MET  29  -7.352  -1.419  -0.408
  218    HE2  MET  29           1HE      MET  29  -6.014  -0.247  -0.380
  219    HE3  MET  29           2HE      MET  29  -7.268  -0.140  -1.632
  220    H    LEU  30           H        LEU  30  -4.879  -6.339   2.238
  221    HA   LEU  30           HA       LEU  30  -7.419  -7.538   2.688
  222    HB2  LEU  30           1HB      LEU  30  -4.820  -8.079   4.175
  223    HB3  LEU  30           2HB      LEU  30  -6.190  -9.166   4.030
  224    HG   LEU  30           HG       LEU  30  -4.367  -8.293   1.750
  225   HD11  LEU  30          1HD1      LEU  30  -4.659 -10.975   3.161
  226   HD12  LEU  30          2HD1      LEU  30  -3.308  -9.838   3.361
  227   HD13  LEU  30          3HD1      LEU  30  -3.580 -10.615   1.793
  228   HD21  LEU  30          3HD2      LEU  30  -6.606  -8.748   0.872
  229   HD22  LEU  30          1HD2      LEU  30  -6.650 -10.303   1.740
  230   HD23  LEU  30          2HD2      LEU  30  -5.482 -10.035   0.422
  231    H    VAL  31           H        VAL  31  -5.557  -5.319   4.784
  232    HA   VAL  31           HA       VAL  31  -7.006  -5.947   7.201
  233    HB   VAL  31           HB       VAL  31  -5.960  -4.188   8.246
  234   HG11  VAL  31          1HG1      VAL  31  -4.410  -5.955   7.560
  235   HG12  VAL  31          2HG1      VAL  31  -3.934  -4.982   6.153
  236   HG13  VAL  31          3HG1      VAL  31  -3.631  -4.380   7.787
  237   HG21  VAL  31          3HG2      VAL  31  -4.693  -2.348   7.081
  238   HG22  VAL  31          1HG2      VAL  31  -5.588  -2.778   5.607
  239   HG23  VAL  31          2HG2      VAL  31  -6.453  -2.242   7.049
  240    H    HIS  32           H        HIS  32  -7.797  -4.008   4.476
  241    HA   HIS  32           HA       HIS  32 -10.048  -2.617   5.792
  242    HB2  HIS  32           1HB      HIS  32  -9.125  -2.540   2.903
  243    HB3  HIS  32           2HB      HIS  32 -10.260  -1.442   3.684
  244    HD1  HIS  32           1HD      HIS  32  -8.787  -0.422   6.173
  245    HD2  HIS  32           2HD      HIS  32  -6.953  -1.239   2.484
  246    HE1  HIS  32           1HE      HIS  32  -6.642   0.930   6.169
  247    H    GLY  33           H        GLY  33  -9.621  -5.653   4.499
  248    HA2  GLY  33           1HA      GLY  33 -12.008  -6.090   2.970
  249    HA3  GLY  33           2HA      GLY  33 -10.956  -7.319   3.671
  250    H    ASP  34           H        ASP  34 -12.648  -4.902   5.621
  251    HA   ASP  34           HA       ASP  34 -13.846  -6.965   7.303
  252    HB2  ASP  34           1HB      ASP  34 -12.632  -4.932   8.114
  253    HB3  ASP  34           2HB      ASP  34 -13.948  -3.940   7.487
  254    H    LYS  35           H        LYS  35 -14.927  -7.013   4.754
  255    HA   LYS  35           HA       LYS  35 -17.495  -5.590   4.598
  256    HB2  LYS  35           1HB      LYS  35 -16.215  -7.672   2.776
  257    HB3  LYS  35           2HB      LYS  35 -17.668  -6.737   2.405
  258    HG2  LYS  35           1HG      LYS  35 -16.361  -4.629   2.525
  259    HG3  LYS  35           2HG      LYS  35 -14.886  -5.561   2.855
  260    HD2  LYS  35           1HD      LYS  35 -15.142  -6.744   0.688
  261    HD3  LYS  35           2HD      LYS  35 -16.605  -5.793   0.347
  262    HE2  LYS  35           1HE      LYS  35 -15.269  -3.701   0.473
  263    HE3  LYS  35           2HE      LYS  35 -13.814  -4.645   0.816
  264    HZ1  LYS  35           3HZ      LYS  35 -14.066  -5.701  -1.371
  265    HZ2  LYS  35           1HZ      LYS  35 -13.966  -4.082  -1.542
  266    HZ3  LYS  35           2HZ      LYS  35 -15.410  -4.826  -1.686
  267    H    TRP  36           H        TRP  36 -16.561  -8.543   5.958
  268    HA   TRP  36           HA       TRP  36 -19.036 -10.042   5.456
  269    HB2  TRP  36           1HB      TRP  36 -17.868 -11.799   6.775
  270    HB3  TRP  36           2HB      TRP  36 -17.032 -11.279   5.326
  271    HD1  TRP  36           1HD      TRP  36 -14.721 -10.043   5.579
  272    HE1  TRP  36           1HE      TRP  36 -13.011  -9.868   7.481
  273    HE3  TRP  36           3HE      TRP  36 -17.656 -11.670   9.457
  274    HZ2  TRP  36           2HZ      TRP  36 -12.914 -10.397  10.318
  275    HZ3  TRP  36           3HZ      TRP  36 -16.715 -11.846  11.751
  276    HH2  TRP  36           2HH      TRP  36 -14.351 -11.214  12.193
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  18.039  23.353  -5.168
    2    H2   GLY   1           2H       GLY   1  18.831  22.089  -5.840
    3    H3   GLY   1           3H       GLY   1  19.120  22.497  -4.280
    4    HA2  GLY   1           1HA      GLY   1  17.739  20.531  -4.371
    5    HA3  GLY   1           2HA      GLY   1  16.889  21.899  -3.629
    6    H    SER   2           H        SER   2  15.415  19.842  -4.598
    7    HA   SER   2           HA       SER   2  13.861  21.088  -6.781
    8    HB2  SER   2           1HB      SER   2  13.765  19.070  -8.112
    9    HB3  SER   2           2HB      SER   2  15.454  19.550  -7.911
   10    HG   SER   2           HG       SER   2  15.217  17.319  -7.556
   11    H    SER   3           H        SER   3  11.773  19.795  -7.156
   12    HA   SER   3           HA       SER   3  10.388  19.441  -4.638
   13    HB2  SER   3           1HB      SER   3   8.447  18.951  -6.132
   14    HB3  SER   3           2HB      SER   3   9.260  20.488  -6.467
   15    HG   SER   3           HG       SER   3   8.816  19.285  -8.387
   16    H    GLY   4           H        GLY   4  12.119  17.220  -6.640
   17    HA2  GLY   4           1HA      GLY   4  12.572  14.976  -6.377
   18    HA3  GLY   4           2HA      GLY   4  11.719  15.033  -4.839
   19    H    SER   5           H        SER   5  11.158  12.836  -5.468
   20    HA   SER   5           HA       SER   5   8.479  12.683  -6.639
   21    HB2  SER   5           1HB      SER   5  10.092  12.328  -8.570
   22    HB3  SER   5           2HB      SER   5  10.666  10.872  -7.735
   23    HG   SER   5           HG       SER   5   8.975  10.468  -9.281
   24    H    SER   6           H        SER   6   7.591  10.393  -6.324
   25    HA   SER   6           HA       SER   6   7.951   9.651  -3.543
   26    HB2  SER   6           1HB      SER   6   5.770   9.520  -4.760
   27    HB3  SER   6           2HB      SER   6   6.414   8.151  -5.690
   28    HG   SER   6           HG       SER   6   5.635   7.066  -4.043
   29    H    GLY   7           H        GLY   7   9.153   8.106  -2.636
   30    HA2  GLY   7           1HA      GLY   7  10.845   6.273  -4.230
   31    HA3  GLY   7           2HA      GLY   7  10.865   6.496  -2.477
   32    H    LEU   8           H        LEU   8   7.670   6.117  -3.343
   33    HA   LEU   8           HA       LEU   8   7.650   3.133  -3.033
   34    HB2  LEU   8           1HB      LEU   8   5.937   5.226  -1.622
   35    HB3  LEU   8           2HB      LEU   8   5.688   3.485  -1.517
   36    HG   LEU   8           HG       LEU   8   8.243   4.870  -0.581
   37   HD11  LEU   8          1HD1      LEU   8   6.311   5.682   0.700
   38   HD12  LEU   8          2HD1      LEU   8   7.366   4.655   1.683
   39   HD13  LEU   8          3HD1      LEU   8   5.836   4.008   1.056
   40   HD21  LEU   8          3HD2      LEU   8   7.116   2.120   0.093
   41   HD22  LEU   8          1HD2      LEU   8   8.654   2.808   0.642
   42   HD23  LEU   8          2HD2      LEU   8   8.430   2.412  -1.068
   43    H    LEU   9           H        LEU   9   6.708   2.296  -4.729
   44    HA   LEU   9           HA       LEU   9   5.443   3.962  -6.731
   45    HB2  LEU   9           1HB      LEU   9   6.176   1.026  -6.539
   46    HB3  LEU   9           2HB      LEU   9   5.451   1.726  -7.976
   47    HG   LEU   9           HG       LEU   9   8.124   2.576  -6.762
   48   HD11  LEU   9          1HD1      LEU   9   8.177   0.295  -7.688
   49   HD12  LEU   9          2HD1      LEU   9   9.117   1.413  -8.688
   50   HD13  LEU   9          3HD1      LEU   9   7.502   0.890  -9.222
   51   HD21  LEU   9          3HD2      LEU   9   7.137   4.430  -8.034
   52   HD22  LEU   9          1HD2      LEU   9   6.792   3.341  -9.400
   53   HD23  LEU   9          2HD2      LEU   9   8.469   3.723  -8.948
   54    H    TYR  10           H        TYR  10   4.083   1.759  -4.378
   55    HA   TYR  10           HA       TYR  10   1.453   1.757  -5.825
   56    HB2  TYR  10           1HB      TYR  10   2.558  -0.352  -3.945
   57    HB3  TYR  10           2HB      TYR  10   1.053  -0.419  -4.834
   58    HD1  TYR  10           1HD      TYR  10   4.758  -0.508  -5.171
   59    HD2  TYR  10           2HD      TYR  10   0.988  -1.113  -7.168
   60    HE1  TYR  10           1HE      TYR  10   5.948  -1.435  -7.162
   61    HE2  TYR  10           2HE      TYR  10   2.156  -2.063  -9.116
   62    HH   TYR  10           HH       TYR  10   4.194  -2.557 -10.076
   63    H    ASP  11           H        ASP  11  -0.479   2.092  -4.635
   64    HA   ASP  11           HA       ASP  11  -0.106   3.195  -1.884
   65    HB2  ASP  11           1HB      ASP  11  -1.268   5.165  -2.451
   66    HB3  ASP  11           2HB      ASP  11   0.021   4.955  -3.625
   67    H    CYS  12           H        CYS  12  -1.778   3.303  -0.495
   68    HA   CYS  12           HA       CYS  12  -4.126   1.542  -0.920
   69    HB2  CYS  12           1HB      CYS  12  -2.834   1.336   1.138
   70    HB3  CYS  12           2HB      CYS  12  -3.043   3.068   1.475
   71    H    HIS  13           H        HIS  13  -6.056   2.368  -1.551
   72    HA   HIS  13           HA       HIS  13  -6.433   5.292  -1.672
   73    HB2  HIS  13           1HB      HIS  13  -8.311   4.885  -3.061
   74    HB3  HIS  13           2HB      HIS  13  -6.949   3.940  -3.628
   75    HD1  HIS  13           1HD      HIS  13  -7.520   1.453  -4.141
   76    HD2  HIS  13           2HD      HIS  13 -10.270   3.403  -1.628
   77    HE1  HIS  13           1HE      HIS  13  -9.478  -0.155  -3.835
   78    H    ILE  14           H        ILE  14  -6.873   3.131   0.769
   79    HA   ILE  14           HA       ILE  14  -9.468   4.252   1.725
   80    HB   ILE  14           HB       ILE  14  -7.921   1.860   2.782
   81   HG12  ILE  14          1HG1      ILE  14 -10.051   0.700   1.720
   82   HG13  ILE  14          2HG1      ILE  14 -10.022   2.067   0.611
   83   HG21  ILE  14          1HG2      ILE  14 -10.067   1.304   3.864
   84   HG22  ILE  14          2HG2      ILE  14  -9.446   2.846   4.438
   85   HG23  ILE  14          3HG2      ILE  14 -10.774   2.813   3.251
   86   HD11  ILE  14          3HD1      ILE  14  -7.741   1.371  -0.113
   87   HD12  ILE  14          1HD1      ILE  14  -7.758   0.087   1.115
   88   HD13  ILE  14          2HD1      ILE  14  -8.895   0.037  -0.240
   89    H    CYS  15           H        CYS  15  -6.113   3.763   2.765
   90    HA   CYS  15           HA       CYS  15  -6.481   5.857   4.858
   91    HB2  CYS  15           1HB      CYS  15  -5.192   4.696   6.417
   92    HB3  CYS  15           2HB      CYS  15  -6.515   3.665   5.877
   93    H    GLU  16           H        GLU  16  -5.037   5.445   2.065
   94    HA   GLU  16           HA       GLU  16  -3.549   6.656   0.919
   95    HB2  GLU  16           1HB      GLU  16  -4.794   8.344   2.610
   96    HB3  GLU  16           2HB      GLU  16  -3.125   8.654   3.084
   97    HG2  GLU  16           1HG      GLU  16  -2.583   9.074   0.648
   98    HG3  GLU  16           2HG      GLU  16  -4.277   8.767   0.258
   99    H    ARG  17           H        ARG  17  -2.443   4.684   3.027
  100    HA   ARG  17           HA       ARG  17   0.390   5.415   3.235
  101    HB2  ARG  17           1HB      ARG  17  -1.094   2.765   3.542
  102    HB3  ARG  17           2HB      ARG  17   0.647   2.943   3.806
  103    HG2  ARG  17           1HG      ARG  17   0.284   4.560   5.605
  104    HG3  ARG  17           2HG      ARG  17  -1.454   4.542   5.293
  105    HD2  ARG  17           1HD      ARG  17  -1.407   2.040   5.770
  106    HD3  ARG  17           2HD      ARG  17   0.244   2.242   6.351
  107    HE   ARG  17           HE       ARG  17  -2.275   3.207   7.584
  108   HH11  ARG  17          2HH1      ARG  17   1.224   3.322   7.828
  109   HH12  ARG  17          1HH1      ARG  17   1.177   3.893   9.474
  110   HH21  ARG  17          2HH2      ARG  17  -2.253   3.912   9.684
  111   HH22  ARG  17          1HH2      ARG  17  -0.743   4.217  10.492
  112    H    LYS  18           H        LYS  18   2.053   4.072   2.348
  113    HA   LYS  18           HA       LYS  18   1.619   3.249  -0.482
  114    HB2  LYS  18           1HB      LYS  18   3.703   5.287   0.374
  115    HB3  LYS  18           2HB      LYS  18   3.558   4.534  -1.223
  116    HG2  LYS  18           1HG      LYS  18   1.282   5.511  -1.473
  117    HG3  LYS  18           2HG      LYS  18   1.534   6.420   0.026
  118    HD2  LYS  18           1HD      LYS  18   3.312   6.591  -2.450
  119    HD3  LYS  18           2HD      LYS  18   2.011   7.726  -2.054
  120    HE2  LYS  18           1HE      LYS  18   3.158   8.347   0.045
  121    HE3  LYS  18           2HE      LYS  18   4.455   7.197  -0.300
  122    HZ1  LYS  18           3HZ      LYS  18   5.048   9.464  -0.963
  123    HZ2  LYS  18           1HZ      LYS  18   3.796   9.535  -2.005
  124    HZ3  LYS  18           2HZ      LYS  18   5.027   8.485  -2.271
  125    H    PHE  19           H        PHE  19   3.124   1.919  -1.412
  126    HA   PHE  19           HA       PHE  19   5.048   0.538   0.406
  127    HB2  PHE  19           1HB      PHE  19   3.111  -0.712  -1.548
  128    HB3  PHE  19           2HB      PHE  19   4.139  -1.560  -0.416
  129    HD1  PHE  19           1HD      PHE  19   3.672  -1.507   2.028
  130    HD2  PHE  19           2HD      PHE  19   1.039   0.400  -0.803
  131    HE1  PHE  19           1HE      PHE  19   1.983  -1.172   3.825
  132    HE2  PHE  19           2HE      PHE  19  -0.632   0.769   1.002
  133    HZ   PHE  19           HZ       PHE  19  -0.145  -0.008   3.317
  134    H    LYS  20           H        LYS  20   6.696  -0.637  -0.573
  135    HA   LYS  20           HA       LYS  20   7.845   0.674  -2.868
  136    HB2  LYS  20           1HB      LYS  20   8.993  -0.293  -0.753
  137    HB3  LYS  20           2HB      LYS  20   8.804  -1.868  -1.491
  138    HG2  LYS  20           1HG      LYS  20  10.988  -1.218  -2.051
  139    HG3  LYS  20           2HG      LYS  20  10.047  -0.978  -3.519
  140    HD2  LYS  20           1HD      LYS  20  11.550   0.869  -3.320
  141    HD3  LYS  20           2HD      LYS  20   9.921   1.450  -3.047
  142    HE2  LYS  20           1HE      LYS  20  11.313   2.539  -1.456
  143    HE3  LYS  20           2HE      LYS  20  10.360   1.362  -0.552
  144    HZ1  LYS  20           3HZ      LYS  20  13.175   0.968  -1.432
  145    HZ2  LYS  20           1HZ      LYS  20  12.309  -0.118  -0.569
  146    HZ3  LYS  20           2HZ      LYS  20  12.710   1.319   0.089
  147    H    ASN  21           H        ASN  21   6.361  -2.486  -2.386
  148    HA   ASN  21           HA       ASN  21   6.373  -2.938  -5.345
  149    HB2  ASN  21           1HB      ASN  21   6.553  -5.389  -4.883
  150    HB3  ASN  21           2HB      ASN  21   7.999  -4.502  -4.477
  151   HD21  ASN  21          1HD2      ASN  21   8.653  -4.375  -2.280
  152   HD22  ASN  21          2HD2      ASN  21   7.708  -5.130  -0.979
  153    H    GLU  22           H        GLU  22   4.681  -4.284  -6.132
  154    HA   GLU  22           HA       GLU  22   2.124  -3.407  -5.254
  155    HB2  GLU  22           1HB      GLU  22   2.843  -4.114  -7.599
  156    HB3  GLU  22           2HB      GLU  22   2.817  -5.765  -7.055
  157    HG2  GLU  22           1HG      GLU  22   0.843  -5.208  -8.342
  158    HG3  GLU  22           2HG      GLU  22   0.426  -5.684  -6.706
  159    H    LEU  23           H        LEU  23   3.929  -6.360  -4.603
  160    HA   LEU  23           HA       LEU  23   1.878  -7.926  -3.380
  161    HB2  LEU  23           1HB      LEU  23   3.882  -8.966  -4.074
  162    HB3  LEU  23           2HB      LEU  23   4.913  -7.841  -3.198
  163    HG   LEU  23           HG       LEU  23   4.075  -8.805  -1.028
  164   HD11  LEU  23          1HD1      LEU  23   1.876  -9.673  -1.740
  165   HD12  LEU  23          2HD1      LEU  23   2.869 -10.965  -1.064
  166   HD13  LEU  23          3HD1      LEU  23   2.673 -10.834  -2.827
  167   HD21  LEU  23          3HD2      LEU  23   6.141  -9.636  -2.076
  168   HD22  LEU  23          1HD2      LEU  23   5.205 -10.847  -2.983
  169   HD23  LEU  23          2HD2      LEU  23   5.293 -10.926  -1.208
  170    H    ASP  24           H        ASP  24   4.247  -5.658  -1.880
  171    HA   ASP  24           HA       ASP  24   3.309  -5.932   0.763
  172    HB2  ASP  24           1HB      ASP  24   5.038  -3.943  -0.671
  173    HB3  ASP  24           2HB      ASP  24   4.357  -3.472   0.879
  174    H    ARG  25           H        ARG  25   2.162  -3.814  -1.789
  175    HA   ARG  25           HA       ARG  25   0.246  -2.399  -0.084
  176    HB2  ARG  25           1HB      ARG  25   1.232  -1.472  -2.207
  177    HB3  ARG  25           2HB      ARG  25   0.305  -2.610  -3.125
  178    HG2  ARG  25           1HG      ARG  25  -1.194  -0.883  -1.150
  179    HG3  ARG  25           2HG      ARG  25  -0.488  -0.075  -2.542
  180    HD2  ARG  25           1HD      ARG  25  -2.407  -2.413  -2.737
  181    HD3  ARG  25           2HD      ARG  25  -2.856  -0.712  -2.845
  182    HE   ARG  25           HE       ARG  25  -1.011  -2.119  -4.759
  183   HH11  ARG  25          2HH1      ARG  25  -3.196   0.606  -4.356
  184   HH12  ARG  25          1HH1      ARG  25  -3.507   0.688  -6.070
  185   HH21  ARG  25          2HH2      ARG  25  -1.353  -1.882  -6.845
  186   HH22  ARG  25          1HH2      ARG  25  -2.414  -0.625  -7.463
  187    H    ASP  26           H        ASP  26   0.025  -5.148  -2.367
  188    HA   ASP  26           HA       ASP  26  -2.774  -5.508  -2.120
  189    HB2  ASP  26           1HB      ASP  26  -0.476  -7.356  -2.867
  190    HB3  ASP  26           2HB      ASP  26  -2.085  -8.013  -2.643
  191    H    ARG  27           H        ARG  27  -0.116  -7.016  -0.171
  192    HA   ARG  27           HA       ARG  27  -1.999  -8.409   1.528
  193    HB2  ARG  27           1HB      ARG  27  -0.232  -8.983   2.958
  194    HB3  ARG  27           2HB      ARG  27   0.220  -9.264   1.279
  195    HG2  ARG  27           1HG      ARG  27   1.726  -7.397   1.282
  196    HG3  ARG  27           2HG      ARG  27   1.108  -6.774   2.796
  197    HD2  ARG  27           1HD      ARG  27   1.963  -8.749   3.995
  198    HD3  ARG  27           2HD      ARG  27   2.389  -9.532   2.463
  199    HE   ARG  27           HE       ARG  27   3.857  -7.077   2.659
  200   HH11  ARG  27          1HH1      ARG  27   3.837 -10.255   4.172
  201   HH12  ARG  27          2HH1      ARG  27   5.549 -10.184   4.492
  202   HH21  ARG  27          2HH2      ARG  27   5.931  -7.075   3.044
  203   HH22  ARG  27          1HH2      ARG  27   6.738  -8.401   3.883
  204    H    HIS  28           H        HIS  28  -0.867  -5.106   1.646
  205    HA   HIS  28           HA       HIS  28  -1.996  -4.628   4.310
  206    HB2  HIS  28           1HB      HIS  28  -0.266  -3.158   3.551
  207    HB3  HIS  28           2HB      HIS  28  -1.097  -2.821   2.036
  208    HD1  HIS  28           1HD      HIS  28  -1.404  -1.984   5.779
  209    HD2  HIS  28           2HD      HIS  28  -3.020  -1.014   2.019
  210    HE1  HIS  28           1HE      HIS  28  -2.889   0.034   6.168
  211    H    MET  29           H        MET  29  -3.326  -4.358   0.916
  212    HA   MET  29           HA       MET  29  -5.730  -3.102   1.740
  213    HB2  MET  29           1HB      MET  29  -5.485  -5.060  -0.555
  214    HB3  MET  29           2HB      MET  29  -6.725  -3.841  -0.309
  215    HG2  MET  29           1HG      MET  29  -4.604  -2.196  -0.278
  216    HG3  MET  29           2HG      MET  29  -3.897  -3.528  -1.188
  217    HE1  MET  29           3HE      MET  29  -6.222  -0.495  -1.174
  218    HE2  MET  29           1HE      MET  29  -7.288  -0.756  -2.570
  219    HE3  MET  29           2HE      MET  29  -7.463  -1.768  -1.124
  220    H    LEU  30           H        LEU  30  -4.787  -6.406   2.251
  221    HA   LEU  30           HA       LEU  30  -7.287  -7.663   2.739
  222    HB2  LEU  30           1HB      LEU  30  -4.683  -8.043   4.268
  223    HB3  LEU  30           2HB      LEU  30  -6.018  -9.181   4.183
  224    HG   LEU  30           HG       LEU  30  -4.224  -8.378   1.859
  225   HD11  LEU  30          1HD1      LEU  30  -3.109  -9.784   3.554
  226   HD12  LEU  30          2HD1      LEU  30  -3.354 -10.665   2.036
  227   HD13  LEU  30          3HD1      LEU  30  -4.418 -10.980   3.427
  228   HD21  LEU  30          3HD2      LEU  30  -5.287 -10.242   0.642
  229   HD22  LEU  30          1HD2      LEU  30  -6.448  -8.964   1.016
  230   HD23  LEU  30          2HD2      LEU  30  -6.439 -10.462   1.980
  231    H    VAL  31           H        VAL  31  -5.533  -5.286   4.746
  232    HA   VAL  31           HA       VAL  31  -7.042  -5.827   7.157
  233    HB   VAL  31           HB       VAL  31  -6.014  -4.038   8.147
  234   HG11  VAL  31          1HG1      VAL  31  -3.930  -4.897   6.143
  235   HG12  VAL  31          2HG1      VAL  31  -3.676  -4.233   7.763
  236   HG13  VAL  31          3HG1      VAL  31  -4.440  -5.821   7.572
  237   HG21  VAL  31          3HG2      VAL  31  -4.719  -2.242   6.945
  238   HG22  VAL  31          1HG2      VAL  31  -5.586  -2.727   5.474
  239   HG23  VAL  31          2HG2      VAL  31  -6.478  -2.142   6.880
  240    H    HIS  32           H        HIS  32  -7.767  -4.092   4.311
  241    HA   HIS  32           HA       HIS  32 -10.080  -2.643   5.494
  242    HB2  HIS  32           1HB      HIS  32  -8.843  -2.438   2.726
  243    HB3  HIS  32           2HB      HIS  32 -10.073  -1.381   3.408
  244    HD1  HIS  32           1HD      HIS  32  -8.973  -0.327   6.014
  245    HD2  HIS  32           2HD      HIS  32  -6.555  -1.253   2.699
  246    HE1  HIS  32           1HE      HIS  32  -6.835   1.002   6.330
  247    H    GLY  33           H        GLY  33  -9.552  -5.638   4.032
  248    HA2  GLY  33           1HA      GLY  33 -11.687  -5.774   2.118
  249    HA3  GLY  33           2HA      GLY  33 -10.820  -7.132   2.827
  250    H    ASP  34           H        ASP  34 -13.758  -5.402   2.766
  251    HA   ASP  34           HA       ASP  34 -14.833  -6.413   5.294
  252    HB2  ASP  34           1HB      ASP  34 -15.366  -4.181   4.380
  253    HB3  ASP  34           2HB      ASP  34 -16.134  -4.931   2.981
  254    H    LYS  35           H        LYS  35 -15.112  -7.296   1.905
  255    HA   LYS  35           HA       LYS  35 -16.821  -9.681   2.571
  256    HB2  LYS  35           1HB      LYS  35 -16.994  -7.836   0.151
  257    HB3  LYS  35           2HB      LYS  35 -17.941  -9.310   0.383
  258    HG2  LYS  35           1HG      LYS  35 -18.970  -8.355   2.424
  259    HG3  LYS  35           2HG      LYS  35 -18.036  -6.863   2.188
  260    HD2  LYS  35           1HD      LYS  35 -19.147  -6.463   0.031
  261    HD3  LYS  35           2HD      LYS  35 -20.043  -7.978   0.201
  262    HE2  LYS  35           1HE      LYS  35 -21.520  -6.197   0.830
  263    HE3  LYS  35           2HE      LYS  35 -21.111  -7.113   2.282
  264    HZ1  LYS  35           3HZ      LYS  35 -21.002  -4.708   2.651
  265    HZ2  LYS  35           1HZ      LYS  35 -19.857  -4.531   1.504
  266    HZ3  LYS  35           2HZ      LYS  35 -19.525  -5.353   2.883
  267    H    TRP  36           H        TRP  36 -13.823  -8.844   1.394
  268    HA   TRP  36           HA       TRP  36 -13.533 -11.266  -0.319
  269    HB2  TRP  36           1HB      TRP  36 -12.438  -8.486  -0.867
  270    HB3  TRP  36           2HB      TRP  36 -12.223  -9.916  -1.860
  271    HD1  TRP  36           1HD      TRP  36 -14.315  -6.940  -1.568
  272    HE1  TRP  36           1HE      TRP  36 -16.422  -7.066  -3.033
  273    HE3  TRP  36           3HE      TRP  36 -14.212 -11.937  -2.712
  274    HZ2  TRP  36           2HZ      TRP  36 -17.888  -9.078  -4.488
  275    HZ3  TRP  36           3HZ      TRP  36 -15.984 -12.929  -4.144
  276    HH2  TRP  36           2HH      TRP  36 -17.823 -11.516  -5.036
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  12.668  11.210  11.778
    2    H2   GLY   1           2H       GLY   1  13.583   9.930  12.228
    3    H3   GLY   1           3H       GLY   1  11.951   9.849  12.345
    4    HA2  GLY   1           1HA      GLY   1  12.701   8.581  10.444
    5    HA3  GLY   1           2HA      GLY   1  11.693   9.958   9.963
    6    H    SER   2           H        SER   2  13.622   8.596   8.315
    7    HA   SER   2           HA       SER   2  16.089  10.036   8.091
    8    HB2  SER   2           1HB      SER   2  14.605   8.411   5.993
    9    HB3  SER   2           2HB      SER   2  16.313   8.886   5.943
   10    HG   SER   2           HG       SER   2  16.030   6.749   6.747
   11    H    SER   3           H        SER   3  16.819  11.479   6.476
   12    HA   SER   3           HA       SER   3  15.084  13.635   5.761
   13    HB2  SER   3           1HB      SER   3  17.831  12.934   4.662
   14    HB3  SER   3           2HB      SER   3  17.017  14.504   4.533
   15    HG   SER   3           HG       SER   3  18.508  14.439   6.285
   16    H    GLY   4           H        GLY   4  14.436  14.406   3.699
   17    HA2  GLY   4           1HA      GLY   4  13.623  14.270   1.529
   18    HA3  GLY   4           2HA      GLY   4  14.673  12.885   1.251
   19    H    SER   5           H        SER   5  13.168  11.658   0.159
   20    HA   SER   5           HA       SER   5  10.879  10.528   1.723
   21    HB2  SER   5           1HB      SER   5  10.826  11.346  -1.205
   22    HB3  SER   5           2HB      SER   5   9.546  10.468  -0.348
   23    HG   SER   5           HG       SER   5   9.157  12.742  -0.455
   24    H    SER   6           H        SER   6  10.512   8.373   1.502
   25    HA   SER   6           HA       SER   6  12.595   6.671   0.443
   26    HB2  SER   6           1HB      SER   6   9.821   5.976   1.478
   27    HB3  SER   6           2HB      SER   6  11.147   4.831   1.197
   28    HG   SER   6           HG       SER   6  11.023   5.502   3.398
   29    H    GLY   7           H        GLY   7  12.435   5.057  -1.187
   30    HA2  GLY   7           1HA      GLY   7  10.942   5.760  -3.592
   31    HA3  GLY   7           2HA      GLY   7  11.976   4.346  -3.358
   32    H    LEU   8           H        LEU   8   8.794   5.633  -3.244
   33    HA   LEU   8           HA       LEU   8   7.584   2.950  -2.722
   34    HB2  LEU   8           1HB      LEU   8   6.578   5.671  -1.812
   35    HB3  LEU   8           2HB      LEU   8   5.762   4.127  -1.556
   36    HG   LEU   8           HG       LEU   8   8.516   4.785  -0.405
   37   HD11  LEU   8          1HD1      LEU   8   5.808   4.908   0.953
   38   HD12  LEU   8          2HD1      LEU   8   6.817   6.303   0.492
   39   HD13  LEU   8          3HD1      LEU   8   7.393   5.160   1.713
   40   HD21  LEU   8          3HD2      LEU   8   8.002   2.350  -0.608
   41   HD22  LEU   8          1HD2      LEU   8   6.520   2.615   0.337
   42   HD23  LEU   8          2HD2      LEU   8   8.109   2.890   1.072
   43    H    LEU   9           H        LEU   9   6.225   2.276  -4.158
   44    HA   LEU   9           HA       LEU   9   5.622   3.995  -6.544
   45    HB2  LEU   9           1HB      LEU   9   6.268   1.046  -6.221
   46    HB3  LEU   9           2HB      LEU   9   5.732   1.763  -7.732
   47    HG   LEU   9           HG       LEU   9   8.298   2.479  -6.234
   48   HD11  LEU   9          1HD1      LEU   9   9.424   1.316  -8.083
   49   HD12  LEU   9          2HD1      LEU   9   7.851   0.896  -8.798
   50   HD13  LEU   9          3HD1      LEU   9   8.329   0.224  -7.224
   51   HD21  LEU   9          3HD2      LEU   9   8.920   3.661  -8.338
   52   HD22  LEU   9          1HD2      LEU   9   7.542   4.414  -7.536
   53   HD23  LEU   9          2HD2      LEU   9   7.278   3.385  -8.963
   54    H    TYR  10           H        TYR  10   4.115   1.849  -4.233
   55    HA   TYR  10           HA       TYR  10   1.551   1.904  -5.790
   56    HB2  TYR  10           1HB      TYR  10   2.568  -0.245  -3.899
   57    HB3  TYR  10           2HB      TYR  10   1.053  -0.265  -4.760
   58    HD1  TYR  10           1HD      TYR  10   4.734  -0.500  -5.141
   59    HD2  TYR  10           2HD      TYR  10   0.929  -0.742  -7.158
   60    HE1  TYR  10           1HE      TYR  10   5.864  -1.422  -7.171
   61    HE2  TYR  10           2HE      TYR  10   2.047  -1.695  -9.163
   62    HH   TYR  10           HH       TYR  10   4.040  -2.306 -10.124
   63    H    ASP  11           H        ASP  11  -0.348   2.399  -4.748
   64    HA   ASP  11           HA       ASP  11  -0.107   3.385  -1.945
   65    HB2  ASP  11           1HB      ASP  11  -1.324   5.323  -2.508
   66    HB3  ASP  11           2HB      ASP  11   0.020   5.182  -3.630
   67    H    CYS  12           H        CYS  12  -1.746   3.289  -0.585
   68    HA   CYS  12           HA       CYS  12  -4.004   1.461  -1.057
   69    HB2  CYS  12           1HB      CYS  12  -2.773   1.322   1.021
   70    HB3  CYS  12           2HB      CYS  12  -3.007   3.057   1.328
   71    H    HIS  13           H        HIS  13  -5.989   2.103  -1.579
   72    HA   HIS  13           HA       HIS  13  -6.612   4.991  -1.806
   73    HB2  HIS  13           1HB      HIS  13  -8.419   4.351  -3.247
   74    HB3  HIS  13           2HB      HIS  13  -6.902   3.660  -3.798
   75    HD1  HIS  13           1HD      HIS  13 -10.235   2.578  -2.193
   76    HD2  HIS  13           2HD      HIS  13  -6.806   1.019  -4.067
   77    HE1  HIS  13           1HE      HIS  13 -10.739   0.123  -2.676
   78    H    ILE  14           H        ILE  14  -6.830   2.941   0.684
   79    HA   ILE  14           HA       ILE  14  -9.525   3.864   1.611
   80    HB   ILE  14           HB       ILE  14  -7.793   1.769   2.876
   81   HG12  ILE  14          1HG1      ILE  14  -8.292   0.979   0.617
   82   HG13  ILE  14          2HG1      ILE  14  -9.090   0.041   1.855
   83   HG21  ILE  14          1HG2      ILE  14  -9.990   1.055   3.880
   84   HG22  ILE  14          2HG2      ILE  14  -9.427   2.640   4.413
   85   HG23  ILE  14          3HG2      ILE  14 -10.719   2.523   3.203
   86   HD11  ILE  14          3HD1      ILE  14 -10.524   0.359  -0.058
   87   HD12  ILE  14          1HD1      ILE  14 -11.225   1.107   1.383
   88   HD13  ILE  14          2HD1      ILE  14 -10.456   2.129   0.143
   89    H    CYS  15           H        CYS  15  -6.087   3.688   2.584
   90    HA   CYS  15           HA       CYS  15  -6.550   5.814   4.611
   91    HB2  CYS  15           1HB      CYS  15  -5.240   4.738   6.204
   92    HB3  CYS  15           2HB      CYS  15  -6.543   3.688   5.689
   93    H    GLU  16           H        GLU  16  -5.116   5.480   1.843
   94    HA   GLU  16           HA       GLU  16  -3.536   6.685   0.733
   95    HB2  GLU  16           1HB      GLU  16  -4.085   8.360   3.180
   96    HB3  GLU  16           2HB      GLU  16  -2.978   8.930   1.915
   97    HG2  GLU  16           1HG      GLU  16  -4.778   8.648   0.226
   98    HG3  GLU  16           2HG      GLU  16  -5.884   8.111   1.492
   99    H    ARG  17           H        ARG  17  -2.522   4.706   2.936
  100    HA   ARG  17           HA       ARG  17   0.297   5.422   3.230
  101    HB2  ARG  17           1HB      ARG  17  -1.271   2.831   3.557
  102    HB3  ARG  17           2HB      ARG  17   0.485   2.902   3.752
  103    HG2  ARG  17           1HG      ARG  17   0.296   4.574   5.529
  104    HG3  ARG  17           2HG      ARG  17  -1.466   4.614   5.331
  105    HD2  ARG  17           1HD      ARG  17  -1.568   2.198   5.894
  106    HD3  ARG  17           2HD      ARG  17   0.179   2.165   6.097
  107    HE   ARG  17           HE       ARG  17   0.019   3.195   8.154
  108   HH11  ARG  17          2HH1      ARG  17  -3.230   3.451   6.720
  109   HH12  ARG  17          1HH1      ARG  17  -3.880   4.001   8.234
  110   HH21  ARG  17          2HH2      ARG  17  -0.948   3.910   9.989
  111   HH22  ARG  17          1HH2      ARG  17  -2.650   4.260  10.005
  112    H    LYS  18           H        LYS  18   1.999   4.048   2.398
  113    HA   LYS  18           HA       LYS  18   1.672   3.276  -0.452
  114    HB2  LYS  18           1HB      LYS  18   3.591   5.449   0.459
  115    HB3  LYS  18           2HB      LYS  18   3.569   4.690  -1.141
  116    HG2  LYS  18           1HG      LYS  18   1.233   5.477  -1.474
  117    HG3  LYS  18           2HG      LYS  18   1.337   6.379   0.044
  118    HD2  LYS  18           1HD      LYS  18   3.159   6.785  -2.369
  119    HD3  LYS  18           2HD      LYS  18   1.738   7.769  -1.979
  120    HE2  LYS  18           1HE      LYS  18   2.781   8.383   0.208
  121    HE3  LYS  18           2HE      LYS  18   4.227   7.464  -0.234
  122    HZ1  LYS  18           3HZ      LYS  18   4.489   9.822  -0.750
  123    HZ2  LYS  18           1HZ      LYS  18   3.179   9.817  -1.720
  124    HZ3  LYS  18           2HZ      LYS  18   4.511   8.967  -2.141
  125    H    PHE  19           H        PHE  19   3.257   2.042  -1.376
  126    HA   PHE  19           HA       PHE  19   5.148   0.644   0.479
  127    HB2  PHE  19           1HB      PHE  19   3.163  -0.584  -1.451
  128    HB3  PHE  19           2HB      PHE  19   4.251  -1.472  -0.413
  129    HD1  PHE  19           1HD      PHE  19   3.925  -1.579   2.046
  130    HD2  PHE  19           2HD      PHE  19   1.140   0.484  -0.513
  131    HE1  PHE  19           1HE      PHE  19   2.325  -1.396   3.938
  132    HE2  PHE  19           2HE      PHE  19  -0.442   0.718   1.402
  133    HZ   PHE  19           HZ       PHE  19   0.159  -0.226   3.625
  134    H    LYS  20           H        LYS  20   6.711  -0.715  -0.503
  135    HA   LYS  20           HA       LYS  20   8.012   0.461  -2.803
  136    HB2  LYS  20           1HB      LYS  20   8.632  -2.138  -1.315
  137    HB3  LYS  20           2HB      LYS  20   9.695  -1.320  -2.461
  138    HG2  LYS  20           1HG      LYS  20   9.749   0.668  -0.926
  139    HG3  LYS  20           2HG      LYS  20   8.794  -0.263   0.249
  140    HD2  LYS  20           1HD      LYS  20  10.578  -1.975   0.352
  141    HD3  LYS  20           2HD      LYS  20  11.534  -1.056  -0.832
  142    HE2  LYS  20           1HE      LYS  20  11.587   0.885   0.721
  143    HE3  LYS  20           2HE      LYS  20  10.643  -0.032   1.903
  144    HZ1  LYS  20           3HZ      LYS  20  13.020  -0.142   2.393
  145    HZ2  LYS  20           1HZ      LYS  20  13.351  -0.787   0.933
  146    HZ3  LYS  20           2HZ      LYS  20  12.479  -1.635   2.025
  147    H    ASN  21           H        ASN  21   6.131  -2.472  -2.338
  148    HA   ASN  21           HA       ASN  21   6.329  -3.112  -5.254
  149    HB2  ASN  21           1HB      ASN  21   6.039  -5.112  -2.981
  150    HB3  ASN  21           2HB      ASN  21   6.254  -5.473  -4.689
  151   HD21  ASN  21          1HD2      ASN  21   7.805  -4.986  -1.723
  152   HD22  ASN  21          2HD2      ASN  21   9.456  -5.015  -2.345
  153    H    GLU  22           H        GLU  22   4.561  -4.217  -6.167
  154    HA   GLU  22           HA       GLU  22   1.950  -3.238  -5.480
  155    HB2  GLU  22           1HB      GLU  22   2.819  -4.079  -7.758
  156    HB3  GLU  22           2HB      GLU  22   2.584  -5.711  -7.147
  157    HG2  GLU  22           1HG      GLU  22   0.172  -5.230  -6.797
  158    HG3  GLU  22           2HG      GLU  22   0.416  -3.567  -7.330
  159    H    LEU  23           H        LEU  23   3.623  -6.295  -4.857
  160    HA   LEU  23           HA       LEU  23   1.580  -7.754  -3.558
  161    HB2  LEU  23           1HB      LEU  23   3.612  -8.800  -4.312
  162    HB3  LEU  23           2HB      LEU  23   4.611  -7.736  -3.316
  163    HG   LEU  23           HG       LEU  23   3.719  -8.790  -1.258
  164   HD11  LEU  23          1HD1      LEU  23   2.470 -10.925  -1.422
  165   HD12  LEU  23          2HD1      LEU  23   2.293 -10.684  -3.175
  166   HD13  LEU  23          3HD1      LEU  23   1.518  -9.568  -2.026
  167   HD21  LEU  23          3HD2      LEU  23   4.890 -10.933  -1.527
  168   HD22  LEU  23          1HD2      LEU  23   5.787  -9.597  -2.269
  169   HD23  LEU  23          2HD2      LEU  23   4.871 -10.732  -3.293
  170    H    ASP  24           H        ASP  24   4.081  -5.591  -2.067
  171    HA   ASP  24           HA       ASP  24   3.192  -6.047   0.603
  172    HB2  ASP  24           1HB      ASP  24   4.814  -3.818  -0.643
  173    HB3  ASP  24           2HB      ASP  24   4.468  -3.905   1.088
  174    H    ARG  25           H        ARG  25   2.110  -3.676  -1.784
  175    HA   ARG  25           HA       ARG  25   0.302  -2.308   0.080
  176    HB2  ARG  25           1HB      ARG  25   1.294  -1.327  -2.022
  177    HB3  ARG  25           2HB      ARG  25   0.296  -2.361  -2.969
  178    HG2  ARG  25           1HG      ARG  25  -0.825  -0.364  -0.914
  179    HG3  ARG  25           2HG      ARG  25  -0.442   0.081  -2.577
  180    HD2  ARG  25           1HD      ARG  25  -2.557  -1.837  -1.599
  181    HD3  ARG  25           2HD      ARG  25  -2.779  -0.300  -2.406
  182    HE   ARG  25           HE       ARG  25  -1.508  -2.700  -3.632
  183   HH11  ARG  25          2HH1      ARG  25  -3.030   0.384  -4.282
  184   HH12  ARG  25          1HH1      ARG  25  -3.504  -0.095  -5.894
  185   HH21  ARG  25          2HH2      ARG  25  -2.398  -3.352  -5.504
  186   HH22  ARG  25          1HH2      ARG  25  -3.046  -2.169  -6.638
  187    H    ASP  26           H        ASP  26  -0.085  -4.885  -2.380
  188    HA   ASP  26           HA       ASP  26  -2.875  -5.176  -2.079
  189    HB2  ASP  26           1HB      ASP  26  -0.659  -6.990  -3.072
  190    HB3  ASP  26           2HB      ASP  26  -2.289  -7.601  -2.894
  191    H    ARG  27           H        ARG  27  -0.249  -6.874  -0.269
  192    HA   ARG  27           HA       ARG  27  -2.091  -8.399   1.388
  193    HB2  ARG  27           1HB      ARG  27  -0.300  -9.014   2.739
  194    HB3  ARG  27           2HB      ARG  27   0.103  -9.211   1.033
  195    HG2  ARG  27           1HG      ARG  27   1.565  -7.321   1.065
  196    HG3  ARG  27           2HG      ARG  27   0.972  -6.766   2.626
  197    HD2  ARG  27           1HD      ARG  27   3.127  -7.793   2.941
  198    HD3  ARG  27           2HD      ARG  27   1.835  -8.748   3.699
  199    HE   ARG  27           HE       ARG  27   2.020 -10.407   1.981
  200   HH11  ARG  27          1HH1      ARG  27   4.771  -8.133   1.683
  201   HH12  ARG  27          2HH1      ARG  27   5.786  -9.422   1.150
  202   HH21  ARG  27          2HH2      ARG  27   3.433 -11.894   1.247
  203   HH22  ARG  27          1HH2      ARG  27   5.069 -11.449   0.880
  204    H    HIS  28           H        HIS  28  -0.996  -5.095   1.614
  205    HA   HIS  28           HA       HIS  28  -2.037  -4.719   4.338
  206    HB2  HIS  28           1HB      HIS  28  -0.307  -3.249   3.720
  207    HB3  HIS  28           2HB      HIS  28  -1.005  -2.890   2.152
  208    HD1  HIS  28           1HD      HIS  28  -1.542  -2.003   5.845
  209    HD2  HIS  28           2HD      HIS  28  -2.894  -1.046   1.978
  210    HE1  HIS  28           1HE      HIS  28  -3.011   0.046   6.116
  211    H    MET  29           H        MET  29  -3.449  -4.318   1.001
  212    HA   MET  29           HA       MET  29  -5.848  -3.110   1.865
  213    HB2  MET  29           1HB      MET  29  -5.630  -5.175  -0.344
  214    HB3  MET  29           2HB      MET  29  -6.893  -3.974  -0.141
  215    HG2  MET  29           1HG      MET  29  -4.004  -3.486  -0.860
  216    HG3  MET  29           2HG      MET  29  -5.393  -3.280  -1.896
  217    HE1  MET  29           3HE      MET  29  -6.993  -1.407  -1.922
  218    HE2  MET  29           1HE      MET  29  -7.538  -1.569  -0.237
  219    HE3  MET  29           2HE      MET  29  -6.996   0.009  -0.857
  220    H    LEU  30           H        LEU  30  -4.838  -6.408   2.392
  221    HA   LEU  30           HA       LEU  30  -7.326  -7.671   2.943
  222    HB2  LEU  30           1HB      LEU  30  -4.654  -8.112   4.329
  223    HB3  LEU  30           2HB      LEU  30  -5.998  -9.236   4.278
  224    HG   LEU  30           HG       LEU  30  -4.314  -8.371   1.888
  225   HD11  LEU  30          1HD1      LEU  30  -3.139  -9.854   3.480
  226   HD12  LEU  30          2HD1      LEU  30  -3.467 -10.673   1.944
  227   HD13  LEU  30          3HD1      LEU  30  -4.469 -11.028   3.371
  228   HD21  LEU  30          3HD2      LEU  30  -5.458 -10.180   0.663
  229   HD22  LEU  30          1HD2      LEU  30  -6.582  -8.901   1.132
  230   HD23  LEU  30          2HD2      LEU  30  -6.550 -10.430   2.045
  231    H    VAL  31           H        VAL  31  -5.501  -5.337   4.906
  232    HA   VAL  31           HA       VAL  31  -6.933  -5.896   7.368
  233    HB   VAL  31           HB       VAL  31  -5.863  -4.131   8.348
  234   HG11  VAL  31          1HG1      VAL  31  -4.301  -5.892   7.657
  235   HG12  VAL  31          2HG1      VAL  31  -3.855  -4.921   6.238
  236   HG13  VAL  31          3HG1      VAL  31  -3.541  -4.305   7.867
  237   HG21  VAL  31          3HG2      VAL  31  -5.542  -2.763   5.681
  238   HG22  VAL  31          1HG2      VAL  31  -6.394  -2.211   7.126
  239   HG23  VAL  31          2HG2      VAL  31  -4.633  -2.297   7.134
  240    H    HIS  32           H        HIS  32  -7.658  -4.031   4.555
  241    HA   HIS  32           HA       HIS  32  -9.986  -2.656   5.780
  242    HB2  HIS  32           1HB      HIS  32  -8.913  -2.535   2.939
  243    HB3  HIS  32           2HB      HIS  32 -10.087  -1.455   3.677
  244    HD1  HIS  32           1HD      HIS  32  -8.676  -0.472   6.252
  245    HD2  HIS  32           2HD      HIS  32  -6.812  -1.114   2.538
  246    HE1  HIS  32           1HE      HIS  32  -6.593   0.980   6.275
  247    H    GLY  33           H        GLY  33  -9.251  -5.356   3.648
  248    HA2  GLY  33           1HA      GLY  33 -11.557  -5.617   2.160
  249    HA3  GLY  33           2HA      GLY  33 -10.500  -6.952   2.613
  250    H    ASP  34           H        ASP  34 -11.429  -6.270   5.569
  251    HA   ASP  34           HA       ASP  34 -13.700  -8.080   5.717
  252    HB2  ASP  34           1HB      ASP  34 -11.975  -7.828   7.487
  253    HB3  ASP  34           2HB      ASP  34 -12.515  -6.172   7.770
  254    H    LYS  35           H        LYS  35 -13.363  -4.615   5.344
  255    HA   LYS  35           HA       LYS  35 -16.320  -4.181   5.694
  256    HB2  LYS  35           1HB      LYS  35 -14.030  -2.213   6.088
  257    HB3  LYS  35           2HB      LYS  35 -15.740  -1.851   6.271
  258    HG2  LYS  35           1HG      LYS  35 -14.078  -3.700   8.026
  259    HG3  LYS  35           2HG      LYS  35 -14.697  -2.098   8.434
  260    HD2  LYS  35           1HD      LYS  35 -17.051  -3.028   8.100
  261    HD3  LYS  35           2HD      LYS  35 -16.330  -4.637   8.004
  262    HE2  LYS  35           1HE      LYS  35 -16.205  -2.712  10.366
  263    HE3  LYS  35           2HE      LYS  35 -17.187  -4.174  10.245
  264    HZ1  LYS  35           3HZ      LYS  35 -15.048  -5.440  10.041
  265    HZ2  LYS  35           1HZ      LYS  35 -15.232  -4.698  11.491
  266    HZ3  LYS  35           2HZ      LYS  35 -14.226  -4.068  10.370
  267    H    TRP  36           H        TRP  36 -13.611  -3.698   3.525
  268    HA   TRP  36           HA       TRP  36 -15.288  -2.103   1.641
  269    HB2  TRP  36           1HB      TRP  36 -12.284  -2.314   1.970
  270    HB3  TRP  36           2HB      TRP  36 -13.098  -1.418   0.698
  271    HD1  TRP  36           1HD      TRP  36 -12.410  -1.301   4.443
  272    HE1  TRP  36           1HE      TRP  36 -12.852   1.064   5.343
  273    HE3  TRP  36           3HE      TRP  36 -14.515   0.768   0.258
  274    HZ2  TRP  36           2HZ      TRP  36 -13.951   3.542   4.361
  275    HZ3  TRP  36           3HZ      TRP  36 -15.246   3.143   0.267
  276    HH2  TRP  36           2HH      TRP  36 -14.968   4.538   2.306
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  21.551   1.333 -11.771
    2    H2   GLY   1           2H       GLY   1  20.985   0.111 -12.700
    3    H3   GLY   1           3H       GLY   1  22.195  -0.167 -11.631
    4    HA2  GLY   1           1HA      GLY   1  20.125  -1.050 -10.777
    5    HA3  GLY   1           2HA      GLY   1  20.755   0.261  -9.762
    6    H    SER   2           H        SER   2  18.039  -0.556  -9.813
    7    HA   SER   2           HA       SER   2  16.428   1.232 -11.438
    8    HB2  SER   2           1HB      SER   2  15.585  -0.929 -10.664
    9    HB3  SER   2           2HB      SER   2  15.717  -0.399  -8.975
   10    HG   SER   2           HG       SER   2  13.586  -0.179  -9.972
   11    H    SER   3           H        SER   3  15.320   3.084 -10.868
   12    HA   SER   3           HA       SER   3  16.298   4.756  -8.674
   13    HB2  SER   3           1HB      SER   3  14.600   6.351  -9.534
   14    HB3  SER   3           2HB      SER   3  15.730   5.788 -10.777
   15    HG   SER   3           HG       SER   3  13.544   5.749 -11.505
   16    H    GLY   4           H        GLY   4  13.870   2.331  -8.964
   17    HA2  GLY   4           1HA      GLY   4  12.012   3.309  -6.959
   18    HA3  GLY   4           2HA      GLY   4  12.075   1.695  -7.670
   19    H    SER   5           H        SER   5  15.147   2.352  -6.404
   20    HA   SER   5           HA       SER   5  14.894   0.357  -4.364
   21    HB2  SER   5           1HB      SER   5  17.256   0.896  -3.901
   22    HB3  SER   5           2HB      SER   5  16.939   0.678  -5.631
   23    HG   SER   5           HG       SER   5  18.214   2.535  -5.262
   24    H    SER   6           H        SER   6  14.860   3.897  -4.175
   25    HA   SER   6           HA       SER   6  14.552   3.776  -1.200
   26    HB2  SER   6           1HB      SER   6  15.338   6.094  -1.217
   27    HB3  SER   6           2HB      SER   6  16.506   4.993  -1.969
   28    HG   SER   6           HG       SER   6  16.189   6.910  -3.207
   29    H    GLY   7           H        GLY   7  12.808   4.598  -4.084
   30    HA2  GLY   7           1HA      GLY   7  10.899   6.428  -2.828
   31    HA3  GLY   7           2HA      GLY   7  10.839   5.781  -4.461
   32    H    LEU   8           H        LEU   8   8.532   5.988  -3.355
   33    HA   LEU   8           HA       LEU   8   7.666   3.186  -2.792
   34    HB2  LEU   8           1HB      LEU   8   6.355   5.746  -1.806
   35    HB3  LEU   8           2HB      LEU   8   5.698   4.120  -1.627
   36    HG   LEU   8           HG       LEU   8   8.335   5.046  -0.395
   37   HD11  LEU   8          1HD1      LEU   8   6.385   6.223   0.574
   38   HD12  LEU   8          2HD1      LEU   8   7.134   5.104   1.724
   39   HD13  LEU   8          3HD1      LEU   8   5.619   4.654   0.918
   40   HD21  LEU   8          3HD2      LEU   8   6.655   2.558   0.126
   41   HD22  LEU   8          1HD2      LEU   8   8.153   3.006   0.963
   42   HD23  LEU   8          2HD2      LEU   8   8.200   2.581  -0.751
   43    H    LEU   9           H        LEU   9   6.266   2.361  -4.180
   44    HA   LEU   9           HA       LEU   9   5.674   3.978  -6.627
   45    HB2  LEU   9           1HB      LEU   9   6.259   1.043  -6.109
   46    HB3  LEU   9           2HB      LEU   9   5.653   1.628  -7.641
   47    HG   LEU   9           HG       LEU   9   7.975   1.186  -7.742
   48   HD11  LEU   9          1HD1      LEU   9   7.554   4.196  -7.885
   49   HD12  LEU   9          2HD1      LEU   9   7.063   3.025  -9.129
   50   HD13  LEU   9          3HD1      LEU   9   8.780   3.251  -8.751
   51   HD21  LEU   9          3HD2      LEU   9   9.725   2.307  -6.610
   52   HD22  LEU   9          1HD2      LEU   9   8.620   1.690  -5.375
   53   HD23  LEU   9          2HD2      LEU   9   8.615   3.422  -5.805
   54    H    TYR  10           H        TYR  10   4.146   1.904  -4.235
   55    HA   TYR  10           HA       TYR  10   1.565   1.964  -5.765
   56    HB2  TYR  10           1HB      TYR  10   2.604  -0.168  -3.866
   57    HB3  TYR  10           2HB      TYR  10   1.055  -0.181  -4.676
   58    HD1  TYR  10           1HD      TYR  10   4.714  -0.473  -5.179
   59    HD2  TYR  10           2HD      TYR  10   0.836  -0.678  -7.056
   60    HE1  TYR  10           1HE      TYR  10   5.764  -1.391  -7.252
   61    HE2  TYR  10           2HE      TYR  10   1.876  -1.646  -9.101
   62    HH   TYR  10           HH       TYR  10   5.414  -2.171  -9.379
   63    H    ASP  11           H        ASP  11  -0.343   2.401  -4.709
   64    HA   ASP  11           HA       ASP  11  -0.141   3.369  -1.898
   65    HB2  ASP  11           1HB      ASP  11  -1.350   5.309  -2.412
   66    HB3  ASP  11           2HB      ASP  11  -0.036   5.206  -3.576
   67    H    CYS  12           H        CYS  12  -1.754   3.093  -0.549
   68    HA   CYS  12           HA       CYS  12  -4.015   1.310  -1.196
   69    HB2  CYS  12           1HB      CYS  12  -2.721   0.963   0.833
   70    HB3  CYS  12           2HB      CYS  12  -3.010   2.640   1.345
   71    H    HIS  13           H        HIS  13  -5.881   2.130  -1.932
   72    HA   HIS  13           HA       HIS  13  -6.397   4.999  -1.851
   73    HB2  HIS  13           1HB      HIS  13  -8.252   4.556  -3.288
   74    HB3  HIS  13           2HB      HIS  13  -6.811   3.746  -3.881
   75    HD1  HIS  13           1HD      HIS  13 -10.155   2.903  -2.118
   76    HD2  HIS  13           2HD      HIS  13  -7.092   1.192  -4.438
   77    HE1  HIS  13           1HE      HIS  13 -10.971   0.574  -2.774
   78    H    ILE  14           H        ILE  14  -6.805   2.854   0.552
   79    HA   ILE  14           HA       ILE  14  -9.470   3.813   1.467
   80    HB   ILE  14           HB       ILE  14  -7.683   1.768   2.758
   81   HG12  ILE  14          1HG1      ILE  14  -8.195   1.017   0.447
   82   HG13  ILE  14          2HG1      ILE  14  -8.883   0.009   1.701
   83   HG21  ILE  14          1HG2      ILE  14 -10.621   2.489   3.085
   84   HG22  ILE  14          2HG2      ILE  14  -9.898   1.011   3.738
   85   HG23  ILE  14          3HG2      ILE  14  -9.331   2.582   4.300
   86   HD11  ILE  14          3HD1      ILE  14 -10.447   2.076   0.139
   87   HD12  ILE  14          1HD1      ILE  14 -10.398   0.323  -0.180
   88   HD13  ILE  14          2HD1      ILE  14 -11.098   0.917   1.332
   89    H    CYS  15           H        CYS  15  -6.048   3.831   2.424
   90    HA   CYS  15           HA       CYS  15  -6.592   5.808   4.586
   91    HB2  CYS  15           1HB      CYS  15  -5.203   4.608   6.088
   92    HB3  CYS  15           2HB      CYS  15  -6.488   3.561   5.483
   93    H    GLU  16           H        GLU  16  -4.931   5.365   1.781
   94    HA   GLU  16           HA       GLU  16  -3.376   6.528   0.715
   95    HB2  GLU  16           1HB      GLU  16  -4.607   8.324   2.264
   96    HB3  GLU  16           2HB      GLU  16  -2.982   8.507   2.917
   97    HG2  GLU  16           1HG      GLU  16  -2.156   8.854   0.529
   98    HG3  GLU  16           2HG      GLU  16  -3.832   8.749  -0.009
   99    H    ARG  17           H        ARG  17  -2.515   4.601   3.121
  100    HA   ARG  17           HA       ARG  17   0.328   5.178   3.364
  101    HB2  ARG  17           1HB      ARG  17  -1.282   2.624   3.752
  102    HB3  ARG  17           2HB      ARG  17   0.478   2.681   3.927
  103    HG2  ARG  17           1HG      ARG  17   0.287   4.457   5.646
  104    HG3  ARG  17           2HG      ARG  17  -1.474   4.392   5.485
  105    HD2  ARG  17           1HD      ARG  17  -1.325   1.921   6.073
  106    HD3  ARG  17           2HD      ARG  17   0.396   2.173   6.417
  107    HE   ARG  17           HE       ARG  17  -1.317   4.040   7.851
  108   HH11  ARG  17          2HH1      ARG  17  -0.055   0.778   8.075
  109   HH12  ARG  17          1HH1      ARG  17  -0.276   0.716   9.802
  110   HH21  ARG  17          2HH2      ARG  17  -1.550   3.899  10.053
  111   HH22  ARG  17          1HH2      ARG  17  -1.099   2.441  10.886
  112    H    LYS  18           H        LYS  18   2.007   3.969   2.492
  113    HA   LYS  18           HA       LYS  18   1.636   3.151  -0.355
  114    HB2  LYS  18           1HB      LYS  18   3.342   5.468   0.590
  115    HB3  LYS  18           2HB      LYS  18   3.533   4.693  -0.991
  116    HG2  LYS  18           1HG      LYS  18   1.359   5.266  -1.714
  117    HG3  LYS  18           2HG      LYS  18   0.870   5.872  -0.135
  118    HD2  LYS  18           1HD      LYS  18   3.106   7.081  -1.801
  119    HD3  LYS  18           2HD      LYS  18   1.439   7.653  -1.846
  120    HE2  LYS  18           1HE      LYS  18   3.081   7.497   0.718
  121    HE3  LYS  18           2HE      LYS  18   3.055   8.925  -0.320
  122    HZ1  LYS  18           3HZ      LYS  18   1.428   9.112   1.472
  123    HZ2  LYS  18           1HZ      LYS  18   0.632   7.770   0.992
  124    HZ3  LYS  18           2HZ      LYS  18   0.663   9.096   0.036
  125    H    PHE  19           H        PHE  19   3.257   2.070  -1.356
  126    HA   PHE  19           HA       PHE  19   5.197   0.650   0.439
  127    HB2  PHE  19           1HB      PHE  19   3.196  -0.620  -1.441
  128    HB3  PHE  19           2HB      PHE  19   4.311  -1.476  -0.406
  129    HD1  PHE  19           1HD      PHE  19   4.015  -1.553   2.064
  130    HD2  PHE  19           2HD      PHE  19   1.167   0.439  -0.482
  131    HE1  PHE  19           1HE      PHE  19   2.428  -1.395   3.966
  132    HE2  PHE  19           2HE      PHE  19  -0.402   0.649   1.443
  133    HZ   PHE  19           HZ       PHE  19   0.233  -0.273   3.665
  134    H    LYS  20           H        LYS  20   6.652  -0.801  -0.622
  135    HA   LYS  20           HA       LYS  20   8.018   0.511  -2.819
  136    HB2  LYS  20           1HB      LYS  20   8.644  -2.134  -1.402
  137    HB3  LYS  20           2HB      LYS  20   9.680  -1.309  -2.548
  138    HG2  LYS  20           1HG      LYS  20  10.628  -0.734  -0.556
  139    HG3  LYS  20           2HG      LYS  20   9.695   0.689  -0.982
  140    HD2  LYS  20           1HD      LYS  20   9.592   0.198   1.426
  141    HD3  LYS  20           2HD      LYS  20   8.005   0.136   0.706
  142    HE2  LYS  20           1HE      LYS  20   8.182  -1.676   2.268
  143    HE3  LYS  20           2HE      LYS  20   8.141  -2.380   0.654
  144    HZ1  LYS  20           3HZ      LYS  20  10.578  -2.624   0.788
  145    HZ2  LYS  20           1HZ      LYS  20   9.855  -3.397   2.027
  146    HZ3  LYS  20           2HZ      LYS  20  10.594  -1.966   2.285
  147    H    ASN  21           H        ASN  21   6.310  -2.558  -2.466
  148    HA   ASN  21           HA       ASN  21   6.250  -2.876  -5.439
  149    HB2  ASN  21           1HB      ASN  21   6.324  -5.364  -5.042
  150    HB3  ASN  21           2HB      ASN  21   7.818  -4.532  -4.691
  151   HD21  ASN  21          1HD2      ASN  21   8.615  -4.532  -2.558
  152   HD22  ASN  21          2HD2      ASN  21   7.684  -5.191  -1.199
  153    H    GLU  22           H        GLU  22   4.499  -4.152  -6.230
  154    HA   GLU  22           HA       GLU  22   1.968  -3.197  -5.365
  155    HB2  GLU  22           1HB      GLU  22   2.704  -4.016  -7.692
  156    HB3  GLU  22           2HB      GLU  22   2.480  -5.655  -7.094
  157    HG2  GLU  22           1HG      GLU  22   0.097  -5.167  -6.635
  158    HG3  GLU  22           2HG      GLU  22   0.327  -3.487  -7.119
  159    H    LEU  23           H        LEU  23   3.646  -6.253  -4.804
  160    HA   LEU  23           HA       LEU  23   1.608  -7.752  -3.539
  161    HB2  LEU  23           1HB      LEU  23   3.599  -8.790  -4.335
  162    HB3  LEU  23           2HB      LEU  23   4.648  -7.750  -3.379
  163    HG   LEU  23           HG       LEU  23   3.795  -8.837  -1.285
  164   HD11  LEU  23          1HD1      LEU  23   2.310 -10.683  -3.209
  165   HD12  LEU  23          2HD1      LEU  23   1.564  -9.579  -2.032
  166   HD13  LEU  23          3HD1      LEU  23   2.515 -10.953  -1.463
  167   HD21  LEU  23          3HD2      LEU  23   4.841 -10.782  -3.383
  168   HD22  LEU  23          1HD2      LEU  23   4.938 -10.982  -1.619
  169   HD23  LEU  23          2HD2      LEU  23   5.824  -9.668  -2.406
  170    H    ASP  24           H        ASP  24   4.099  -5.645  -1.988
  171    HA   ASP  24           HA       ASP  24   3.231  -6.012   0.664
  172    HB2  ASP  24           1HB      ASP  24   4.850  -3.882  -0.718
  173    HB3  ASP  24           2HB      ASP  24   4.340  -3.649   0.948
  174    H    ARG  25           H        ARG  25   2.089  -3.707  -1.731
  175    HA   ARG  25           HA       ARG  25   0.279  -2.313   0.118
  176    HB2  ARG  25           1HB      ARG  25   1.308  -1.336  -1.968
  177    HB3  ARG  25           2HB      ARG  25   0.318  -2.360  -2.933
  178    HG2  ARG  25           1HG      ARG  25  -0.821  -0.349  -0.905
  179    HG3  ARG  25           2HG      ARG  25  -0.404   0.086  -2.562
  180    HD2  ARG  25           1HD      ARG  25  -2.557  -1.802  -1.617
  181    HD3  ARG  25           2HD      ARG  25  -2.753  -0.275  -2.440
  182    HE   ARG  25           HE       ARG  25  -1.484  -2.693  -3.633
  183   HH11  ARG  25          2HH1      ARG  25  -3.002   0.392  -4.318
  184   HH12  ARG  25          1HH1      ARG  25  -3.451  -0.099  -5.932
  185   HH21  ARG  25          2HH2      ARG  25  -2.339  -3.344  -5.519
  186   HH22  ARG  25          1HH2      ARG  25  -2.976  -2.165  -6.662
  187    H    ASP  26           H        ASP  26  -0.087  -4.878  -2.338
  188    HA   ASP  26           HA       ASP  26  -2.890  -5.154  -2.102
  189    HB2  ASP  26           1HB      ASP  26  -0.657  -6.966  -3.061
  190    HB3  ASP  26           2HB      ASP  26  -2.284  -7.585  -2.904
  191    H    ARG  27           H        ARG  27  -0.279  -6.885  -0.281
  192    HA   ARG  27           HA       ARG  27  -2.205  -8.361   1.319
  193    HB2  ARG  27           1HB      ARG  27  -0.435  -9.099   2.685
  194    HB3  ARG  27           2HB      ARG  27  -0.012  -9.274   0.985
  195    HG2  ARG  27           1HG      ARG  27   1.537  -7.447   1.091
  196    HG3  ARG  27           2HG      ARG  27   0.963  -6.922   2.663
  197    HD2  ARG  27           1HD      ARG  27   1.773  -9.002   3.688
  198    HD3  ARG  27           2HD      ARG  27   2.226  -9.650   2.101
  199    HE   ARG  27           HE       ARG  27   3.769  -7.403   2.197
  200   HH11  ARG  27          2HH1      ARG  27   3.425 -10.005   4.540
  201   HH12  ARG  27          1HH1      ARG  27   5.072  -9.826   5.073
  202   HH21  ARG  27          2HH2      ARG  27   5.769  -7.275   2.856
  203   HH22  ARG  27          1HH2      ARG  27   6.395  -8.292   4.153
  204    H    HIS  28           H        HIS  28  -0.942  -5.131   1.652
  205    HA   HIS  28           HA       HIS  28  -2.017  -4.768   4.363
  206    HB2  HIS  28           1HB      HIS  28  -0.261  -3.302   3.757
  207    HB3  HIS  28           2HB      HIS  28  -0.973  -2.915   2.197
  208    HD1  HIS  28           1HD      HIS  28  -1.526  -2.106   5.922
  209    HD2  HIS  28           2HD      HIS  28  -2.866  -1.086   2.070
  210    HE1  HIS  28           1HE      HIS  28  -3.051  -0.100   6.230
  211    H    MET  29           H        MET  29  -3.378  -4.259   1.020
  212    HA   MET  29           HA       MET  29  -5.749  -3.016   1.885
  213    HB2  MET  29           1HB      MET  29  -5.492  -4.945  -0.453
  214    HB3  MET  29           2HB      MET  29  -6.779  -3.775  -0.176
  215    HG2  MET  29           1HG      MET  29  -4.568  -2.141  -0.027
  216    HG3  MET  29           2HG      MET  29  -4.025  -3.372  -1.161
  217    HE1  MET  29           3HE      MET  29  -7.478  -1.534  -0.465
  218    HE2  MET  29           1HE      MET  29  -6.197  -0.299  -0.472
  219    HE3  MET  29           2HE      MET  29  -7.423  -0.320  -1.753
  220    H    LEU  30           H        LEU  30  -4.876  -6.352   2.332
  221    HA   LEU  30           HA       LEU  30  -7.417  -7.532   2.835
  222    HB2  LEU  30           1HB      LEU  30  -4.783  -8.076   4.256
  223    HB3  LEU  30           2HB      LEU  30  -6.164  -9.153   4.174
  224    HG   LEU  30           HG       LEU  30  -4.419  -8.326   1.815
  225   HD11  LEU  30          1HD1      LEU  30  -4.667 -10.984   3.280
  226   HD12  LEU  30          2HD1      LEU  30  -3.306  -9.849   3.408
  227   HD13  LEU  30          3HD1      LEU  30  -3.641 -10.650   1.865
  228   HD21  LEU  30          3HD2      LEU  30  -6.694  -8.784   1.032
  229   HD22  LEU  30          1HD2      LEU  30  -6.716 -10.320   1.933
  230   HD23  LEU  30          2HD2      LEU  30  -5.601 -10.091   0.564
  231    H    VAL  31           H        VAL  31  -5.522  -5.295   4.871
  232    HA   VAL  31           HA       VAL  31  -6.976  -5.854   7.307
  233    HB   VAL  31           HB       VAL  31  -5.909  -4.093   8.309
  234   HG11  VAL  31          1HG1      VAL  31  -3.583  -4.306   7.863
  235   HG12  VAL  31          2HG1      VAL  31  -4.371  -5.881   7.666
  236   HG13  VAL  31          3HG1      VAL  31  -3.885  -4.941   6.241
  237   HG21  VAL  31          3HG2      VAL  31  -5.524  -2.732   5.650
  238   HG22  VAL  31          1HG2      VAL  31  -6.386  -2.168   7.082
  239   HG23  VAL  31          2HG2      VAL  31  -4.629  -2.284   7.116
  240    H    HIS  32           H        HIS  32  -7.747  -4.023   4.523
  241    HA   HIS  32           HA       HIS  32 -10.123  -2.731   5.770
  242    HB2  HIS  32           1HB      HIS  32  -9.057  -2.359   2.963
  243    HB3  HIS  32           2HB      HIS  32 -10.188  -1.334   3.834
  244    HD1  HIS  32           1HD      HIS  32  -8.766  -0.342   6.311
  245    HD2  HIS  32           2HD      HIS  32  -6.839  -1.206   2.683
  246    HE1  HIS  32           1HE      HIS  32  -6.609   1.006   6.347
  247    H    GLY  33           H        GLY  33  -9.512  -5.668   4.598
  248    HA2  GLY  33           1HA      GLY  33 -11.240  -6.120   2.403
  249    HA3  GLY  33           2HA      GLY  33 -10.559  -7.342   3.464
  250    H    ASP  34           H        ASP  34 -12.647  -8.282   2.723
  251    HA   ASP  34           HA       ASP  34 -15.167  -7.245   3.602
  252    HB2  ASP  34           1HB      ASP  34 -14.639  -8.458   1.476
  253    HB3  ASP  34           2HB      ASP  34 -14.476  -9.941   2.419
  254    H    LYS  35           H        LYS  35 -13.674  -7.606   5.874
  255    HA   LYS  35           HA       LYS  35 -14.176  -9.992   7.383
  256    HB2  LYS  35           1HB      LYS  35 -12.371  -8.358   7.839
  257    HB3  LYS  35           2HB      LYS  35 -13.566  -7.125   8.235
  258    HG2  LYS  35           1HG      LYS  35 -12.567  -8.000  10.253
  259    HG3  LYS  35           2HG      LYS  35 -14.277  -8.411  10.214
  260    HD2  LYS  35           1HD      LYS  35 -13.707 -10.725   9.487
  261    HD3  LYS  35           2HD      LYS  35 -11.982 -10.295   9.521
  262    HE2  LYS  35           1HE      LYS  35 -12.178  -9.747  11.939
  263    HE3  LYS  35           2HE      LYS  35 -13.901 -10.146  11.895
  264    HZ1  LYS  35           3HZ      LYS  35 -13.288 -12.436  11.319
  265    HZ2  LYS  35           1HZ      LYS  35 -12.582 -12.009  12.725
  266    HZ3  LYS  35           2HZ      LYS  35 -11.696 -12.068  11.358
  267    H    TRP  36           H        TRP  36 -16.161  -7.145   6.876
  268    HA   TRP  36           HA       TRP  36 -18.206  -8.106   8.828
  269    HB2  TRP  36           1HB      TRP  36 -17.462  -5.240   8.198
  270    HB3  TRP  36           2HB      TRP  36 -18.664  -5.791   9.350
  271    HD1  TRP  36           1HD      TRP  36 -15.285  -4.578   9.232
  272    HE1  TRP  36           1HE      TRP  36 -13.942  -5.093  11.364
  273    HE3  TRP  36           3HE      TRP  36 -18.349  -8.141  11.271
  274    HZ2  TRP  36           2HZ      TRP  36 -14.153  -6.859  13.633
  275    HZ3  TRP  36           3HZ      TRP  36 -17.738  -9.240  13.413
  276    HH2  TRP  36           2HH      TRP  36 -15.648  -8.611  14.602
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1  22.036   9.796   5.774
    2    H2   GLY   1           2H       GLY   1  23.339  10.674   5.308
    3    H3   GLY   1           3H       GLY   1  23.081   9.186   4.669
    4    HA2  GLY   1           1HA      GLY   1  21.350  11.539   4.267
    5    HA3  GLY   1           2HA      GLY   1  22.495  10.897   3.074
    6    H    SER   2           H        SER   2  19.430  11.175   3.219
    7    HA   SER   2           HA       SER   2  18.399   8.464   3.266
    8    HB2  SER   2           1HB      SER   2  17.054  11.040   2.380
    9    HB3  SER   2           2HB      SER   2  16.255   9.513   2.801
   10    HG   SER   2           HG       SER   2  16.259  11.001   4.554
   11    H    SER   3           H        SER   3  19.917  10.177   0.733
   12    HA   SER   3           HA       SER   3  18.347   9.481  -1.512
   13    HB2  SER   3           1HB      SER   3  21.353   9.926  -1.393
   14    HB3  SER   3           2HB      SER   3  20.326  10.030  -2.836
   15    HG   SER   3           HG       SER   3  20.725  12.096  -1.910
   16    H    GLY   4           H        GLY   4  18.398   7.861  -3.026
   17    HA2  GLY   4           1HA      GLY   4  20.296   5.809  -3.370
   18    HA3  GLY   4           2HA      GLY   4  19.084   5.199  -2.240
   19    H    SER   5           H        SER   5  19.246   3.775  -4.417
   20    HA   SER   5           HA       SER   5  17.625   4.685  -6.645
   21    HB2  SER   5           1HB      SER   5  18.586   1.885  -5.955
   22    HB3  SER   5           2HB      SER   5  17.973   2.437  -7.525
   23    HG   SER   5           HG       SER   5  20.271   2.438  -7.442
   24    H    SER   6           H        SER   6  16.739   3.316  -3.617
   25    HA   SER   6           HA       SER   6  14.294   1.978  -4.529
   26    HB2  SER   6           1HB      SER   6  13.980   1.543  -2.102
   27    HB3  SER   6           2HB      SER   6  15.523   0.959  -2.744
   28    HG   SER   6           HG       SER   6  15.787   2.065  -0.745
   29    H    GLY   7           H        GLY   7  12.180   2.468  -3.604
   30    HA2  GLY   7           1HA      GLY   7  11.505   4.939  -2.342
   31    HA3  GLY   7           2HA      GLY   7  11.256   5.088  -4.086
   32    H    LEU   8           H        LEU   8   9.114   5.468  -2.662
   33    HA   LEU   8           HA       LEU   8   7.515   2.966  -2.526
   34    HB2  LEU   8           1HB      LEU   8   6.759   5.805  -1.760
   35    HB3  LEU   8           2HB      LEU   8   5.784   4.355  -1.519
   36    HG   LEU   8           HG       LEU   8   8.459   4.944  -0.169
   37   HD11  LEU   8          1HD1      LEU   8   7.139   5.187   1.865
   38   HD12  LEU   8          2HD1      LEU   8   5.641   4.853   0.975
   39   HD13  LEU   8          3HD1      LEU   8   6.572   6.332   0.637
   40   HD21  LEU   8          3HD2      LEU   8   6.518   2.633   0.246
   41   HD22  LEU   8          1HD2      LEU   8   7.955   2.969   1.232
   42   HD23  LEU   8          2HD2      LEU   8   8.144   2.509  -0.463
   43    H    LEU   9           H        LEU   9   6.072   2.431  -3.959
   44    HA   LEU   9           HA       LEU   9   5.668   4.155  -6.389
   45    HB2  LEU   9           1HB      LEU   9   6.373   1.211  -6.104
   46    HB3  LEU   9           2HB      LEU   9   5.850   1.935  -7.614
   47    HG   LEU   9           HG       LEU   9   8.367   2.708  -6.063
   48   HD11  LEU   9          1HD1      LEU   9   8.482   0.453  -7.049
   49   HD12  LEU   9          2HD1      LEU   9   9.562   1.577  -7.888
   50   HD13  LEU   9          3HD1      LEU   9   8.015   1.111  -8.634
   51   HD21  LEU   9          3HD2      LEU   9   7.384   3.574  -8.821
   52   HD22  LEU   9          1HD2      LEU   9   8.998   3.906  -8.154
   53   HD23  LEU   9          2HD2      LEU   9   7.575   4.617  -7.392
   54    H    TYR  10           H        TYR  10   4.150   1.928  -4.160
   55    HA   TYR  10           HA       TYR  10   1.619   1.951  -5.771
   56    HB2  TYR  10           1HB      TYR  10   2.658  -0.191  -3.881
   57    HB3  TYR  10           2HB      TYR  10   1.138  -0.231  -4.740
   58    HD1  TYR  10           1HD      TYR  10   4.826  -0.377  -5.141
   59    HD2  TYR  10           2HD      TYR  10   1.011  -0.718  -7.124
   60    HE1  TYR  10           1HE      TYR  10   5.964  -1.236  -7.197
   61    HE2  TYR  10           2HE      TYR  10   2.136  -1.625  -9.146
   62    HH   TYR  10           HH       TYR  10   4.137  -2.165 -10.135
   63    H    ASP  11           H        ASP  11  -0.317   2.377  -4.755
   64    HA   ASP  11           HA       ASP  11  -0.154   3.378  -1.950
   65    HB2  ASP  11           1HB      ASP  11  -1.331   5.325  -2.554
   66    HB3  ASP  11           2HB      ASP  11   0.028   5.164  -3.656
   67    H    CYS  12           H        CYS  12  -1.786   3.192  -0.617
   68    HA   CYS  12           HA       CYS  12  -4.046   1.407  -1.140
   69    HB2  CYS  12           1HB      CYS  12  -2.845   1.361   0.971
   70    HB3  CYS  12           2HB      CYS  12  -3.152   3.091   1.225
   71    H    HIS  13           H        HIS  13  -6.058   2.003  -1.669
   72    HA   HIS  13           HA       HIS  13  -6.728   4.873  -1.978
   73    HB2  HIS  13           1HB      HIS  13  -8.562   4.130  -3.373
   74    HB3  HIS  13           2HB      HIS  13  -7.017   3.517  -3.930
   75    HD1  HIS  13           1HD      HIS  13  -6.856   0.903  -4.228
   76    HD2  HIS  13           2HD      HIS  13 -10.263   2.280  -2.178
   77    HE1  HIS  13           1HE      HIS  13  -8.407  -1.107  -3.991
   78    H    ILE  14           H        ILE  14  -6.936   2.840   0.566
   79    HA   ILE  14           HA       ILE  14  -9.621   3.800   1.487
   80    HB   ILE  14           HB       ILE  14  -7.855   1.741   2.775
   81   HG12  ILE  14          1HG1      ILE  14  -8.466   0.878   0.572
   82   HG13  ILE  14          2HG1      ILE  14  -9.231  -0.008   1.871
   83   HG21  ILE  14          1HG2      ILE  14 -10.015   1.067   3.888
   84   HG22  ILE  14          2HG2      ILE  14  -9.407   2.654   4.363
   85   HG23  ILE  14          3HG2      ILE  14 -10.754   2.536   3.212
   86   HD11  ILE  14          3HD1      ILE  14 -10.720   0.318  -0.026
   87   HD12  ILE  14          1HD1      ILE  14 -11.369   1.061   1.445
   88   HD13  ILE  14          2HD1      ILE  14 -10.628   2.085   0.184
   89    H    CYS  15           H        CYS  15  -6.173   3.718   2.414
   90    HA   CYS  15           HA       CYS  15  -6.653   5.831   4.452
   91    HB2  CYS  15           1HB      CYS  15  -5.446   4.709   6.095
   92    HB3  CYS  15           2HB      CYS  15  -6.726   3.649   5.506
   93    H    GLU  16           H        GLU  16  -5.053   5.276   1.737
   94    HA   GLU  16           HA       GLU  16  -3.462   6.379   0.626
   95    HB2  GLU  16           1HB      GLU  16  -4.722   8.197   2.130
   96    HB3  GLU  16           2HB      GLU  16  -3.095   8.430   2.765
   97    HG2  GLU  16           1HG      GLU  16  -2.298   8.711   0.358
   98    HG3  GLU  16           2HG      GLU  16  -3.977   8.566  -0.157
   99    H    ARG  17           H        ARG  17  -2.568   4.558   3.060
  100    HA   ARG  17           HA       ARG  17   0.257   5.111   3.362
  101    HB2  ARG  17           1HB      ARG  17  -1.600   2.823   3.897
  102    HB3  ARG  17           2HB      ARG  17   0.079   2.376   3.607
  103    HG2  ARG  17           1HG      ARG  17   0.910   3.770   5.350
  104    HG3  ARG  17           2HG      ARG  17  -0.661   4.552   5.600
  105    HD2  ARG  17           1HD      ARG  17  -0.306   1.551   5.932
  106    HD3  ARG  17           2HD      ARG  17   0.090   2.687   7.219
  107    HE   ARG  17           HE       ARG  17  -2.604   2.897   5.944
  108   HH11  ARG  17          2HH1      ARG  17  -0.907   1.990   8.885
  109   HH12  ARG  17          1HH1      ARG  17  -2.379   2.040   9.817
  110   HH21  ARG  17          2HH2      ARG  17  -4.335   2.901   7.092
  111   HH22  ARG  17          1HH2      ARG  17  -4.317   2.565   8.820
  112    H    LYS  18           H        LYS  18   2.017   3.989   2.457
  113    HA   LYS  18           HA       LYS  18   1.640   3.137  -0.371
  114    HB2  LYS  18           1HB      LYS  18   3.335   5.469   0.555
  115    HB3  LYS  18           2HB      LYS  18   3.536   4.678  -1.016
  116    HG2  LYS  18           1HG      LYS  18   1.379   5.246  -1.769
  117    HG3  LYS  18           2HG      LYS  18   0.852   5.833  -0.194
  118    HD2  LYS  18           1HD      LYS  18   3.102   7.091  -1.806
  119    HD3  LYS  18           2HD      LYS  18   1.425   7.634  -1.885
  120    HE2  LYS  18           1HE      LYS  18   3.004   7.483   0.718
  121    HE3  LYS  18           2HE      LYS  18   2.993   8.918  -0.312
  122    HZ1  LYS  18           3HZ      LYS  18   0.546   7.732   0.923
  123    HZ2  LYS  18           1HZ      LYS  18   0.590   9.064  -0.024
  124    HZ3  LYS  18           2HZ      LYS  18   1.313   9.079   1.433
  125    H    PHE  19           H        PHE  19   3.267   2.055  -1.347
  126    HA   PHE  19           HA       PHE  19   5.191   0.638   0.468
  127    HB2  PHE  19           1HB      PHE  19   3.199  -0.627  -1.426
  128    HB3  PHE  19           2HB      PHE  19   4.311  -1.489  -0.393
  129    HD1  PHE  19           1HD      PHE  19   4.031  -1.537   2.087
  130    HD2  PHE  19           2HD      PHE  19   1.150   0.389  -0.472
  131    HE1  PHE  19           1HE      PHE  19   2.454  -1.364   3.996
  132    HE2  PHE  19           2HE      PHE  19  -0.418   0.597   1.453
  133    HZ   PHE  19           HZ       PHE  19   0.245  -0.271   3.693
  134    H    LYS  20           H        LYS  20   6.720  -0.731  -0.549
  135    HA   LYS  20           HA       LYS  20   8.019   0.554  -2.792
  136    HB2  LYS  20           1HB      LYS  20   8.693  -1.969  -1.205
  137    HB3  LYS  20           2HB      LYS  20   9.748  -1.233  -2.417
  138    HG2  LYS  20           1HG      LYS  20   9.937   0.820  -1.079
  139    HG3  LYS  20           2HG      LYS  20   8.786   0.189   0.105
  140    HD2  LYS  20           1HD      LYS  20  11.009  -0.037   0.988
  141    HD3  LYS  20           2HD      LYS  20  10.338  -1.644   0.678
  142    HE2  LYS  20           1HE      LYS  20  11.635  -1.772  -1.444
  143    HE3  LYS  20           2HE      LYS  20  12.279  -0.151  -1.148
  144    HZ1  LYS  20           3HZ      LYS  20  12.732  -2.513   0.604
  145    HZ2  LYS  20           1HZ      LYS  20  13.337  -1.020   0.873
  146    HZ3  LYS  20           2HZ      LYS  20  13.832  -1.881  -0.422
  147    H    ASN  21           H        ASN  21   6.202  -2.463  -2.471
  148    HA   ASN  21           HA       ASN  21   6.294  -2.796  -5.429
  149    HB2  ASN  21           1HB      ASN  21   6.375  -5.292  -5.067
  150    HB3  ASN  21           2HB      ASN  21   7.860  -4.457  -4.689
  151   HD21  ASN  21          1HD2      ASN  21   8.634  -4.475  -2.547
  152   HD22  ASN  21          2HD2      ASN  21   7.703  -5.185  -1.216
  153    H    GLU  22           H        GLU  22   4.571  -4.072  -6.270
  154    HA   GLU  22           HA       GLU  22   2.017  -3.162  -5.449
  155    HB2  GLU  22           1HB      GLU  22   2.828  -3.974  -7.761
  156    HB3  GLU  22           2HB      GLU  22   2.580  -5.612  -7.171
  157    HG2  GLU  22           1HG      GLU  22   0.187  -5.111  -6.778
  158    HG3  GLU  22           2HG      GLU  22   0.440  -3.435  -7.259
  159    H    LEU  23           H        LEU  23   3.710  -6.209  -4.856
  160    HA   LEU  23           HA       LEU  23   1.652  -7.715  -3.626
  161    HB2  LEU  23           1HB      LEU  23   3.639  -8.775  -4.362
  162    HB3  LEU  23           2HB      LEU  23   4.687  -7.709  -3.430
  163    HG   LEU  23           HG       LEU  23   3.818  -8.736  -1.308
  164   HD11  LEU  23          1HD1      LEU  23   1.591  -9.496  -2.037
  165   HD12  LEU  23          2HD1      LEU  23   2.538 -10.852  -1.427
  166   HD13  LEU  23          3HD1      LEU  23   2.337 -10.635  -3.181
  167   HD21  LEU  23          3HD2      LEU  23   4.874 -10.744  -3.339
  168   HD22  LEU  23          1HD2      LEU  23   4.961 -10.889  -1.568
  169   HD23  LEU  23          2HD2      LEU  23   5.853  -9.600  -2.392
  170    H    ASP  24           H        ASP  24   4.131  -5.634  -2.023
  171    HA   ASP  24           HA       ASP  24   3.199  -6.020   0.604
  172    HB2  ASP  24           1HB      ASP  24   4.898  -3.900  -0.692
  173    HB3  ASP  24           2HB      ASP  24   4.389  -3.733   0.983
  174    H    ARG  25           H        ARG  25   2.080  -3.746  -1.807
  175    HA   ARG  25           HA       ARG  25   0.263  -2.336   0.040
  176    HB2  ARG  25           1HB      ARG  25   1.321  -1.327  -2.010
  177    HB3  ARG  25           2HB      ARG  25   0.350  -2.341  -3.007
  178    HG2  ARG  25           1HG      ARG  25  -0.837  -0.382  -0.953
  179    HG3  ARG  25           2HG      ARG  25  -0.383   0.103  -2.586
  180    HD2  ARG  25           1HD      ARG  25  -2.559  -1.817  -1.759
  181    HD3  ARG  25           2HD      ARG  25  -2.724  -0.261  -2.545
  182    HE   ARG  25           HE       ARG  25  -1.432  -2.663  -3.750
  183   HH11  ARG  25          2HH1      ARG  25  -2.911   0.446  -4.424
  184   HH12  ARG  25          1HH1      ARG  25  -3.280  -0.003  -6.072
  185   HH21  ARG  25          2HH2      ARG  25  -2.212  -3.268  -5.674
  186   HH22  ARG  25          1HH2      ARG  25  -2.788  -2.065  -6.822
  187    H    ASP  26           H        ASP  26  -0.062  -4.883  -2.445
  188    HA   ASP  26           HA       ASP  26  -2.882  -5.128  -2.280
  189    HB2  ASP  26           1HB      ASP  26  -0.652  -6.961  -3.205
  190    HB3  ASP  26           2HB      ASP  26  -2.301  -7.542  -3.104
  191    H    ARG  27           H        ARG  27  -0.324  -6.844  -0.400
  192    HA   ARG  27           HA       ARG  27  -2.269  -8.309   1.193
  193    HB2  ARG  27           1HB      ARG  27  -0.477  -9.023   2.565
  194    HB3  ARG  27           2HB      ARG  27  -0.025  -9.172   0.865
  195    HG2  ARG  27           1HG      ARG  27   1.363  -7.171   1.014
  196    HG3  ARG  27           2HG      ARG  27   0.823  -6.837   2.638
  197    HD2  ARG  27           1HD      ARG  27   1.830  -9.078   3.334
  198    HD3  ARG  27           2HD      ARG  27   2.458  -9.233   1.693
  199    HE   ARG  27           HE       ARG  27   4.016  -7.471   2.080
  200   HH11  ARG  27          2HH1      ARG  27   2.143  -7.959   5.026
  201   HH12  ARG  27          1HH1      ARG  27   3.282  -7.029   5.961
  202   HH21  ARG  27          2HH2      ARG  27   5.302  -6.365   3.232
  203   HH22  ARG  27          1HH2      ARG  27   5.086  -6.132   4.971
  204    H    HIS  28           H        HIS  28  -1.013  -5.049   1.504
  205    HA   HIS  28           HA       HIS  28  -2.014  -4.666   4.222
  206    HB2  HIS  28           1HB      HIS  28  -0.332  -3.174   3.538
  207    HB3  HIS  28           2HB      HIS  28  -1.092  -2.831   1.994
  208    HD1  HIS  28           1HD      HIS  28  -1.559  -1.967   5.710
  209    HD2  HIS  28           2HD      HIS  28  -2.989  -1.006   1.874
  210    HE1  HIS  28           1HE      HIS  28  -3.073   0.042   6.022
  211    H    MET  29           H        MET  29  -3.563  -4.308   0.951
  212    HA   MET  29           HA       MET  29  -5.926  -3.111   1.882
  213    HB2  MET  29           1HB      MET  29  -5.841  -5.226  -0.294
  214    HB3  MET  29           2HB      MET  29  -7.025  -3.942  -0.088
  215    HG2  MET  29           1HG      MET  29  -4.146  -3.703  -0.950
  216    HG3  MET  29           2HG      MET  29  -5.574  -3.317  -1.880
  217    HE1  MET  29           3HE      MET  29  -7.374  -1.447  -0.020
  218    HE2  MET  29           1HE      MET  29  -6.707   0.114  -0.553
  219    HE3  MET  29           2HE      MET  29  -6.941  -1.199  -1.726
  220    H    LEU  30           H        LEU  30  -4.896  -6.380   2.468
  221    HA   LEU  30           HA       LEU  30  -7.383  -7.615   3.142
  222    HB2  LEU  30           1HB      LEU  30  -4.638  -8.090   4.366
  223    HB3  LEU  30           2HB      LEU  30  -5.998  -9.192   4.396
  224    HG   LEU  30           HG       LEU  30  -4.460  -8.360   1.895
  225   HD11  LEU  30          1HD1      LEU  30  -4.514 -10.998   3.414
  226   HD12  LEU  30          2HD1      LEU  30  -3.180  -9.824   3.418
  227   HD13  LEU  30          3HD1      LEU  30  -3.613 -10.659   1.918
  228   HD21  LEU  30          3HD2      LEU  30  -6.776  -8.894   1.306
  229   HD22  LEU  30          1HD2      LEU  30  -6.678 -10.417   2.224
  230   HD23  LEU  30          2HD2      LEU  30  -5.683 -10.174   0.768
  231    H    VAL  31           H        VAL  31  -5.427  -5.278   4.959
  232    HA   VAL  31           HA       VAL  31  -6.687  -5.812   7.519
  233    HB   VAL  31           HB       VAL  31  -5.599  -4.015   8.414
  234   HG11  VAL  31          1HG1      VAL  31  -4.045  -5.758   7.652
  235   HG12  VAL  31          2HG1      VAL  31  -3.705  -4.799   6.195
  236   HG13  VAL  31          3HG1      VAL  31  -3.303  -4.153   7.792
  237   HG21  VAL  31          3HG2      VAL  31  -6.240  -2.124   7.181
  238   HG22  VAL  31          1HG2      VAL  31  -4.479  -2.171   7.129
  239   HG23  VAL  31          2HG2      VAL  31  -5.425  -2.676   5.714
  240    H    HIS  32           H        HIS  32  -7.617  -3.980   4.739
  241    HA   HIS  32           HA       HIS  32  -9.854  -2.603   6.103
  242    HB2  HIS  32           1HB      HIS  32  -9.067  -2.619   3.165
  243    HB3  HIS  32           2HB      HIS  32 -10.211  -1.536   3.954
  244    HD1  HIS  32           1HD      HIS  32  -8.629  -0.422   6.361
  245    HD2  HIS  32           2HD      HIS  32  -6.995  -1.179   2.560
  246    HE1  HIS  32           1HE      HIS  32  -6.560   1.032   6.206
  247    H    GLY  33           H        GLY  33  -9.343  -5.133   3.615
  248    HA2  GLY  33           1HA      GLY  33 -10.640  -6.917   2.946
  249    HA3  GLY  33           2HA      GLY  33 -11.157  -6.947   4.626
  250    H    ASP  34           H        ASP  34 -13.271  -7.261   4.649
  251    HA   ASP  34           HA       ASP  34 -15.078  -6.024   2.668
  252    HB2  ASP  34           1HB      ASP  34 -15.047  -8.498   3.225
  253    HB3  ASP  34           2HB      ASP  34 -15.721  -8.080   4.796
  254    H    LYS  35           H        LYS  35 -13.786  -4.528   4.945
  255    HA   LYS  35           HA       LYS  35 -14.050  -2.846   6.240
  256    HB2  LYS  35           1HB      LYS  35 -15.477  -2.245   4.192
  257    HB3  LYS  35           2HB      LYS  35 -16.878  -2.541   5.224
  258    HG2  LYS  35           1HG      LYS  35 -16.477  -0.234   5.271
  259    HG3  LYS  35           2HG      LYS  35 -15.932  -0.859   6.833
  260    HD2  LYS  35           1HD      LYS  35 -13.575  -0.708   6.086
  261    HD3  LYS  35           2HD      LYS  35 -14.117  -0.149   4.485
  262    HE2  LYS  35           1HE      LYS  35 -15.202   1.817   5.554
  263    HE3  LYS  35           2HE      LYS  35 -14.672   1.254   7.143
  264    HZ1  LYS  35           3HZ      LYS  35 -12.367   1.523   6.398
  265    HZ2  LYS  35           1HZ      LYS  35 -13.169   2.936   6.253
  266    HZ3  LYS  35           2HZ      LYS  35 -12.861   2.043   4.923
  267    H    TRP  36           H        TRP  36 -16.578  -5.212   6.857
  268    HA   TRP  36           HA       TRP  36 -17.051  -4.205   9.581
  269    HB2  TRP  36           1HB      TRP  36 -18.439  -6.143   9.900
  270    HB3  TRP  36           2HB      TRP  36 -18.862  -5.297   8.423
  271    HD1  TRP  36           1HD      TRP  36 -18.328  -6.502   6.119
  272    HE1  TRP  36           1HE      TRP  36 -18.040  -8.941   5.445
  273    HE3  TRP  36           3HE      TRP  36 -17.508  -8.486  10.768
  274    HZ2  TRP  36           2HZ      TRP  36 -17.549 -11.478   6.782
  275    HZ3  TRP  36           3HZ      TRP  36 -17.132 -10.928  11.038
  276    HH2  TRP  36           2HH      TRP  36 -17.146 -12.431   9.058
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  11.078  12.290  -6.428
    2    H2   GLY   1           2H       GLY   1  10.265  11.730  -5.118
    3    H3   GLY   1           3H       GLY   1  11.540  12.746  -4.924
    4    HA2  GLY   1           1HA      GLY   1   8.984  13.445  -6.235
    5    HA3  GLY   1           2HA      GLY   1   9.445  13.923  -4.592
    6    H    SER   2           H        SER   2   9.883  16.091  -4.642
    7    HA   SER   2           HA       SER   2  11.068  17.520  -6.829
    8    HB2  SER   2           1HB      SER   2  11.082  18.213  -3.865
    9    HB3  SER   2           2HB      SER   2  11.357  19.329  -5.217
   10    HG   SER   2           HG       SER   2   9.187  19.409  -4.457
   11    H    SER   3           H        SER   3  12.476  15.609  -4.277
   12    HA   SER   3           HA       SER   3  15.153  15.854  -5.517
   13    HB2  SER   3           1HB      SER   3  16.224  15.778  -3.308
   14    HB3  SER   3           2HB      SER   3  15.238  17.235  -3.503
   15    HG   SER   3           HG       SER   3  14.902  16.233  -1.463
   16    H    GLY   4           H        GLY   4  16.552  13.980  -4.857
   17    HA2  GLY   4           1HA      GLY   4  16.965  11.735  -4.478
   18    HA3  GLY   4           2HA      GLY   4  15.293  11.480  -3.998
   19    H    SER   5           H        SER   5  16.865   9.745  -5.596
   20    HA   SER   5           HA       SER   5  15.865   9.969  -8.378
   21    HB2  SER   5           1HB      SER   5  17.603   8.280  -8.849
   22    HB3  SER   5           2HB      SER   5  18.248   9.742  -8.085
   23    HG   SER   5           HG       SER   5  19.079   7.816  -7.129
   24    H    SER   6           H        SER   6  14.814   8.416  -5.605
   25    HA   SER   6           HA       SER   6  13.223   6.431  -7.112
   26    HB2  SER   6           1HB      SER   6  15.405   5.349  -6.394
   27    HB3  SER   6           2HB      SER   6  14.897   5.600  -4.714
   28    HG   SER   6           HG       SER   6  14.331   3.513  -5.577
   29    H    GLY   7           H        GLY   7  11.670   5.288  -5.537
   30    HA2  GLY   7           1HA      GLY   7  10.842   6.536  -3.096
   31    HA3  GLY   7           2HA      GLY   7   9.887   7.181  -4.434
   32    H    LEU   8           H        LEU   8   8.315   6.161  -2.818
   33    HA   LEU   8           HA       LEU   8   7.873   3.265  -3.076
   34    HB2  LEU   8           1HB      LEU   8   6.206   5.458  -1.790
   35    HB3  LEU   8           2HB      LEU   8   5.863   3.732  -1.698
   36    HG   LEU   8           HG       LEU   8   8.389   5.058  -0.600
   37   HD11  LEU   8          1HD1      LEU   8   6.350   5.736   0.612
   38   HD12  LEU   8          2HD1      LEU   8   7.400   4.704   1.600
   39   HD13  LEU   8          3HD1      LEU   8   5.936   4.026   0.861
   40   HD21  LEU   8          3HD2      LEU   8   7.318   2.227  -0.232
   41   HD22  LEU   8          1HD2      LEU   8   8.731   2.920   0.585
   42   HD23  LEU   8          2HD2      LEU   8   8.769   2.671  -1.160
   43    H    LEU   9           H        LEU   9   6.625   2.297  -4.478
   44    HA   LEU   9           HA       LEU   9   5.729   3.891  -6.786
   45    HB2  LEU   9           1HB      LEU   9   6.247   0.933  -6.341
   46    HB3  LEU   9           2HB      LEU   9   5.719   1.611  -7.872
   47    HG   LEU   9           HG       LEU   9   8.347   2.232  -6.445
   48   HD11  LEU   9          1HD1      LEU   9   7.757   0.633  -8.969
   49   HD12  LEU   9          2HD1      LEU   9   8.226  -0.039  -7.392
   50   HD13  LEU   9          3HD1      LEU   9   9.366   0.974  -8.292
   51   HD21  LEU   9          3HD2      LEU   9   7.682   4.186  -7.764
   52   HD22  LEU   9          1HD2      LEU   9   7.322   3.150  -9.167
   53   HD23  LEU   9          2HD2      LEU   9   8.992   3.337  -8.584
   54    H    TYR  10           H        TYR  10   4.205   1.885  -4.344
   55    HA   TYR  10           HA       TYR  10   1.600   2.005  -5.826
   56    HB2  TYR  10           1HB      TYR  10   2.567  -0.150  -3.916
   57    HB3  TYR  10           2HB      TYR  10   1.035  -0.112  -4.757
   58    HD1  TYR  10           1HD      TYR  10   4.696  -0.533  -5.194
   59    HD2  TYR  10           2HD      TYR  10   0.843  -0.627  -7.131
   60    HE1  TYR  10           1HE      TYR  10   5.744  -1.505  -7.247
   61    HE2  TYR  10           2HE      TYR  10   1.876  -1.643  -9.149
   62    HH   TYR  10           HH       TYR  10   3.824  -2.329 -10.155
   63    H    ASP  11           H        ASP  11  -0.330   2.272  -4.645
   64    HA   ASP  11           HA       ASP  11  -0.041   3.346  -1.885
   65    HB2  ASP  11           1HB      ASP  11  -1.257   5.304  -2.407
   66    HB3  ASP  11           2HB      ASP  11   0.089   5.190  -3.530
   67    H    CYS  12           H        CYS  12  -1.702   3.228  -0.540
   68    HA   CYS  12           HA       CYS  12  -3.978   1.433  -1.102
   69    HB2  CYS  12           1HB      CYS  12  -2.755   1.196   0.987
   70    HB3  CYS  12           2HB      CYS  12  -2.996   2.916   1.364
   71    H    HIS  13           H        HIS  13  -5.915   2.164  -1.700
   72    HA   HIS  13           HA       HIS  13  -6.465   5.070  -1.765
   73    HB2  HIS  13           1HB      HIS  13  -8.226   4.575  -3.298
   74    HB3  HIS  13           2HB      HIS  13  -6.728   3.830  -3.833
   75    HD1  HIS  13           1HD      HIS  13 -10.117   2.833  -2.261
   76    HD2  HIS  13           2HD      HIS  13  -6.833   1.242  -4.353
   77    HE1  HIS  13           1HE      HIS  13 -10.778   0.457  -2.931
   78    H    ILE  14           H        ILE  14  -6.739   3.008   0.640
   79    HA   ILE  14           HA       ILE  14  -9.468   3.866   1.533
   80    HB   ILE  14           HB       ILE  14  -7.751   1.732   2.754
   81   HG12  ILE  14          1HG1      ILE  14  -8.212   1.045   0.434
   82   HG13  ILE  14          2HG1      ILE  14  -8.994   0.037   1.632
   83   HG21  ILE  14          1HG2      ILE  14 -10.683   2.478   3.048
   84   HG22  ILE  14          2HG2      ILE  14  -9.979   0.977   3.675
   85   HG23  ILE  14          3HG2      ILE  14  -9.415   2.531   4.287
   86   HD11  ILE  14          3HD1      ILE  14 -11.155   1.047   1.190
   87   HD12  ILE  14          1HD1      ILE  14 -10.407   2.191   0.040
   88   HD13  ILE  14          2HD1      ILE  14 -10.416   0.441  -0.299
   89    H    CYS  15           H        CYS  15  -6.043   3.704   2.526
   90    HA   CYS  15           HA       CYS  15  -6.537   5.745   4.626
   91    HB2  CYS  15           1HB      CYS  15  -5.291   4.586   6.216
   92    HB3  CYS  15           2HB      CYS  15  -6.591   3.566   5.622
   93    H    GLU  16           H        GLU  16  -5.082   5.539   1.895
   94    HA   GLU  16           HA       GLU  16  -3.453   6.715   0.851
   95    HB2  GLU  16           1HB      GLU  16  -4.037   8.297   3.343
   96    HB3  GLU  16           2HB      GLU  16  -2.789   8.864   2.229
   97    HG2  GLU  16           1HG      GLU  16  -4.762   9.971   1.593
   98    HG3  GLU  16           2HG      GLU  16  -4.464   8.761   0.357
   99    H    ARG  17           H        ARG  17  -2.469   4.660   3.056
  100    HA   ARG  17           HA       ARG  17   0.367   5.282   3.320
  101    HB2  ARG  17           1HB      ARG  17  -1.431   2.920   3.801
  102    HB3  ARG  17           2HB      ARG  17   0.263   2.551   3.492
  103    HG2  ARG  17           1HG      ARG  17   1.043   3.893   5.293
  104    HG3  ARG  17           2HG      ARG  17  -0.549   4.616   5.570
  105    HD2  ARG  17           1HD      ARG  17  -0.139   1.613   5.788
  106    HD3  ARG  17           2HD      ARG  17   0.281   2.693   7.113
  107    HE   ARG  17           HE       ARG  17  -2.454   2.866   5.899
  108   HH11  ARG  17          2HH1      ARG  17  -0.634   2.118   8.816
  109   HH12  ARG  17          1HH1      ARG  17  -2.076   2.165   9.794
  110   HH21  ARG  17          2HH2      ARG  17  -4.144   2.865   7.110
  111   HH22  ARG  17          1HH2      ARG  17  -4.058   2.594   8.847
  112    H    LYS  18           H        LYS  18   2.103   4.140   2.369
  113    HA   LYS  18           HA       LYS  18   1.689   3.360  -0.476
  114    HB2  LYS  18           1HB      LYS  18   3.679   5.453   0.473
  115    HB3  LYS  18           2HB      LYS  18   3.582   4.760  -1.154
  116    HG2  LYS  18           1HG      LYS  18   1.267   5.621  -1.393
  117    HG3  LYS  18           2HG      LYS  18   1.416   6.438   0.167
  118    HD2  LYS  18           1HD      LYS  18   3.223   6.940  -2.238
  119    HD3  LYS  18           2HD      LYS  18   1.809   7.917  -1.805
  120    HE2  LYS  18           1HE      LYS  18   2.854   8.422   0.408
  121    HE3  LYS  18           2HE      LYS  18   4.293   7.513  -0.075
  122    HZ1  LYS  18           3HZ      LYS  18   3.264   9.941  -1.449
  123    HZ2  LYS  18           1HZ      LYS  18   4.588   9.100  -1.911
  124    HZ3  LYS  18           2HZ      LYS  18   4.575   9.888  -0.482
  125    H    PHE  19           H        PHE  19   3.272   2.125  -1.442
  126    HA   PHE  19           HA       PHE  19   5.141   0.686   0.401
  127    HB2  PHE  19           1HB      PHE  19   3.117  -0.473  -1.518
  128    HB3  PHE  19           2HB      PHE  19   4.231  -1.401  -0.542
  129    HD1  PHE  19           1HD      PHE  19   4.002  -1.612   1.881
  130    HD2  PHE  19           2HD      PHE  19   1.090   0.534  -0.444
  131    HE1  PHE  19           1HE      PHE  19   2.488  -1.604   3.821
  132    HE2  PHE  19           2HE      PHE  19  -0.405   0.655   1.552
  133    HZ   PHE  19           HZ       PHE  19   0.302  -0.395   3.700
  134    H    LYS  20           H        LYS  20   6.629  -0.712  -0.577
  135    HA   LYS  20           HA       LYS  20   7.982   0.519  -2.808
  136    HB2  LYS  20           1HB      LYS  20   8.977  -0.459  -0.676
  137    HB3  LYS  20           2HB      LYS  20   8.692  -2.067  -1.342
  138    HG2  LYS  20           1HG      LYS  20  10.147  -1.569  -3.258
  139    HG3  LYS  20           2HG      LYS  20  10.340   0.110  -2.702
  140    HD2  LYS  20           1HD      LYS  20  11.400  -0.761  -0.593
  141    HD3  LYS  20           2HD      LYS  20  11.306  -2.405  -1.268
  142    HE2  LYS  20           1HE      LYS  20  12.663  -1.643  -3.225
  143    HE3  LYS  20           2HE      LYS  20  12.758  -0.026  -2.515
  144    HZ1  LYS  20           3HZ      LYS  20  14.741  -1.336  -2.005
  145    HZ2  LYS  20           1HZ      LYS  20  13.859  -2.497  -1.276
  146    HZ3  LYS  20           2HZ      LYS  20  13.948  -1.002  -0.619
  147    H    ASN  21           H        ASN  21   6.340  -2.594  -2.378
  148    HA   ASN  21           HA       ASN  21   6.251  -2.890  -5.348
  149    HB2  ASN  21           1HB      ASN  21   6.314  -5.380  -5.026
  150    HB3  ASN  21           2HB      ASN  21   7.819  -4.563  -4.712
  151   HD21  ASN  21          1HD2      ASN  21   8.778  -4.790  -2.700
  152   HD22  ASN  21          2HD2      ASN  21   8.016  -5.679  -1.387
  153    H    GLU  22           H        GLU  22   4.511  -4.130  -6.152
  154    HA   GLU  22           HA       GLU  22   1.983  -3.188  -5.286
  155    HB2  GLU  22           1HB      GLU  22   2.743  -4.001  -7.615
  156    HB3  GLU  22           2HB      GLU  22   2.494  -5.637  -7.028
  157    HG2  GLU  22           1HG      GLU  22   0.110  -5.117  -6.587
  158    HG3  GLU  22           2HG      GLU  22   0.368  -3.446  -7.080
  159    H    LEU  23           H        LEU  23   3.639  -6.273  -4.775
  160    HA   LEU  23           HA       LEU  23   1.604  -7.759  -3.493
  161    HB2  LEU  23           1HB      LEU  23   3.576  -8.830  -4.288
  162    HB3  LEU  23           2HB      LEU  23   4.642  -7.777  -3.369
  163    HG   LEU  23           HG       LEU  23   3.825  -8.816  -1.241
  164   HD11  LEU  23          1HD1      LEU  23   2.523 -10.920  -1.341
  165   HD12  LEU  23          2HD1      LEU  23   2.278 -10.688  -3.087
  166   HD13  LEU  23          3HD1      LEU  23   1.572  -9.551  -1.915
  167   HD21  LEU  23          3HD2      LEU  23   4.807 -10.818  -3.314
  168   HD22  LEU  23          1HD2      LEU  23   4.941 -10.977  -1.547
  169   HD23  LEU  23          2HD2      LEU  23   5.823  -9.690  -2.386
  170    H    ASP  24           H        ASP  24   4.119  -5.643  -1.949
  171    HA   ASP  24           HA       ASP  24   3.264  -6.116   0.664
  172    HB2  ASP  24           1HB      ASP  24   5.432  -5.021  -0.182
  173    HB3  ASP  24           2HB      ASP  24   4.527  -3.509  -0.154
  174    H    ARG  25           H        ARG  25   2.080  -3.768  -1.650
  175    HA   ARG  25           HA       ARG  25   0.269  -2.373   0.206
  176    HB2  ARG  25           1HB      ARG  25   1.294  -1.375  -1.858
  177    HB3  ARG  25           2HB      ARG  25   0.327  -2.383  -2.847
  178    HG2  ARG  25           1HG      ARG  25  -0.852  -0.415  -0.802
  179    HG3  ARG  25           2HG      ARG  25  -0.407   0.052  -2.445
  180    HD2  ARG  25           1HD      ARG  25  -2.583  -1.838  -1.565
  181    HD3  ARG  25           2HD      ARG  25  -2.753  -0.298  -2.373
  182    HE   ARG  25           HE       ARG  25  -1.508  -2.728  -3.565
  183   HH11  ARG  25          2HH1      ARG  25  -2.947   0.395  -4.257
  184   HH12  ARG  25          1HH1      ARG  25  -3.372  -0.077  -5.885
  185   HH21  ARG  25          2HH2      ARG  25  -2.314  -3.342  -5.473
  186   HH22  ARG  25          1HH2      ARG  25  -2.914  -2.148  -6.620
  187    H    ASP  26           H        ASP  26  -0.080  -4.922  -2.274
  188    HA   ASP  26           HA       ASP  26  -2.890  -5.179  -2.064
  189    HB2  ASP  26           1HB      ASP  26  -0.662  -6.992  -3.025
  190    HB3  ASP  26           2HB      ASP  26  -2.295  -7.604  -2.889
  191    H    ARG  27           H        ARG  27  -0.300  -6.949  -0.256
  192    HA   ARG  27           HA       ARG  27  -2.208  -8.454   1.329
  193    HB2  ARG  27           1HB      ARG  27  -0.408  -9.146   2.704
  194    HB3  ARG  27           2HB      ARG  27   0.053  -9.272   1.006
  195    HG2  ARG  27           1HG      ARG  27   1.462  -7.322   1.167
  196    HG3  ARG  27           2HG      ARG  27   0.858  -6.912   2.762
  197    HD2  ARG  27           1HD      ARG  27   1.792  -9.072   3.630
  198    HD3  ARG  27           2HD      ARG  27   2.453  -9.406   2.015
  199    HE   ARG  27           HE       ARG  27   3.423  -6.851   2.804
  200   HH11  ARG  27          2HH1      ARG  27   3.866 -10.159   3.927
  201   HH12  ARG  27          1HH1      ARG  27   5.440  -9.789   4.576
  202   HH21  ARG  27          2HH2      ARG  27   5.308  -6.480   3.567
  203   HH22  ARG  27          1HH2      ARG  27   6.274  -7.710   4.393
  204    H    HIS  28           H        HIS  28  -1.039  -5.194   1.655
  205    HA   HIS  28           HA       HIS  28  -2.107  -4.826   4.368
  206    HB2  HIS  28           1HB      HIS  28  -0.348  -3.379   3.788
  207    HB3  HIS  28           2HB      HIS  28  -1.004  -3.016   2.203
  208    HD1  HIS  28           1HD      HIS  28  -1.547  -2.058   5.870
  209    HD2  HIS  28           2HD      HIS  28  -2.923  -1.188   1.991
  210    HE1  HIS  28           1HE      HIS  28  -3.028  -0.016   6.107
  211    H    MET  29           H        MET  29  -3.462  -4.331   1.025
  212    HA   MET  29           HA       MET  29  -5.839  -3.083   1.889
  213    HB2  MET  29           1HB      MET  29  -5.589  -4.995  -0.463
  214    HB3  MET  29           2HB      MET  29  -6.837  -3.779  -0.196
  215    HG2  MET  29           1HG      MET  29  -4.522  -2.262  -0.008
  216    HG3  MET  29           2HG      MET  29  -4.085  -3.482  -1.198
  217    HE1  MET  29           3HE      MET  29  -7.303  -0.204  -1.589
  218    HE2  MET  29           1HE      MET  29  -7.417  -1.473  -0.357
  219    HE3  MET  29           2HE      MET  29  -6.063  -0.318  -0.326
  220    H    LEU  30           H        LEU  30  -4.953  -6.408   2.321
  221    HA   LEU  30           HA       LEU  30  -7.490  -7.608   2.796
  222    HB2  LEU  30           1HB      LEU  30  -4.881  -8.148   4.268
  223    HB3  LEU  30           2HB      LEU  30  -6.245  -9.242   4.107
  224    HG   LEU  30           HG       LEU  30  -4.415  -8.332   1.846
  225   HD11  LEU  30          1HD1      LEU  30  -3.615 -10.652   1.866
  226   HD12  LEU  30          2HD1      LEU  30  -4.692 -11.031   3.228
  227   HD13  LEU  30          3HD1      LEU  30  -3.349  -9.888   3.441
  228   HD21  LEU  30          3HD2      LEU  30  -5.510 -10.027   0.470
  229   HD22  LEU  30          1HD2      LEU  30  -6.679  -8.810   0.988
  230   HD23  LEU  30          2HD2      LEU  30  -6.634 -10.404   1.791
  231    H    VAL  31           H        VAL  31  -5.592  -5.397   4.870
  232    HA   VAL  31           HA       VAL  31  -7.051  -5.982   7.291
  233    HB   VAL  31           HB       VAL  31  -5.967  -4.250   8.332
  234   HG11  VAL  31          1HG1      VAL  31  -3.958  -5.055   6.226
  235   HG12  VAL  31          2HG1      VAL  31  -3.642  -4.468   7.865
  236   HG13  VAL  31          3HG1      VAL  31  -4.440  -6.034   7.627
  237   HG21  VAL  31          3HG2      VAL  31  -4.675  -2.425   7.164
  238   HG22  VAL  31          1HG2      VAL  31  -5.585  -2.834   5.697
  239   HG23  VAL  31          2HG2      VAL  31  -6.432  -2.292   7.148
  240    H    HIS  32           H        HIS  32  -7.783  -4.020   4.556
  241    HA   HIS  32           HA       HIS  32 -10.020  -2.594   5.866
  242    HB2  HIS  32           1HB      HIS  32  -9.073  -2.527   2.985
  243    HB3  HIS  32           2HB      HIS  32 -10.205  -1.419   3.751
  244    HD1  HIS  32           1HD      HIS  32  -8.711  -0.440   6.273
  245    HD2  HIS  32           2HD      HIS  32  -6.927  -1.206   2.550
  246    HE1  HIS  32           1HE      HIS  32  -6.562   0.906   6.262
  247    H    GLY  33           H        GLY  33  -9.598  -5.625   4.558
  248    HA2  GLY  33           1HA      GLY  33 -11.276  -7.267   4.508
  249    HA3  GLY  33           2HA      GLY  33 -12.517  -6.041   4.263
  250    H    ASP  34           H        ASP  34  -9.946  -5.527   2.066
  251    HA   ASP  34           HA       ASP  34 -11.526  -6.521  -0.189
  252    HB2  ASP  34           1HB      ASP  34  -8.892  -5.039  -0.045
  253    HB3  ASP  34           2HB      ASP  34  -9.720  -5.467  -1.542
  254    H    LYS  35           H        LYS  35 -10.912  -8.618   1.326
  255    HA   LYS  35           HA       LYS  35  -8.587 -10.093   0.230
  256    HB2  LYS  35           1HB      LYS  35  -8.893 -11.611   2.079
  257    HB3  LYS  35           2HB      LYS  35  -8.904  -9.949   2.667
  258    HG2  LYS  35           1HG      LYS  35 -11.389 -10.013   2.815
  259    HG3  LYS  35           2HG      LYS  35 -11.377 -11.684   2.218
  260    HD2  LYS  35           1HD      LYS  35 -10.034 -12.369   4.208
  261    HD3  LYS  35           2HD      LYS  35 -10.018 -10.691   4.763
  262    HE2  LYS  35           1HE      LYS  35 -11.691 -11.802   6.032
  263    HE3  LYS  35           2HE      LYS  35 -12.522 -10.733   4.901
  264    HZ1  LYS  35           3HZ      LYS  35 -12.162 -13.666   4.530
  265    HZ2  LYS  35           1HZ      LYS  35 -12.969 -12.687   3.497
  266    HZ3  LYS  35           2HZ      LYS  35 -13.544 -12.945   5.000
  267    H    TRP  36           H        TRP  36 -11.719  -9.821  -0.763
  268    HA   TRP  36           HA       TRP  36 -11.818 -12.517  -1.998
  269    HB2  TRP  36           1HB      TRP  36 -14.152 -12.663  -1.436
  270    HB3  TRP  36           2HB      TRP  36 -13.189 -12.543   0.019
  271    HD1  TRP  36           1HD      TRP  36 -13.234 -10.035   1.233
  272    HE1  TRP  36           1HE      TRP  36 -15.158  -8.371   1.494
  273    HE3  TRP  36           3HE      TRP  36 -16.308 -11.782  -2.478
  274    HZ2  TRP  36           2HZ      TRP  36 -17.746  -7.900   0.299
  275    HZ3  TRP  36           3HZ      TRP  36 -18.516 -10.713  -2.876
  276    HH2  TRP  36           2HH      TRP  36 -19.245  -8.776  -1.500
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  17.084  10.488 -10.286
    2    H2   GLY   1           2H       GLY   1  18.222  11.540  -9.760
    3    H3   GLY   1           3H       GLY   1  16.836  12.101 -10.435
    4    HA2  GLY   1           1HA      GLY   1  16.758  12.374  -8.046
    5    HA3  GLY   1           2HA      GLY   1  15.514  11.250  -8.622
    6    H    SER   2           H        SER   2  16.708  11.429  -5.990
    7    HA   SER   2           HA       SER   2  17.504  10.238  -4.281
    8    HB2  SER   2           1HB      SER   2  15.973   8.493  -5.038
    9    HB3  SER   2           2HB      SER   2  17.261   7.774  -6.023
   10    HG   SER   2           HG       SER   2  16.973   6.822  -3.924
   11    H    SER   3           H        SER   3  19.305   9.341  -3.285
   12    HA   SER   3           HA       SER   3  21.883   9.583  -4.711
   13    HB2  SER   3           1HB      SER   3  21.280   8.882  -1.816
   14    HB3  SER   3           2HB      SER   3  22.879   9.219  -2.505
   15    HG   SER   3           HG       SER   3  21.971  11.067  -1.485
   16    H    GLY   4           H        GLY   4  19.616   7.100  -4.215
   17    HA2  GLY   4           1HA      GLY   4  20.589   5.120  -5.654
   18    HA3  GLY   4           2HA      GLY   4  21.607   4.879  -4.232
   19    H    SER   5           H        SER   5  19.021   5.822  -2.631
   20    HA   SER   5           HA       SER   5  18.049   3.118  -2.110
   21    HB2  SER   5           1HB      SER   5  18.405   4.845  -0.339
   22    HB3  SER   5           2HB      SER   5  17.021   5.746  -0.991
   23    HG   SER   5           HG       SER   5  16.466   4.306   0.747
   24    H    SER   6           H        SER   6  15.968   2.297  -2.433
   25    HA   SER   6           HA       SER   6  14.597   3.246  -4.817
   26    HB2  SER   6           1HB      SER   6  13.150   1.226  -4.403
   27    HB3  SER   6           2HB      SER   6  14.878   0.924  -4.644
   28    HG   SER   6           HG       SER   6  14.228  -0.285  -2.908
   29    H    GLY   7           H        GLY   7  12.634   4.151  -5.042
   30    HA2  GLY   7           1HA      GLY   7  11.422   5.530  -2.746
   31    HA3  GLY   7           2HA      GLY   7  10.991   5.700  -4.446
   32    H    LEU   8           H        LEU   8   9.008   5.755  -2.793
   33    HA   LEU   8           HA       LEU   8   7.654   3.124  -2.649
   34    HB2  LEU   8           1HB      LEU   8   6.655   5.918  -1.984
   35    HB3  LEU   8           2HB      LEU   8   5.789   4.411  -1.698
   36    HG   LEU   8           HG       LEU   8   8.426   5.191  -0.369
   37   HD11  LEU   8          1HD1      LEU   8   5.658   5.026   0.849
   38   HD12  LEU   8          2HD1      LEU   8   6.402   6.544   0.304
   39   HD13  LEU   8          3HD1      LEU   8   7.148   5.604   1.614
   40   HD21  LEU   8          3HD2      LEU   8   6.541   2.844   0.130
   41   HD22  LEU   8          1HD2      LEU   8   7.937   3.275   1.142
   42   HD23  LEU   8          2HD2      LEU   8   8.186   2.745  -0.527
   43    H    LEU   9           H        LEU   9   6.160   2.469  -4.030
   44    HA   LEU   9           HA       LEU   9   5.706   4.085  -6.522
   45    HB2  LEU   9           1HB      LEU   9   6.411   1.156  -6.123
   46    HB3  LEU   9           2HB      LEU   9   5.855   1.814  -7.652
   47    HG   LEU   9           HG       LEU   9   8.408   2.632  -6.188
   48   HD11  LEU   9          1HD1      LEU   9   9.555   1.458  -8.014
   49   HD12  LEU   9          2HD1      LEU   9   7.991   0.988  -8.718
   50   HD13  LEU   9          3HD1      LEU   9   8.488   0.357  -7.133
   51   HD21  LEU   9          3HD2      LEU   9   7.355   3.448  -8.934
   52   HD22  LEU   9          1HD2      LEU   9   8.993   3.776  -8.324
   53   HD23  LEU   9          2HD2      LEU   9   7.603   4.519  -7.534
   54    H    TYR  10           H        TYR  10   4.215   1.993  -4.164
   55    HA   TYR  10           HA       TYR  10   1.641   2.010  -5.697
   56    HB2  TYR  10           1HB      TYR  10   2.698  -0.115  -3.798
   57    HB3  TYR  10           2HB      TYR  10   1.158  -0.144  -4.624
   58    HD1  TYR  10           1HD      TYR  10   4.829  -0.375  -5.092
   59    HD2  TYR  10           2HD      TYR  10   0.972  -0.662  -7.000
   60    HE1  TYR  10           1HE      TYR  10   5.917  -1.263  -7.158
   61    HE2  TYR  10           2HE      TYR  10   2.050  -1.600  -9.041
   62    HH   TYR  10           HH       TYR  10   5.601  -2.051  -9.287
   63    H    ASP  11           H        ASP  11  -0.245   2.468  -4.638
   64    HA   ASP  11           HA       ASP  11  -0.047   3.416  -1.821
   65    HB2  ASP  11           1HB      ASP  11  -1.209   5.402  -2.351
   66    HB3  ASP  11           2HB      ASP  11   0.161   5.279  -3.447
   67    H    CYS  12           H        CYS  12  -1.732   3.276  -0.524
   68    HA   CYS  12           HA       CYS  12  -3.936   1.437  -1.136
   69    HB2  CYS  12           1HB      CYS  12  -2.781   1.322   0.991
   70    HB3  CYS  12           2HB      CYS  12  -3.109   3.036   1.310
   71    H    HIS  13           H        HIS  13  -5.867   2.042  -1.887
   72    HA   HIS  13           HA       HIS  13  -6.585   4.893  -2.061
   73    HB2  HIS  13           1HB      HIS  13  -8.363   4.193  -3.537
   74    HB3  HIS  13           2HB      HIS  13  -6.800   3.592  -4.057
   75    HD1  HIS  13           1HD      HIS  13  -6.674   1.001  -4.493
   76    HD2  HIS  13           2HD      HIS  13 -10.090   2.306  -2.412
   77    HE1  HIS  13           1HE      HIS  13  -8.236  -1.007  -4.358
   78    H    ILE  14           H        ILE  14  -6.856   2.831   0.434
   79    HA   ILE  14           HA       ILE  14  -9.565   3.782   1.294
   80    HB   ILE  14           HB       ILE  14  -7.856   1.694   2.613
   81   HG12  ILE  14          1HG1      ILE  14  -8.398   0.879   0.368
   82   HG13  ILE  14          2HG1      ILE  14  -9.185  -0.035   1.633
   83   HG21  ILE  14          1HG2      ILE  14 -10.766   2.509   2.952
   84   HG22  ILE  14          2HG2      ILE  14 -10.061   1.038   3.649
   85   HG23  ILE  14          3HG2      ILE  14  -9.460   2.619   4.148
   86   HD11  ILE  14          3HD1      ILE  14 -11.323   1.014   1.170
   87   HD12  ILE  14          1HD1      ILE  14 -10.565   2.071  -0.054
   88   HD13  ILE  14          2HD1      ILE  14 -10.629   0.308  -0.298
   89    H    CYS  15           H        CYS  15  -6.155   3.582   2.365
   90    HA   CYS  15           HA       CYS  15  -6.651   5.746   4.344
   91    HB2  CYS  15           1HB      CYS  15  -5.519   4.639   6.030
   92    HB3  CYS  15           2HB      CYS  15  -6.802   3.610   5.415
   93    H    GLU  16           H        GLU  16  -5.054   5.322   1.680
   94    HA   GLU  16           HA       GLU  16  -3.391   6.463   0.651
   95    HB2  GLU  16           1HB      GLU  16  -3.970   8.158   3.068
   96    HB3  GLU  16           2HB      GLU  16  -2.737   8.660   1.897
   97    HG2  GLU  16           1HG      GLU  16  -4.420   8.511   0.074
   98    HG3  GLU  16           2HG      GLU  16  -5.649   8.034   1.248
   99    H    ARG  17           H        ARG  17  -2.540   4.611   3.167
  100    HA   ARG  17           HA       ARG  17   0.277   5.076   3.485
  101    HB2  ARG  17           1HB      ARG  17  -1.656   2.841   3.961
  102    HB3  ARG  17           2HB      ARG  17   0.009   2.333   3.701
  103    HG2  ARG  17           1HG      ARG  17   0.850   3.683   5.481
  104    HG3  ARG  17           2HG      ARG  17  -0.704   4.503   5.712
  105    HD2  ARG  17           1HD      ARG  17  -0.436   1.486   6.006
  106    HD3  ARG  17           2HD      ARG  17  -0.042   2.587   7.321
  107    HE   ARG  17           HE       ARG  17  -2.706   2.834   5.976
  108   HH11  ARG  17          1HH1      ARG  17  -1.071   2.034   8.984
  109   HH12  ARG  17          2HH1      ARG  17  -2.563   2.121   9.881
  110   HH21  ARG  17          2HH2      ARG  17  -4.459   2.875   7.087
  111   HH22  ARG  17          1HH2      ARG  17  -4.478   2.609   8.827
  112    H    LYS  18           H        LYS  18   2.050   3.860   2.638
  113    HA   LYS  18           HA       LYS  18   1.731   3.106  -0.229
  114    HB2  LYS  18           1HB      LYS  18   3.502   5.334   0.832
  115    HB3  LYS  18           2HB      LYS  18   3.608   4.645  -0.809
  116    HG2  LYS  18           1HG      LYS  18   1.221   5.245  -1.173
  117    HG3  LYS  18           2HG      LYS  18   1.211   6.033   0.419
  118    HD2  LYS  18           1HD      LYS  18   2.962   7.600  -0.313
  119    HD3  LYS  18           2HD      LYS  18   3.035   6.771  -1.887
  120    HE2  LYS  18           1HE      LYS  18   1.652   8.677  -2.196
  121    HE3  LYS  18           2HE      LYS  18   0.635   7.224  -2.226
  122    HZ1  LYS  18           3HZ      LYS  18   0.929   9.078   0.092
  123    HZ2  LYS  18           1HZ      LYS  18  -0.002   7.734   0.114
  124    HZ3  LYS  18           2HZ      LYS  18  -0.381   8.987  -0.871
  125    H    PHE  19           H        PHE  19   3.336   2.086  -1.248
  126    HA   PHE  19           HA       PHE  19   5.321   0.617   0.455
  127    HB2  PHE  19           1HB      PHE  19   3.248  -0.647  -1.359
  128    HB3  PHE  19           2HB      PHE  19   4.412  -1.500  -0.373
  129    HD1  PHE  19           1HD      PHE  19   4.190  -1.567   2.126
  130    HD2  PHE  19           2HD      PHE  19   1.230   0.352  -0.347
  131    HE1  PHE  19           1HE      PHE  19   2.650  -1.441   4.067
  132    HE2  PHE  19           2HE      PHE  19  -0.302   0.510   1.608
  133    HZ   PHE  19           HZ       PHE  19   0.415  -0.380   3.824
  134    H    LYS  20           H        LYS  20   6.857  -0.682  -0.687
  135    HA   LYS  20           HA       LYS  20   7.881   0.652  -3.082
  136    HB2  LYS  20           1HB      LYS  20   8.943  -1.664  -1.398
  137    HB3  LYS  20           2HB      LYS  20   9.758  -0.997  -2.815
  138    HG2  LYS  20           1HG      LYS  20   9.610   1.291  -1.669
  139    HG3  LYS  20           2HG      LYS  20   9.152   0.417  -0.194
  140    HD2  LYS  20           1HD      LYS  20  11.299  -0.808  -0.247
  141    HD3  LYS  20           2HD      LYS  20  11.704  -0.039  -1.799
  142    HE2  LYS  20           1HE      LYS  20  11.498   2.209  -0.655
  143    HE3  LYS  20           2HE      LYS  20  11.345   1.360   0.890
  144    HZ1  LYS  20           3HZ      LYS  20  13.646   2.046   0.394
  145    HZ2  LYS  20           1HZ      LYS  20  13.656   1.153  -0.969
  146    HZ3  LYS  20           2HZ      LYS  20  13.560   0.410   0.490
  147    H    ASN  21           H        ASN  21   6.290  -2.458  -2.500
  148    HA   ASN  21           HA       ASN  21   6.283  -2.884  -5.457
  149    HB2  ASN  21           1HB      ASN  21   6.379  -5.350  -5.017
  150    HB3  ASN  21           2HB      ASN  21   7.864  -4.496  -4.664
  151   HD21  ASN  21          1HD2      ASN  21   8.571  -4.337  -2.490
  152   HD22  ASN  21          2HD2      ASN  21   7.687  -5.097  -1.155
  153    H    GLU  22           H        GLU  22   4.542  -4.087  -6.261
  154    HA   GLU  22           HA       GLU  22   2.009  -3.153  -5.407
  155    HB2  GLU  22           1HB      GLU  22   2.765  -3.968  -7.730
  156    HB3  GLU  22           2HB      GLU  22   2.537  -5.608  -7.137
  157    HG2  GLU  22           1HG      GLU  22   0.152  -5.128  -6.700
  158    HG3  GLU  22           2HG      GLU  22   0.383  -3.445  -7.172
  159    H    LEU  23           H        LEU  23   3.683  -6.206  -4.837
  160    HA   LEU  23           HA       LEU  23   1.643  -7.702  -3.569
  161    HB2  LEU  23           1HB      LEU  23   3.628  -8.755  -4.330
  162    HB3  LEU  23           2HB      LEU  23   4.682  -7.698  -3.390
  163    HG   LEU  23           HG       LEU  23   3.823  -8.739  -1.279
  164   HD11  LEU  23          1HD1      LEU  23   2.528 -10.847  -1.405
  165   HD12  LEU  23          2HD1      LEU  23   2.312 -10.611  -3.155
  166   HD13  LEU  23          3HD1      LEU  23   1.585  -9.477  -1.994
  167   HD21  LEU  23          3HD2      LEU  23   4.847 -10.741  -3.332
  168   HD22  LEU  23          1HD2      LEU  23   4.947 -10.901  -1.561
  169   HD23  LEU  23          2HD2      LEU  23   5.844  -9.613  -2.384
  170    H    ASP  24           H        ASP  24   4.152  -5.620  -2.008
  171    HA   ASP  24           HA       ASP  24   3.251  -5.986   0.624
  172    HB2  ASP  24           1HB      ASP  24   4.953  -3.899  -0.700
  173    HB3  ASP  24           2HB      ASP  24   4.432  -3.677   0.965
  174    H    ARG  25           H        ARG  25   2.087  -3.735  -1.772
  175    HA   ARG  25           HA       ARG  25   0.304  -2.309   0.105
  176    HB2  ARG  25           1HB      ARG  25   1.364  -1.292  -1.947
  177    HB3  ARG  25           2HB      ARG  25   0.374  -2.281  -2.944
  178    HG2  ARG  25           1HG      ARG  25  -0.761  -0.304  -0.876
  179    HG3  ARG  25           2HG      ARG  25  -0.325   0.163  -2.520
  180    HD2  ARG  25           1HD      ARG  25  -2.514  -1.711  -1.636
  181    HD3  ARG  25           2HD      ARG  25  -2.676  -0.172  -2.441
  182    HE   ARG  25           HE       ARG  25  -1.441  -2.604  -3.642
  183   HH11  ARG  25          2HH1      ARG  25  -2.864   0.530  -4.319
  184   HH12  ARG  25          1HH1      ARG  25  -3.259   0.078  -5.959
  185   HH21  ARG  25          2HH2      ARG  25  -2.238  -3.198  -5.566
  186   HH22  ARG  25          1HH2      ARG  25  -2.815  -1.987  -6.706
  187    H    ASP  26           H        ASP  26  -0.048  -4.842  -2.382
  188    HA   ASP  26           HA       ASP  26  -2.866  -5.059  -2.205
  189    HB2  ASP  26           1HB      ASP  26  -0.651  -6.902  -3.161
  190    HB3  ASP  26           2HB      ASP  26  -2.297  -7.485  -3.043
  191    H    ARG  27           H        ARG  27  -0.306  -6.835  -0.376
  192    HA   ARG  27           HA       ARG  27  -2.229  -8.339   1.195
  193    HB2  ARG  27           1HB      ARG  27  -0.429  -9.052   2.560
  194    HB3  ARG  27           2HB      ARG  27   0.032  -9.156   0.862
  195    HG2  ARG  27           1HG      ARG  27   1.389  -7.135   1.059
  196    HG3  ARG  27           2HG      ARG  27   0.832  -6.834   2.679
  197    HD2  ARG  27           1HD      ARG  27   1.873  -9.067   3.355
  198    HD3  ARG  27           2HD      ARG  27   2.506  -9.195   1.714
  199    HE   ARG  27           HE       ARG  27   4.043  -7.425   2.123
  200   HH11  ARG  27          2HH1      ARG  27   2.153  -7.939   5.054
  201   HH12  ARG  27          1HH1      ARG  27   3.275  -6.999   6.000
  202   HH21  ARG  27          2HH2      ARG  27   5.309  -6.309   3.288
  203   HH22  ARG  27          1HH2      ARG  27   5.077  -6.080   5.025
  204    H    HIS  28           H        HIS  28  -0.986  -5.081   1.574
  205    HA   HIS  28           HA       HIS  28  -2.082  -4.725   4.273
  206    HB2  HIS  28           1HB      HIS  28  -0.325  -3.264   3.691
  207    HB3  HIS  28           2HB      HIS  28  -0.992  -2.900   2.107
  208    HD1  HIS  28           1HD      HIS  28  -1.624  -2.027   5.795
  209    HD2  HIS  28           2HD      HIS  28  -2.895  -1.070   1.902
  210    HE1  HIS  28           1HE      HIS  28  -3.180  -0.043   6.047
  211    H    MET  29           H        MET  29  -3.407  -4.209   0.924
  212    HA   MET  29           HA       MET  29  -5.788  -2.969   1.768
  213    HB2  MET  29           1HB      MET  29  -5.504  -4.872  -0.587
  214    HB3  MET  29           2HB      MET  29  -6.774  -3.679  -0.333
  215    HG2  MET  29           1HG      MET  29  -4.430  -2.162  -0.099
  216    HG3  MET  29           2HG      MET  29  -4.043  -3.343  -1.339
  217    HE1  MET  29           3HE      MET  29  -7.181   0.011  -1.503
  218    HE2  MET  29           1HE      MET  29  -7.336  -1.337  -0.362
  219    HE3  MET  29           2HE      MET  29  -5.938  -0.241  -0.267
  220    H    LEU  30           H        LEU  30  -4.919  -6.308   2.195
  221    HA   LEU  30           HA       LEU  30  -7.476  -7.489   2.617
  222    HB2  LEU  30           1HB      LEU  30  -4.884  -8.090   4.094
  223    HB3  LEU  30           2HB      LEU  30  -6.266  -9.161   3.918
  224    HG   LEU  30           HG       LEU  30  -4.425  -8.253   1.667
  225   HD11  LEU  30          1HD1      LEU  30  -3.384  -9.840   3.248
  226   HD12  LEU  30          2HD1      LEU  30  -3.656 -10.582   1.663
  227   HD13  LEU  30          3HD1      LEU  30  -4.742 -10.963   3.018
  228   HD21  LEU  30          3HD2      LEU  30  -5.546  -9.954   0.295
  229   HD22  LEU  30          1HD2      LEU  30  -6.664  -8.671   0.772
  230   HD23  LEU  30          2HD2      LEU  30  -6.721 -10.246   1.602
  231    H    VAL  31           H        VAL  31  -5.579  -5.341   4.755
  232    HA   VAL  31           HA       VAL  31  -7.003  -6.005   7.167
  233    HB   VAL  31           HB       VAL  31  -5.971  -4.241   8.231
  234   HG11  VAL  31          1HG1      VAL  31  -4.398  -5.968   7.507
  235   HG12  VAL  31          2HG1      VAL  31  -3.961  -4.973   6.102
  236   HG13  VAL  31          3HG1      VAL  31  -3.647  -4.379   7.737
  237   HG21  VAL  31          3HG2      VAL  31  -4.756  -2.361   7.081
  238   HG22  VAL  31          1HG2      VAL  31  -5.633  -2.797   5.600
  239   HG23  VAL  31          2HG2      VAL  31  -6.515  -2.290   7.042
  240    H    HIS  32           H        HIS  32  -7.823  -3.966   4.489
  241    HA   HIS  32           HA       HIS  32  -9.990  -2.556   5.878
  242    HB2  HIS  32           1HB      HIS  32  -9.199  -2.592   2.944
  243    HB3  HIS  32           2HB      HIS  32 -10.318  -1.470   3.716
  244    HD1  HIS  32           1HD      HIS  32  -8.800  -0.412   6.160
  245    HD2  HIS  32           2HD      HIS  32  -7.023  -1.243   2.439
  246    HE1  HIS  32           1HE      HIS  32  -6.660   0.941   6.110
  247    H    GLY  33           H        GLY  33  -9.707  -5.626   4.426
  248    HA2  GLY  33           1HA      GLY  33 -12.564  -5.947   3.753
  249    HA3  GLY  33           2HA      GLY  33 -11.302  -7.180   3.725
  250    H    ASP  34           H        ASP  34 -10.758  -5.958   6.659
  251    HA   ASP  34           HA       ASP  34 -12.048  -8.180   7.984
  252    HB2  ASP  34           1HB      ASP  34  -9.665  -7.403   8.246
  253    HB3  ASP  34           2HB      ASP  34 -10.278  -6.005   9.131
  254    H    LYS  35           H        LYS  35 -13.960  -6.280   7.113
  255    HA   LYS  35           HA       LYS  35 -14.912  -4.635   9.348
  256    HB2  LYS  35           1HB      LYS  35 -16.158  -5.315   6.648
  257    HB3  LYS  35           2HB      LYS  35 -16.794  -4.129   7.793
  258    HG2  LYS  35           1HG      LYS  35 -14.696  -2.813   7.619
  259    HG3  LYS  35           2HG      LYS  35 -14.074  -3.972   6.427
  260    HD2  LYS  35           1HD      LYS  35 -15.983  -3.463   4.926
  261    HD3  LYS  35           2HD      LYS  35 -16.610  -2.302   6.117
  262    HE2  LYS  35           1HE      LYS  35 -14.506  -0.988   5.932
  263    HE3  LYS  35           2HE      LYS  35 -13.891  -2.140   4.740
  264    HZ1  LYS  35           3HZ      LYS  35 -16.319  -0.461   4.384
  265    HZ2  LYS  35           1HZ      LYS  35 -15.749  -1.527   3.285
  266    HZ3  LYS  35           2HZ      LYS  35 -14.879  -0.201   3.663
  267    H    TRP  36           H        TRP  36 -15.406  -7.900   8.506
  268    HA   TRP  36           HA       TRP  36 -18.103  -8.179   9.642
  269    HB2  TRP  36           1HB      TRP  36 -17.808 -10.554   8.960
  270    HB3  TRP  36           2HB      TRP  36 -17.702  -9.384   7.659
  271    HD1  TRP  36           1HD      TRP  36 -15.396  -9.080   6.421
  272    HE1  TRP  36           1HE      TRP  36 -13.288 -10.519   6.237
  273    HE3  TRP  36           3HE      TRP  36 -16.270 -12.289  10.325
  274    HZ2  TRP  36           2HZ      TRP  36 -12.142 -12.807   7.578
  275    HZ3  TRP  36           3HZ      TRP  36 -14.653 -14.110  10.831
  276    HH2  TRP  36           2HH      TRP  36 -12.591 -14.378   9.469
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  14.540   2.042 -12.199
    2    H2   GLY   1           2H       GLY   1  15.132   1.396 -13.583
    3    H3   GLY   1           3H       GLY   1  14.063   2.635 -13.651
    4    HA2  GLY   1           1HA      GLY   1  16.284   3.436 -14.125
    5    HA3  GLY   1           2HA      GLY   1  15.625   4.150 -12.642
    6    H    SER   2           H        SER   2  18.461   3.453 -13.646
    7    HA   SER   2           HA       SER   2  19.431   1.402 -11.816
    8    HB2  SER   2           1HB      SER   2  21.621   1.934 -12.854
    9    HB3  SER   2           2HB      SER   2  20.351   1.551 -14.028
   10    HG   SER   2           HG       SER   2  21.574   3.417 -14.624
   11    H    SER   3           H        SER   3  18.867   4.737 -11.360
   12    HA   SER   3           HA       SER   3  21.116   5.566  -9.905
   13    HB2  SER   3           1HB      SER   3  18.249   6.509  -9.543
   14    HB3  SER   3           2HB      SER   3  19.726   7.406  -9.140
   15    HG   SER   3           HG       SER   3  18.869   8.037 -11.174
   16    H    GLY   4           H        GLY   4  18.407   3.636  -8.721
   17    HA2  GLY   4           1HA      GLY   4  19.557   2.515  -6.532
   18    HA3  GLY   4           2HA      GLY   4  19.015   4.056  -5.871
   19    H    SER   5           H        SER   5  18.058   1.892  -4.713
   20    HA   SER   5           HA       SER   5  15.445   1.096  -5.804
   21    HB2  SER   5           1HB      SER   5  16.801   0.298  -3.208
   22    HB3  SER   5           2HB      SER   5  15.378  -0.467  -3.941
   23    HG   SER   5           HG       SER   5  17.326  -1.596  -4.423
   24    H    SER   6           H        SER   6  16.203   3.871  -4.382
   25    HA   SER   6           HA       SER   6  14.549   4.124  -2.090
   26    HB2  SER   6           1HB      SER   6  15.476   6.298  -4.002
   27    HB3  SER   6           2HB      SER   6  14.984   6.517  -2.316
   28    HG   SER   6           HG       SER   6  16.784   5.298  -1.667
   29    H    GLY   7           H        GLY   7  12.716   5.526  -1.771
   30    HA2  GLY   7           1HA      GLY   7  10.753   6.677  -2.389
   31    HA3  GLY   7           2HA      GLY   7  10.910   6.120  -4.049
   32    H    LEU   8           H        LEU   8   8.535   6.122  -3.144
   33    HA   LEU   8           HA       LEU   8   7.790   3.266  -2.692
   34    HB2  LEU   8           1HB      LEU   8   6.262   5.733  -1.789
   35    HB3  LEU   8           2HB      LEU   8   5.736   4.059  -1.609
   36    HG   LEU   8           HG       LEU   8   8.204   5.257  -0.268
   37   HD11  LEU   8          1HD1      LEU   8   6.943   5.311   1.758
   38   HD12  LEU   8          2HD1      LEU   8   5.570   4.481   1.010
   39   HD13  LEU   8          3HD1      LEU   8   5.970   6.149   0.531
   40   HD21  LEU   8          3HD2      LEU   8   8.135   3.198   1.117
   41   HD22  LEU   8          1HD2      LEU   8   8.410   2.815  -0.588
   42   HD23  LEU   8          2HD2      LEU   8   6.802   2.574   0.123
   43    H    LEU   9           H        LEU   9   6.407   2.427  -4.060
   44    HA   LEU   9           HA       LEU   9   5.793   3.993  -6.542
   45    HB2  LEU   9           1HB      LEU   9   6.461   1.073  -6.045
   46    HB3  LEU   9           2HB      LEU   9   5.943   1.706  -7.599
   47    HG   LEU   9           HG       LEU   9   8.484   2.492  -6.097
   48   HD11  LEU   9          1HD1      LEU   9   9.634   1.297  -7.908
   49   HD12  LEU   9          2HD1      LEU   9   8.072   0.864  -8.639
   50   HD13  LEU   9          3HD1      LEU   9   8.528   0.217  -7.049
   51   HD21  LEU   9          3HD2      LEU   9   7.750   4.401  -7.444
   52   HD22  LEU   9          1HD2      LEU   9   7.487   3.344  -8.852
   53   HD23  LEU   9          2HD2      LEU   9   9.127   3.626  -8.225
   54    H    TYR  10           H        TYR  10   4.258   1.967  -4.139
   55    HA   TYR  10           HA       TYR  10   1.702   2.004  -5.706
   56    HB2  TYR  10           1HB      TYR  10   2.708  -0.141  -3.806
   57    HB3  TYR  10           2HB      TYR  10   1.186  -0.149  -4.668
   58    HD1  TYR  10           1HD      TYR  10   4.861  -0.435  -5.042
   59    HD2  TYR  10           2HD      TYR  10   1.054  -0.627  -7.062
   60    HE1  TYR  10           1HE      TYR  10   5.986  -1.324  -7.095
   61    HE2  TYR  10           2HE      TYR  10   2.166  -1.560  -9.079
   62    HH   TYR  10           HH       TYR  10   4.154  -2.166 -10.055
   63    H    ASP  11           H        ASP  11  -0.212   2.414  -4.658
   64    HA   ASP  11           HA       ASP  11  -0.045   3.395  -1.852
   65    HB2  ASP  11           1HB      ASP  11  -1.205   5.376  -2.421
   66    HB3  ASP  11           2HB      ASP  11   0.183   5.241  -3.492
   67    H    CYS  12           H        CYS  12  -1.755   3.317  -0.584
   68    HA   CYS  12           HA       CYS  12  -3.948   1.450  -1.154
   69    HB2  CYS  12           1HB      CYS  12  -2.779   1.370   0.962
   70    HB3  CYS  12           2HB      CYS  12  -3.096   3.090   1.255
   71    H    HIS  13           H        HIS  13  -5.961   2.006  -1.726
   72    HA   HIS  13           HA       HIS  13  -6.681   4.858  -2.019
   73    HB2  HIS  13           1HB      HIS  13  -8.486   4.101  -3.426
   74    HB3  HIS  13           2HB      HIS  13  -6.940   3.471  -3.961
   75    HD1  HIS  13           1HD      HIS  13  -6.856   0.877  -4.329
   76    HD2  HIS  13           2HD      HIS  13 -10.165   2.258  -2.128
   77    HE1  HIS  13           1HE      HIS  13  -8.419  -1.120  -4.056
   78    H    ILE  14           H        ILE  14  -6.895   2.814   0.528
   79    HA   ILE  14           HA       ILE  14  -9.578   3.791   1.439
   80    HB   ILE  14           HB       ILE  14  -7.822   1.720   2.726
   81   HG12  ILE  14          1HG1      ILE  14  -8.494   0.870   0.530
   82   HG13  ILE  14          2HG1      ILE  14  -9.219  -0.015   1.849
   83   HG21  ILE  14          1HG2      ILE  14 -10.702   2.564   3.214
   84   HG22  ILE  14          2HG2      ILE  14  -9.974   1.094   3.888
   85   HG23  ILE  14          3HG2      ILE  14  -9.332   2.673   4.336
   86   HD11  ILE  14          3HD1      ILE  14 -10.760   0.315  -0.003
   87   HD12  ILE  14          1HD1      ILE  14 -11.368   1.053   1.488
   88   HD13  ILE  14          2HD1      ILE  14 -10.665   2.081   0.208
   89    H    CYS  15           H        CYS  15  -6.152   3.604   2.438
   90    HA   CYS  15           HA       CYS  15  -6.605   5.794   4.403
   91    HB2  CYS  15           1HB      CYS  15  -5.359   4.728   6.043
   92    HB3  CYS  15           2HB      CYS  15  -6.647   3.670   5.502
   93    H    GLU  16           H        GLU  16  -5.091   5.342   1.669
   94    HA   GLU  16           HA       GLU  16  -3.468   6.482   0.567
   95    HB2  GLU  16           1HB      GLU  16  -4.024   8.236   2.948
   96    HB3  GLU  16           2HB      GLU  16  -2.819   8.722   1.739
   97    HG2  GLU  16           1HG      GLU  16  -4.537   8.501  -0.045
   98    HG3  GLU  16           2HG      GLU  16  -5.736   8.040   1.165
   99    H    ARG  17           H        ARG  17  -2.565   4.690   3.098
  100    HA   ARG  17           HA       ARG  17   0.251   5.222   3.365
  101    HB2  ARG  17           1HB      ARG  17  -1.436   2.710   3.707
  102    HB3  ARG  17           2HB      ARG  17   0.313   2.711   3.965
  103    HG2  ARG  17           1HG      ARG  17   0.125   4.462   5.676
  104    HG3  ARG  17           2HG      ARG  17  -1.626   4.539   5.415
  105    HD2  ARG  17           1HD      ARG  17  -1.789   2.129   6.042
  106    HD3  ARG  17           2HD      ARG  17  -0.057   2.096   6.342
  107    HE   ARG  17           HE       ARG  17  -0.328   3.213   8.347
  108   HH11  ARG  17          2HH1      ARG  17  -3.482   3.405   6.714
  109   HH12  ARG  17          1HH1      ARG  17  -4.236   3.971   8.175
  110   HH21  ARG  17          2HH2      ARG  17  -1.413   3.962  10.105
  111   HH22  ARG  17          1HH2      ARG  17  -3.116   4.294  10.010
  112    H    LYS  18           H        LYS  18   1.947   3.809   2.639
  113    HA   LYS  18           HA       LYS  18   1.704   3.090  -0.246
  114    HB2  LYS  18           1HB      LYS  18   3.500   5.299   0.817
  115    HB3  LYS  18           2HB      LYS  18   3.603   4.600  -0.817
  116    HG2  LYS  18           1HG      LYS  18   1.223   5.239  -1.194
  117    HG3  LYS  18           2HG      LYS  18   1.232   6.056   0.385
  118    HD2  LYS  18           1HD      LYS  18   3.008   7.575  -0.370
  119    HD3  LYS  18           2HD      LYS  18   3.076   6.714  -1.928
  120    HE2  LYS  18           1HE      LYS  18   1.730   8.647  -2.272
  121    HE3  LYS  18           2HE      LYS  18   0.693   7.209  -2.303
  122    HZ1  LYS  18           3HZ      LYS  18   0.021   7.753   0.015
  123    HZ2  LYS  18           1HZ      LYS  18  -0.311   9.007  -0.981
  124    HZ3  LYS  18           2HZ      LYS  18   0.982   9.075   0.005
  125    H    PHE  19           H        PHE  19   3.332   2.060  -1.242
  126    HA   PHE  19           HA       PHE  19   5.247   0.559   0.513
  127    HB2  PHE  19           1HB      PHE  19   3.248  -0.668  -1.407
  128    HB3  PHE  19           2HB      PHE  19   4.355  -1.539  -0.371
  129    HD1  PHE  19           1HD      PHE  19   4.020  -1.640   2.098
  130    HD2  PHE  19           2HD      PHE  19   1.206   0.377  -0.468
  131    HE1  PHE  19           1HE      PHE  19   2.414  -1.476   3.986
  132    HE2  PHE  19           2HE      PHE  19  -0.384   0.580   1.436
  133    HZ   PHE  19           HZ       PHE  19   0.229  -0.341   3.664
  134    H    LYS  20           H        LYS  20   6.794  -0.754  -0.554
  135    HA   LYS  20           HA       LYS  20   7.999   0.560  -2.861
  136    HB2  LYS  20           1HB      LYS  20   8.833  -1.847  -1.179
  137    HB3  LYS  20           2HB      LYS  20   9.785  -1.191  -2.514
  138    HG2  LYS  20           1HG      LYS  20   9.865   1.020  -1.362
  139    HG3  LYS  20           2HG      LYS  20   9.009   0.305   0.021
  140    HD2  LYS  20           1HD      LYS  20  10.882  -1.310   0.335
  141    HD3  LYS  20           2HD      LYS  20  11.689  -0.642  -1.088
  142    HE2  LYS  20           1HE      LYS  20  12.773   0.322   0.783
  143    HE3  LYS  20           2HE      LYS  20  11.794   1.594   0.048
  144    HZ1  LYS  20           3HZ      LYS  20  10.130   1.214   1.806
  145    HZ2  LYS  20           1HZ      LYS  20  11.577   1.554   2.475
  146    HZ3  LYS  20           2HZ      LYS  20  11.035   0.018   2.459
  147    H    ASN  21           H        ASN  21   6.267  -2.512  -2.414
  148    HA   ASN  21           HA       ASN  21   6.372  -2.896  -5.371
  149    HB2  ASN  21           1HB      ASN  21   6.455  -5.367  -4.975
  150    HB3  ASN  21           2HB      ASN  21   7.926  -4.531  -4.544
  151   HD21  ASN  21          1HD2      ASN  21   8.564  -4.455  -2.344
  152   HD22  ASN  21          2HD2      ASN  21   7.612  -5.232  -1.063
  153    H    GLU  22           H        GLU  22   4.657  -4.108  -6.240
  154    HA   GLU  22           HA       GLU  22   2.099  -3.175  -5.457
  155    HB2  GLU  22           1HB      GLU  22   2.916  -3.972  -7.761
  156    HB3  GLU  22           2HB      GLU  22   2.678  -5.618  -7.187
  157    HG2  GLU  22           1HG      GLU  22   0.279  -5.146  -6.808
  158    HG3  GLU  22           2HG      GLU  22   0.517  -3.462  -7.272
  159    H    LEU  23           H        LEU  23   3.743  -6.240  -4.864
  160    HA   LEU  23           HA       LEU  23   1.658  -7.740  -3.677
  161    HB2  LEU  23           1HB      LEU  23   3.666  -8.783  -4.421
  162    HB3  LEU  23           2HB      LEU  23   4.693  -7.758  -3.424
  163    HG   LEU  23           HG       LEU  23   3.761  -8.856  -1.366
  164   HD11  LEU  23          1HD1      LEU  23   2.334 -10.679  -3.355
  165   HD12  LEU  23          2HD1      LEU  23   1.554  -9.580  -2.195
  166   HD13  LEU  23          3HD1      LEU  23   2.479 -10.964  -1.606
  167   HD21  LEU  23          3HD2      LEU  23   5.825  -9.688  -2.423
  168   HD22  LEU  23          1HD2      LEU  23   4.871 -10.790  -3.441
  169   HD23  LEU  23          2HD2      LEU  23   4.906 -11.003  -1.675
  170    H    ASP  24           H        ASP  24   4.116  -5.661  -2.035
  171    HA   ASP  24           HA       ASP  24   3.138  -6.077   0.571
  172    HB2  ASP  24           1HB      ASP  24   4.928  -4.021  -0.679
  173    HB3  ASP  24           2HB      ASP  24   4.310  -3.736   0.944
  174    H    ARG  25           H        ARG  25   2.127  -3.703  -1.808
  175    HA   ARG  25           HA       ARG  25   0.275  -2.335   0.022
  176    HB2  ARG  25           1HB      ARG  25   1.356  -1.308  -2.007
  177    HB3  ARG  25           2HB      ARG  25   0.394  -2.302  -3.026
  178    HG2  ARG  25           1HG      ARG  25  -0.798  -0.352  -0.964
  179    HG3  ARG  25           2HG      ARG  25  -0.342   0.132  -2.598
  180    HD2  ARG  25           1HD      ARG  25  -2.514  -1.793  -1.773
  181    HD3  ARG  25           2HD      ARG  25  -2.689  -0.234  -2.552
  182    HE   ARG  25           HE       ARG  25  -1.399  -2.633  -3.768
  183   HH11  ARG  25          2HH1      ARG  25  -2.828   0.498  -4.424
  184   HH12  ARG  25          1HH1      ARG  25  -3.198   0.069  -6.077
  185   HH21  ARG  25          2HH2      ARG  25  -2.171  -3.215  -5.705
  186   HH22  ARG  25          1HH2      ARG  25  -2.731  -1.994  -6.844
  187    H    ASP  26           H        ASP  26  -0.042  -4.843  -2.505
  188    HA   ASP  26           HA       ASP  26  -2.848  -5.102  -2.349
  189    HB2  ASP  26           1HB      ASP  26  -0.606  -6.912  -3.277
  190    HB3  ASP  26           2HB      ASP  26  -2.238  -7.527  -3.166
  191    H    ARG  27           H        ARG  27  -0.318  -6.863  -0.450
  192    HA   ARG  27           HA       ARG  27  -2.330  -8.309   1.083
  193    HB2  ARG  27           1HB      ARG  27  -0.618  -9.095   2.494
  194    HB3  ARG  27           2HB      ARG  27  -0.149  -9.280   0.806
  195    HG2  ARG  27           1HG      ARG  27   1.456  -7.520   0.957
  196    HG3  ARG  27           2HG      ARG  27   0.835  -6.949   2.502
  197    HD2  ARG  27           1HD      ARG  27   1.511  -9.077   3.565
  198    HD3  ARG  27           2HD      ARG  27   2.085  -9.695   2.006
  199    HE   ARG  27           HE       ARG  27   3.628  -7.468   2.248
  200   HH11  ARG  27          2HH1      ARG  27   3.065 -10.036   4.590
  201   HH12  ARG  27          1HH1      ARG  27   4.648  -9.828   5.286
  202   HH21  ARG  27          2HH2      ARG  27   5.527  -7.301   3.100
  203   HH22  ARG  27          1HH2      ARG  27   6.044  -8.288   4.470
  204    H    HIS  28           H        HIS  28  -1.006  -5.105   1.461
  205    HA   HIS  28           HA       HIS  28  -2.059  -4.732   4.161
  206    HB2  HIS  28           1HB      HIS  28  -0.337  -3.258   3.531
  207    HB3  HIS  28           2HB      HIS  28  -1.067  -2.877   1.979
  208    HD1  HIS  28           1HD      HIS  28  -1.586  -2.073   5.704
  209    HD2  HIS  28           2HD      HIS  28  -2.925  -1.013   1.861
  210    HE1  HIS  28           1HE      HIS  28  -3.065  -0.037   6.026
  211    H    MET  29           H        MET  29  -3.521  -4.258   0.856
  212    HA   MET  29           HA       MET  29  -5.874  -3.031   1.751
  213    HB2  MET  29           1HB      MET  29  -5.763  -5.108  -0.466
  214    HB3  MET  29           2HB      MET  29  -6.959  -3.838  -0.251
  215    HG2  MET  29           1HG      MET  29  -4.076  -3.563  -1.068
  216    HG3  MET  29           2HG      MET  29  -5.498  -3.146  -1.995
  217    HE1  MET  29           3HE      MET  29  -6.654   0.227  -0.540
  218    HE2  MET  29           1HE      MET  29  -6.884  -1.045  -1.759
  219    HE3  MET  29           2HE      MET  29  -7.307  -1.359  -0.060
  220    H    LEU  30           H        LEU  30  -4.964  -6.355   2.259
  221    HA   LEU  30           HA       LEU  30  -7.495  -7.529   2.833
  222    HB2  LEU  30           1HB      LEU  30  -4.807  -8.113   4.133
  223    HB3  LEU  30           2HB      LEU  30  -6.196  -9.178   4.085
  224    HG   LEU  30           HG       LEU  30  -4.547  -8.311   1.669
  225   HD11  LEU  30          1HD1      LEU  30  -3.778 -10.636   1.637
  226   HD12  LEU  30          2HD1      LEU  30  -4.746 -10.997   3.086
  227   HD13  LEU  30          3HD1      LEU  30  -3.375  -9.869   3.183
  228   HD21  LEU  30          3HD2      LEU  30  -6.851 -10.291   1.842
  229   HD22  LEU  30          1HD2      LEU  30  -5.793 -10.044   0.432
  230   HD23  LEU  30          2HD2      LEU  30  -6.854  -8.739   0.972
  231    H    VAL  31           H        VAL  31  -5.525  -5.312   4.797
  232    HA   VAL  31           HA       VAL  31  -6.845  -5.908   7.303
  233    HB   VAL  31           HB       VAL  31  -5.756  -4.140   8.268
  234   HG11  VAL  31          1HG1      VAL  31  -3.834  -4.920   6.072
  235   HG12  VAL  31          2HG1      VAL  31  -3.448  -4.308   7.685
  236   HG13  VAL  31          3HG1      VAL  31  -4.218  -5.895   7.505
  237   HG21  VAL  31          3HG2      VAL  31  -5.519  -2.749   5.602
  238   HG22  VAL  31          1HG2      VAL  31  -6.328  -2.210   7.076
  239   HG23  VAL  31          2HG2      VAL  31  -4.569  -2.296   7.031
  240    H    HIS  32           H        HIS  32  -7.774  -4.036   4.579
  241    HA   HIS  32           HA       HIS  32  -9.904  -2.555   5.995
  242    HB2  HIS  32           1HB      HIS  32  -9.097  -2.546   3.064
  243    HB3  HIS  32           2HB      HIS  32 -10.197  -1.422   3.857
  244    HD1  HIS  32           1HD      HIS  32  -8.625  -0.406   6.298
  245    HD2  HIS  32           2HD      HIS  32  -6.964  -1.167   2.510
  246    HE1  HIS  32           1HE      HIS  32  -6.520   1.001   6.183
  247    H    GLY  33           H        GLY  33  -9.622  -5.586   4.426
  248    HA2  GLY  33           1HA      GLY  33 -12.355  -5.825   3.419
  249    HA3  GLY  33           2HA      GLY  33 -11.173  -7.119   3.608
  250    H    ASP  34           H        ASP  34 -14.011  -7.154   4.291
  251    HA   ASP  34           HA       ASP  34 -14.087  -7.237   7.244
  252    HB2  ASP  34           1HB      ASP  34 -16.442  -7.335   7.049
  253    HB3  ASP  34           2HB      ASP  34 -15.841  -6.027   6.036
  254    H    LYS  35           H        LYS  35 -14.902  -9.421   4.573
  255    HA   LYS  35           HA       LYS  35 -14.624 -11.816   6.338
  256    HB2  LYS  35           1HB      LYS  35 -16.773 -11.259   5.245
  257    HB3  LYS  35           2HB      LYS  35 -15.994 -11.330   3.661
  258    HG2  LYS  35           1HG      LYS  35 -15.568 -13.739   3.942
  259    HG3  LYS  35           2HG      LYS  35 -16.230 -13.677   5.598
  260    HD2  LYS  35           1HD      LYS  35 -18.407 -12.938   4.699
  261    HD3  LYS  35           2HD      LYS  35 -17.744 -12.950   3.052
  262    HE2  LYS  35           1HE      LYS  35 -17.306 -15.385   3.233
  263    HE3  LYS  35           2HE      LYS  35 -17.900 -15.386   4.896
  264    HZ1  LYS  35           3HZ      LYS  35 -19.552 -14.721   2.516
  265    HZ2  LYS  35           1HZ      LYS  35 -20.089 -14.740   4.059
  266    HZ3  LYS  35           2HZ      LYS  35 -19.615 -16.127   3.344
  267    H    TRP  36           H        TRP  36 -13.150 -10.307   3.575
  268    HA   TRP  36           HA       TRP  36 -11.676 -12.794   2.833
  269    HB2  TRP  36           1HB      TRP  36 -12.395 -10.468   1.044
  270    HB3  TRP  36           2HB      TRP  36 -11.692 -12.006   0.573
  271    HD1  TRP  36           1HD      TRP  36 -14.851 -10.273   0.651
  272    HE1  TRP  36           1HE      TRP  36 -16.869 -11.835   0.349
  273    HE3  TRP  36           3HE      TRP  36 -12.541 -14.751   1.566
  274    HZ2  TRP  36           2HZ      TRP  36 -17.406 -14.666   0.485
  275    HZ3  TRP  36           3HZ      TRP  36 -13.840 -16.868   1.495
  276    HH2  TRP  36           2HH      TRP  36 -16.265 -16.841   0.950