*HEADER    TRANSCRIPTION                           26-JAN-15   2RV0              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF12) 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 828-857;                                      
*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: P060718-06                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV0    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CG NE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,90,71,72, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=94,99,97,98, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=92,101,95,96, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=105,110,108,109, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=103,122,106,107, &end
#
#  chirality for residue 11 atoms:  CA OG HB2 HB3
 &rst iat=126,131,129,130, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=124,133,127,128, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=155,149,153,154, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=152,146,150,151, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=149,145,147,148, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=145,157,156,152, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=161,165,169,164, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=159,173,162,163, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=189,195,193,194, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=185,198,188,189, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=202,207,205,206, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=204,210,208,209, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=210,216,214,215, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=207,213,211,212, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=200,220,203,204, &end
#
#  chirality for residue 18 atoms:  CA OG HB2 HB3
 &rst iat=224,229,227,228, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=222,231,225,226, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=235,240,238,239, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=233,251,236,237, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=253,262,256,257, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=266,271,269,270, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=268,274,272,273, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=264,277,267,268, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=281,286,284,285, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=279,289,282,283, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=293,298,296,297, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=298,304,302,303, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=291,313,294,295, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 24 atoms:  CB CD1 CD2 HG
 &rst iat=319,324,328,323, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=315,332,318,319, &end
#
#  chirality for residue 25 atoms:  CA CG2 CG1 HB
 &rst iat=336,340,344,339, &end
#
#  chirality for residue 25 atoms:  CB CD1 HG12 HG13
 &rst iat=338,347,345,346, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=334,351,337,338, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=357,363,361,362, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=353,373,356,357, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=377,382,380,381, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=375,384,378,379, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=388,393,391,392, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=386,401,389,390, &end
#
#  chirality for residue 29 atoms:  CA CG2 CG1 HB
 &rst iat=405,409,413,408, &end
#
#  chirality for residue 29 atoms:  CB CD1 HG12 HG13
 &rst iat=407,416,414,415, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=403,420,406,407, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=424,429,427,428, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=426,432,430,431, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=432,438,436,437, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=429,435,433,434, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=422,442,425,426, &end
#
#  chirality for residue 31 atoms:  CA CG2 OG1 HB
 &rst iat=446,450,454,449, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=444,456,447,448, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=458,470,461,462, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=474,479,477,478, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=472,487,475,476, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=499,493,497,498, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=496,490,494,495, &end
#
#  chirality for residue 34 atoms:  CG N HD2 HD3
 &rst iat=493,489,491,492, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=489,501,500,496, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=505,510,508,509, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=507,513,511,512, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=503,516,506,507, &end
#
#  chirality for residue 36 atoms:  CA CG1 CG2 HB
 &rst iat=520,524,528,523, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=518,532,521,522, &end
#
#  chirality for residue 37 atoms:  CA OG HB2 HB3
 &rst iat=536,541,539,540, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=534,543,537,538, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=94,92,90,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=105,103,101,94, &end
#
#  trans-omega constraint for residue 11
 &rst iat=126,124,122,105, &end
#
#  trans-omega constraint for residue 12
 &rst iat=137,135,133,126, &end
#
#  trans-omega constraint for residue 13
 &rst iat=155,145,143,137, &end
#
#  trans-omega constraint for residue 14
 &rst iat=161,159,157,155, &end
#
#  trans-omega constraint for residue 15
 &rst iat=177,175,173,161, &end
#
#  trans-omega constraint for residue 16
 &rst iat=187,185,183,177, &end
#
#  trans-omega constraint for residue 17
 &rst iat=202,200,198,187, &end
#
#  trans-omega constraint for residue 18
 &rst iat=224,222,220,202, &end
#
#  trans-omega constraint for residue 19
 &rst iat=235,233,231,224, &end
#
#  trans-omega constraint for residue 20
 &rst iat=255,253,251,235, &end
#
#  trans-omega constraint for residue 21
 &rst iat=266,264,262,255, &end
#
#  trans-omega constraint for residue 22
 &rst iat=281,279,277,266, &end
#
#  trans-omega constraint for residue 23
 &rst iat=293,291,289,281, &end
#
#  trans-omega constraint for residue 24
 &rst iat=317,315,313,293, &end
#
#  trans-omega constraint for residue 25
 &rst iat=336,334,332,317, &end
#
#  trans-omega constraint for residue 26
 &rst iat=355,353,351,336, &end
#
#  trans-omega constraint for residue 27
 &rst iat=377,375,373,355, &end
#
#  trans-omega constraint for residue 28
 &rst iat=388,386,384,377, &end
#
#  trans-omega constraint for residue 29
 &rst iat=405,403,401,388, &end
#
#  trans-omega constraint for residue 30
 &rst iat=424,422,420,405, &end
#
#  trans-omega constraint for residue 31
 &rst iat=446,444,442,424, &end
#
#  trans-omega constraint for residue 32
 &rst iat=460,458,456,446, &end
#
#  trans-omega constraint for residue 33
 &rst iat=474,472,470,460, &end
#
#  trans-omega constraint for residue 34
 &rst iat=499,489,487,474, &end
#
#  trans-omega constraint for residue 35
 &rst iat=505,503,501,499, &end
#
#  trans-omega constraint for residue 36
 &rst iat=520,518,516,505, &end
#
#  trans-omega constraint for residue 37
 &rst iat=536,534,532,520, &end
#
# 8 ARG HA 8 ARG QD 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  79,  80,
 &end
#
# 8 ARG HA 8 ARG QG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  76,  77,
 &end
#
# 8 ARG QB 10 TYR QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  73,  74,
 igr2= 114, 119,
 &end
#
# 8 ARG QB 8 ARG QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=  73,  74,
 igr2=  79,  80,
 &end
#
# 8 ARG QB 8 ARG QG 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=  73,  74,
 igr2=  76,  77,
 &end
#
# 8 ARG QB 9 SER HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  73,  74,
 &end
#
# 9 SER HA 10 TYR HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 104, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 9 SER HA 10 TYR QD 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 112, 121,
 &end
#
# 9 SER QB 10 TYR HN 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=  97,  98,
 &end
#
# 10 TYR HA 10 TYR QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 112, 121,
 &end
#
# 10 TYR HA 11 SER HN 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 10 TYR HA 25 ILE QG2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HB2 11 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 125, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 10 TYR HB2 25 ILE HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 TYR HB2 25 ILE QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HB2 25 ILE QG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HB3 11 SER HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 10 TYR HB3 25 ILE HB 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 TYR HB3 25 ILE QD1 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR HB3 25 ILE QG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR HN 10 TYR HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 108, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 10 TYR HN 10 TYR HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 10 TYR HN 10 TYR QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 108, 109,
 &end
#
# 10 TYR HN 10 TYR QD 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 112, 121,
 &end
#
# 10 TYR QB 11 SER HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 19 PHE HB2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 19 PHE HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 108, 109,
 &end
#
# 10 TYR QB 25 ILE QD1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 108, 109,
 igr2= 348, 349, 350,
 &end
#
# 10 TYR QB 25 ILE QG1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 108, 109,
 igr2= 345, 346,
 &end
#
# 10 TYR QB 25 ILE QG2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 108, 109,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR QD 22 ASP HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 112, 121,
 &end
#
# 10 TYR QD 25 ILE QG2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 112, 121,
 igr2= 341, 342, 343,
 &end
#
# 10 TYR QE 22 ASP HA 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 114, 119,
 &end
#
# 10 TYR QE 22 ASP QB 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 114, 119,
 igr2= 284, 285,
 &end
#
# 11 SER HA 12 CYM  HB2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 11 SER HA 12 CYM  HB3 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 140, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 11 SER HA 12 CYM  HN 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 136, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 11 SER HA 18 SER HA 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 225, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 11 SER HA 18 SER QB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 227, 228,
 &end
#
# 11 SER HA 19 PHE HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 234, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 11 SER HA 25 ILE QD1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 348, 349, 350,
 &end
#
# 11 SER HB2 12 CYM  HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 11 SER HB2 16 GLU HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 188, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 11 SER HB3 12 CYM  HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 136, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 11 SER HB3 16 GLU HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 188, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 11 SER HN 11 SER HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 11 SER HN 11 SER HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 11 SER HN 11 SER QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 129, 130,
 &end
#
# 11 SER HN 25 ILE QD1 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 348, 349, 350,
 &end
#
# 11 SER QB 16 GLU HA 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 129, 130,
 &end
#
# 12 CYM  HA 13 PRO HD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 12 CYM  HA 13 PRO HD3 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 12 CYM  HA 25 ILE QD1 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HA 29 ILE QD1 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 417, 418, 419,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 176, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 12 CYM  HB2 17 LYS HB2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 205, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 CYM  HB2 17 LYS HB3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 206, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 CYM  HB2 17 LYS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 201, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 12 CYM  HB2 19 PHE QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 244, 248,
 &end
#
# 12 CYM  HB2 25 ILE QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 176, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 12 CYM  HB3 16 GLU HA 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 188, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12 CYM  HB3 16 GLU HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 186, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 12 CYM  HB3 17 LYS HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 12 CYM  HB3 17 LYS QB 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 205, 206,
 &end
#
# 12 CYM  HB3 19 PHE QE 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 244, 248,
 &end
#
# 12 CYM  HB3 25 ILE QD1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 348, 349, 350,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 400, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 141, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 12 CYM  HN 13 PRO QD 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 147, 148,
 &end
#
# 12 CYM  HN 16 GLU HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 188, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HN 17 LYS HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 201, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 12 CYM  HN 18 SER HA 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 225, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 12 CYM  HN 19 PHE QE 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 244, 248,
 &end
#
# 12 CYM  HN 25 ILE QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HB2 14 VAL QG2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HD2 25 ILE QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HD2 29 ILE QD1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HD3 25 ILE QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO HD3 29 ILE QD1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HG2 14 VAL HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 13 PRO HG2 14 VAL QG2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HG2 29 ILE QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO HG3 14 VAL QG2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO HG3 29 ILE QD1 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 417, 418, 419,
 &end
#
# 13 PRO QD 14 VAL HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 147, 148,
 &end
#
# 13 PRO QD 14 VAL QG2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 147, 148,
 igr2= 170, 171, 172,
 &end
#
# 13 PRO QD 25 ILE QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 147, 148,
 igr2= 348, 349, 350,
 &end
#
# 13 PRO QD 29 ILE HG12 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 147, 148,
 &end
#
# 13 PRO QD 29 ILE QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 147, 148,
 igr2= 417, 418, 419,
 &end
#
# 14 VAL HA 14 VAL QG1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 166, 167, 168,
 &end
#
# 14 VAL HA 14 VAL QG2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 170, 171, 172,
 &end
#
# 14 VAL HB 15 CYM  HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 176, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 14 VAL HB 33 HIS HD2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14 VAL HB 33 HIS HE1 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 483, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 14 VAL HN 14 VAL HB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 14 VAL HN 14 VAL QG1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 166, 167, 168,
 &end
#
# 14 VAL HN 14 VAL QG2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 170, 171, 172,
 &end
#
# 14 VAL HN 15 CYM  HN 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 176, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 14 VAL QG1 15 CYM  HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 15 CYM  HB3 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 15 CYM  HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 33 HIS HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG1 33 HIS HE1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 166, 167, 168,
 &end
#
# 14 VAL QG2 15 CYM  HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 29 ILE QG2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 170, 171, 172,
 igr2= 410, 411, 412,
 &end
#
# 14 VAL QG2 33 HIS HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 33 HIS HB3 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 170, 171, 172,
 &end
#
# 14 VAL QG2 33 HIS HD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 170, 171, 172,
 &end
#
# 15 CYM  HB2 16 GLU HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 186, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 15 CYM  HB2 33 HIS HE1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 483, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 15 CYM  HB3 33 HIS HE1 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 483, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 180, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 15 CYM  HN 16 GLU HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 188, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 15 CYM  HN 16 GLU HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 186, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 16 GLU HA 16 GLU QG 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 193, 194,
 &end
#
# 16 GLU HN 16 GLU QG 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 193, 194,
 &end
#
# 16 GLU QB 17 LYS HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 190, 191,
 &end
#
# 17 LYS HA 17 LYS QG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 208, 209,
 &end
#
# 17 LYS HA 18 SER HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 223, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 17 LYS HA 18 SER QB 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 227, 228,
 &end
#
# 17 LYS HB2 19 PHE QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 244, 248,
 &end
#
# 17 LYS HB3 19 PHE QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 244, 248,
 &end
#
# 17 LYS HG2 18 SER HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 223, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 17 LYS HG3 18 SER HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 223, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 17 LYS HN 17 LYS HB2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 205, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 LYS HN 17 LYS HB3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 206, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 LYS HN 17 LYS HG2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 208, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 17 LYS HN 17 LYS HG3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 209, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 17 LYS HN 17 LYS QB 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 205, 206,
 &end
#
# 17 LYS HN 17 LYS QG 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 208, 209,
 &end
#
# 17 LYS QB 18 SER HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 205, 206,
 &end
#
# 17 LYS QB 19 PHE HZ 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 205, 206,
 &end
#
# 17 LYS QB 19 PHE QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 205, 206,
 igr2= 244, 248,
 &end
#
# 17 LYS QB 28 HIS HE1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 205, 206,
 &end
#
# 17 LYS QD 18 SER HN 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 211, 212,
 &end
#
# 17 LYS QD 19 PHE HZ 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 211, 212,
 &end
#
# 17 LYS QD 19 PHE QE 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 211, 212,
 igr2= 244, 248,
 &end
#
# 17 LYS QD 28 HIS HE1 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 211, 212,
 &end
#
# 17 LYS QG 18 SER HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 208, 209,
 &end
#
# 17 LYS QG 28 HIS HE1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 208, 209,
 &end
#
# 18 SER HA 19 PHE HN 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 234, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 18 SER HA 19 PHE QD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 242, 250,
 &end
#
# 18 SER HN 18 SER QB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 227, 228,
 &end
#
# 18 SER QB 19 PHE HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 227, 228,
 &end
#
# 19 PHE HA 19 PHE QD 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 242, 250,
 &end
#
# 19 PHE HB2 21 GLU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 265, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 19 PHE HB2 24 LEU HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 320, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 19 PHE HB2 25 ILE HB 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 339, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 19 PHE HB2 25 ILE HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 335, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 19 PHE HB2 25 ILE QD1 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HB3 21 GLU HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 265, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 19 PHE HB3 24 LEU HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 320, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 19 PHE HB3 24 LEU HB3 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 321, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 19 PHE HB3 24 LEU HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 316, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 19 PHE HB3 24 LEU QD1 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 325, 326, 327,
 &end
#
# 19 PHE HB3 25 ILE HB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 339, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 19 PHE HB3 25 ILE HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 335, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 19 PHE HB3 25 ILE QD1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HN 19 PHE HB2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 238, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 19 PHE HN 19 PHE HB3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 19 PHE HN 19 PHE QD 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 242, 250,
 &end
#
# 19 PHE HN 25 ILE QD1 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE HZ 28 HIS HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 391, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 PHE HZ 28 HIS HE1 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 397, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 19 PHE QD 24 LEU HB2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 24 LEU HB3 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 24 LEU QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 242, 250,
 igr2= 325, 326, 327,
 &end
#
# 19 PHE QD 25 ILE HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 25 ILE HB 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 242, 250,
 &end
#
# 19 PHE QD 25 ILE QD1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 242, 250,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE QE 25 ILE HA 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 25 ILE QD1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 244, 248,
 igr2= 348, 349, 350,
 &end
#
# 19 PHE QE 28 HIS HB2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 28 HIS HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 244, 248,
 &end
#
# 19 PHE QE 28 HIS HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 244, 248,
 &end
#
# 20 SER HB2 21 GLU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 265, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 20 SER HB3 21 GLU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 265, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 20 SER QB 21 GLU HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 258, 259,
 &end
#
# 20 SER QB 24 LEU QD1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 258, 259,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HB2 24 LEU HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 316, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 21 GLU HB2 24 LEU QD1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HB3 24 LEU HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 316, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 21 GLU HB3 24 LEU QD1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HG2 24 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HG3 24 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU HN 21 GLU HB2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 21 GLU HN 21 GLU HB3 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 21 GLU HN 21 GLU HG2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 21 GLU HN 21 GLU HG3 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 273, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 21 GLU HN 21 GLU QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 269, 270,
 &end
#
# 21 GLU HN 24 LEU HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 320, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 GLU HN 24 LEU HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 321, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 21 GLU HN 24 LEU QD1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU QB 23 ARG HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 23 ARG QG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 269, 270,
 igr2= 299, 300,
 &end
#
# 21 GLU QB 24 LEU HB2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU HG 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 269, 270,
 &end
#
# 21 GLU QB 24 LEU QD1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 269, 270,
 igr2= 325, 326, 327,
 &end
#
# 21 GLU QB 24 LEU QD2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 269, 270,
 igr2= 329, 330, 331,
 &end
#
# 21 GLU QG 24 LEU HG 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 272, 273,
 &end
#
# 21 GLU QG 24 LEU HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 272, 273,
 &end
#
# 21 GLU QG 24 LEU QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 272, 273,
 igr2= 325, 326, 327,
 &end
#
# 22 ASP HA 25 ILE HB 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 339, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 22 ASP HA 25 ILE HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 335, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 22 ASP HA 25 ILE QD1 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 348, 349, 350,
 &end
#
# 22 ASP HA 25 ILE QG2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 341, 342, 343,
 &end
#
# 22 ASP HA 26 LYS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 354, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 22 ASP QB 23 ARG HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 284, 285,
 &end
#
# 22 ASP QB 24 LEU HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 284, 285,
 &end
#
# 23 ARG HA 26 LYS HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 354, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 23 ARG HA 26 LYS QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 358, 359,
 &end
#
# 23 ARG HA 26 LYS QG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 361, 362,
 &end
#
# 23 ARG HB2 23 ARG HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 302, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB2 23 ARG HD3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB3 23 ARG HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HB3 23 ARG HD3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 ARG HG2 24 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 316, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 23 ARG HG2 24 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 329, 330, 331,
 &end
#
# 23 ARG HG3 24 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 316, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 23 ARG HG3 24 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 329, 330, 331,
 &end
#
# 23 ARG HN 23 ARG HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 23 ARG HN 23 ARG HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 23 ARG HN 23 ARG QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 296, 297,
 &end
#
# 23 ARG HN 23 ARG QG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 299, 300,
 &end
#
# 23 ARG HN 24 LEU HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 24 LEU HA 24 LEU HG 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 LEU HA 24 LEU QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HA 24 LEU QD2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HA 27 SER HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 380, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 24 LEU HA 27 SER HB3 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 381, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 24 LEU HA 27 SER QB 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 380, 381,
 &end
#
# 24 LEU HB2 24 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HB2 24 LEU QD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HB2 25 ILE HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 24 LEU HB3 24 LEU QD1 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HB3 24 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HB3 25 ILE HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 24 LEU HG 25 ILE HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 24 LEU HN 24 LEU HB2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 24 LEU HN 24 LEU HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 24 LEU HN 24 LEU HG 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 24 LEU HN 24 LEU QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 325, 326, 327,
 &end
#
# 24 LEU HN 24 LEU QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 329, 330, 331,
 &end
#
# 24 LEU HN 25 ILE HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 335, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 24 LEU HN 25 ILE QG2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 341, 342, 343,
 &end
#
# 24 LEU HN 26 LYS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 354, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 25 ILE HA 25 ILE QD1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HA 25 ILE QG1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 345, 346,
 &end
#
# 25 ILE HA 25 ILE QG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 341, 342, 343,
 &end
#
# 25 ILE HA 28 HIS HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 391, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 25 ILE HA 28 HIS HB3 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 25 ILE HA 28 HIS HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 387, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 25 ILE HA 29 ILE HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 25 ILE HB 25 ILE QD1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HB 26 LYS HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 25 ILE HG12 29 ILE QD1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 417, 418, 419,
 &end
#
# 25 ILE HG13 29 ILE QD1 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 417, 418, 419,
 &end
#
# 25 ILE HN 25 ILE HB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 25 ILE HN 25 ILE HG12 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 ILE HN 25 ILE HG13 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 346, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 25 ILE HN 25 ILE QD1 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 348, 349, 350,
 &end
#
# 25 ILE HN 25 ILE QG2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 341, 342, 343,
 &end
#
# 25 ILE HN 26 LYS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 25 ILE QD1 28 HIS HB3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QD1 28 HIS HD2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QD1 29 ILE HG13 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 348, 349, 350,
 &end
#
# 25 ILE QG1 29 ILE HG13 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 345, 346,
 &end
#
# 25 ILE QG2 25 ILE HG12 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 25 ILE HG13 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 25 ILE QG1 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 341, 342, 343,
 igr2= 345, 346,
 &end
#
# 25 ILE QG2 26 LYS HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS HN 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 341, 342, 343,
 &end
#
# 25 ILE QG2 26 LYS QB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 341, 342, 343,
 igr2= 358, 359,
 &end
#
# 25 ILE QG2 29 ILE HG13 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 341, 342, 343,
 &end
#
# 26 LYS HA 26 LYS HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS QD 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 364, 365,
 &end
#
# 26 LYS HA 26 LYS QG 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 361, 362,
 &end
#
# 26 LYS HA 29 ILE HB 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 408, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 26 LYS HA 29 ILE HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 404, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 26 LYS HA 29 ILE QD1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 417, 418, 419,
 &end
#
# 26 LYS HA 30 LYS HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 423, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 26 LYS HN 26 LYS HG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 LYS HN 26 LYS HG3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 LYS HN 26 LYS QB 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 358, 359,
 &end
#
# 26 LYS HN 26 LYS QG 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 361, 362,
 &end
#
# 26 LYS HN 27 SER HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 26 LYS QB 26 LYS HD2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 26 LYS HD3 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 27 SER HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 358, 359,
 &end
#
# 26 LYS QB 28 HIS HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 358, 359,
 &end
#
# 27 SER HA 30 LYS HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 423, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 27 SER HA 30 LYS QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 427, 428,
 &end
#
# 27 SER HN 27 SER HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 27 SER HN 27 SER HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 27 SER HN 28 HIS HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 387, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 27 SER QB 28 HIS HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 380, 381,
 &end
#
# 28 HIS HA 30 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 28 HIS HA 31 THR HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 445, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 28 HIS HA 32 ASN HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 459, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 28 HIS HA 32 ASN QD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 468, 469,
 &end
#
# 28 HIS HB2 29 ILE HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 28 HIS HB3 29 ILE HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 28 HIS HD2 29 ILE HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 28 HIS HD2 29 ILE HG12 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 414, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 28 HIS HD2 29 ILE HG13 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 415, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 28 HIS HD2 29 ILE HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 28 HIS HD2 29 ILE QD1 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 417, 418, 419,
 &end
#
# 28 HIS HD2 33 HIS HD2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 486, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HE1 32 ASN HB2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 463, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 28 HIS HE1 32 ASN QD2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 468, 469,
 &end
#
# 28 HIS HN 28 HIS HB2 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 28 HIS HN 28 HIS HB3 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28 HIS HN 29 ILE HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HN 29 ILE HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 404, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 28 HIS HN 30 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 427, 428,
 &end
#
# 29 ILE HA 29 ILE HG12 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 29 ILE HA 29 ILE HG13 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 29 ILE HA 29 ILE QD1 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HA 29 ILE QG2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 410, 411, 412,
 &end
#
# 29 ILE HA 32 ASN HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 459, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 29 ILE HA 33 HIS HD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 486, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 29 ILE HA 33 HIS HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 473, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 29 ILE HB 29 ILE QD1 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HB 30 LYS HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 423, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 29 ILE HG12 33 HIS HD2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 486, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29 ILE HG13 30 LYS HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 423, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 29 ILE HG13 33 HIS HD2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 486, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 29 ILE HN 29 ILE HB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 29 ILE HN 29 ILE HG12 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 29 ILE HN 29 ILE HG13 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 29 ILE HN 29 ILE QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 417, 418, 419,
 &end
#
# 29 ILE HN 29 ILE QG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 410, 411, 412,
 &end
#
# 29 ILE HN 30 LYS HN 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 29 ILE HN 31 THR HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 445, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 29 ILE QD1 33 HIS HD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 417, 418, 419,
 &end
#
# 29 ILE QG2 29 ILE HG12 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 29 ILE HG13 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 30 LYS HA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 30 LYS HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HB2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HB3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HD2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 33 HIS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 37 SER HA 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 410, 411, 412,
 &end
#
# 29 ILE QG2 37 SER QB 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 410, 411, 412,
 igr2= 539, 540,
 &end
#
# 30 LYS HA 30 LYS HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 LYS HA 30 LYS HG3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 431, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 LYS HA 30 LYS QB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 427, 428,
 &end
#
# 30 LYS HA 30 LYS QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 433, 434,
 &end
#
# 30 LYS HA 30 LYS QG 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 430, 431,
 &end
#
# 30 LYS HA 34 PRO HA 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 500, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 30 LYS HN 30 LYS HG2 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 30 LYS HN 30 LYS HG3 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 30 LYS HN 30 LYS QB 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 427, 428,
 &end
#
# 30 LYS HN 31 THR HN 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 445, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 30 LYS HN 32 ASN HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 459, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 30 LYS HN 33 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 LYS QB 31 THR HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 427, 428,
 &end
#
# 30 LYS QB 31 THR QG2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 427, 428,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HA 31 THR QG2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HA 32 ASN HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 459, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 31 THR HA 33 HIS HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 473, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 31 THR HB 32 ASN HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 459, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 31 THR HB 32 ASN QD2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 468, 469,
 &end
#
# 31 THR HN 31 THR HB 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 31 THR HN 31 THR QG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 451, 452, 453,
 &end
#
# 31 THR HN 32 ASN HB2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 463, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 31 THR HN 32 ASN HN 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 459, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 31 THR QG2 32 ASN HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 451, 452, 453,
 &end
#
# 32 ASN HB2 33 HIS HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 473, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 32 ASN HB3 33 HIS HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 473, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 32 ASN HN 32 ASN HB2 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 32 ASN HN 32 ASN HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 32 ASN HN 32 ASN QD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 468, 469,
 &end
#
# 32 ASN HN 34 PRO HD3 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 492, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 33 HIS HA 34 PRO HD2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 33 HIS HA 34 PRO HD3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 492, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 33 HIS HA 34 PRO QG 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 494, 495,
 &end
#
# 33 HIS HA 35 GLU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 504, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 HIS HB2 33 HIS HD2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 486, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 33 HIS HB2 36 VAL HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 519, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 33 HIS HB2 36 VAL QQG 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 33 HIS HB3 36 VAL HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 519, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 33 HIS HB3 36 VAL QQG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 33 HIS HN 33 HIS HB2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 477, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 33 HIS HN 33 HIS HB3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 478, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 33 HIS HN 33 HIS HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 486, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 HIS HN 34 PRO HD2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 33 HIS HN 34 PRO HD3 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 33 HIS HN 34 PRO QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
# 34 PRO HA 36 VAL HN 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 34 PRO HD2 35 GLU HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 34 PRO HD3 35 GLU HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 34 PRO QB 35 GLU HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 497, 498,
 &end
#
# 34 PRO QB 36 VAL HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 497, 498,
 &end
#
# 34 PRO QB 36 VAL QQG 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 497, 498,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 34 PRO QG 35 GLU HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 494, 495,
 &end
#
# 35 GLU HB2 36 VAL HN 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 519, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 35 GLU HB3 36 VAL HN 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 519, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 35 GLU HN 35 GLU HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 508, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 35 GLU HN 35 GLU HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 509, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 35 GLU HN 35 GLU HG2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 35 GLU HN 35 GLU HG3 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 512, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 35 GLU HN 35 GLU QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 508, 509,
 &end
#
# 35 GLU HN 36 VAL HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 519, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 35 GLU HN 36 VAL QQG 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 35 GLU QB 36 VAL HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 508, 509,
 &end
#
# 35 GLU QG 36 VAL QQG 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 511, 512,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL HA 36 VAL QG1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 525, 526, 527,
 &end
#
# 36 VAL HA 36 VAL QG2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 529, 530, 531,
 &end
#
# 36 VAL HA 36 VAL QQG 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL HA 37 SER HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 36 VAL HB 37 SER HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 535, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 VAL HN 36 VAL HB 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 36 VAL HN 36 VAL QG1 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 525, 526, 527,
 &end
#
# 36 VAL HN 36 VAL QG2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 529, 530, 531,
 &end
#
# 36 VAL HN 36 VAL QQG 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 525, 526, 527, 529, 530, 531,
 &end
#
# 36 VAL QG1 37 SER HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 525, 526, 527,
 &end
#
# 36 VAL QG2 37 SER HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 529, 530, 531,
 &end
#
# 36 VAL QQG 37 SER HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 525, 526, 527, 529, 530, 531,
 &end
#
# 37 SER HN 37 SER QB 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 539, 540,
 &end
# 546 atoms read from pdb file leap.pdb.
# 9 SER PHI:  (8 ARG C)-(9 SER N)-(9 SER CA)-(9 SER C) -127.0 -67.0
 &rst     iat =    90,    92,    94,   101,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 9 SER PSI:  (9 SER N)-(9 SER CA)-(9 SER C)-(10 TYR N) 134.0 194.0
 &rst     iat =    92,    94,   101,   103,
   r1 = 133.0, r2 = 134.0, r3 = 194.0, r4 = 195.0,
 &end
# 10 TYR CHI1:  (10 TYR N)-(10 TYR CA)-(10 TYR CB)-(10 TYR CG) -90.0 -30.0
 &rst     iat =   103,   105,   107,   110,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 10 TYR PHI:  (9 SER C)-(10 TYR N)-(10 TYR CA)-(10 TYR C) -138.0 -78.0
 &rst     iat =   101,   103,   105,   122,
   r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
 &end
# 10 TYR PSI:  (10 TYR N)-(10 TYR CA)-(10 TYR C)-(11 SER N) 103.0 163.0
 &rst     iat =   103,   105,   122,   124,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 11 SER PHI:  (10 TYR C)-(11 SER N)-(11 SER CA)-(11 SER C) -137.0 -77.0
 &rst     iat =   122,   124,   126,   133,
   r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
 &end
# 11 SER PSI:  (11 SER N)-(11 SER CA)-(11 SER C)-(12 CYM N)  97.0 157.0
 &rst     iat =   124,   126,   133,   135,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end
# 18 SER PHI:  (17 LYS C)-(18 SER N)-(18 SER CA)-(18 SER C) -138.0 -78.0
 &rst     iat =   220,   222,   224,   231,
   r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
 &end
# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 PHE N) 110.0 170.0
 &rst     iat =   222,   224,   231,   233,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end
# 19 PHE PHI:  (18 SER C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -150.8 -90.8
 &rst     iat =   231,   233,   235,   251,
   r1 = -151.8, r2 = -150.8, r3 = -90.8, r4 = -89.8,
 &end
# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 SER N) 105.8 165.8
 &rst     iat =   233,   235,   251,   253,
   r1 = 104.8, r2 = 105.8, r3 = 165.8, r4 = 166.8,
 &end
# 21 GLU CHI1:  (21 GLU N)-(21 GLU CA)-(21 GLU CB)-(21 GLU CG) -90.0 -30.0
 &rst     iat =   264,   266,   268,   271,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 23 ARG CHI1:  (23 ARG N)-(23 ARG CA)-(23 ARG CB)-(23 ARG CG)  30.0  90.0
 &rst     iat =   291,   293,   295,   298,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 23 ARG PHI:  (22 ASP C)-(23 ARG N)-(23 ARG CA)-(23 ARG C) -95.8 -35.8
 &rst     iat =   289,   291,   293,   313,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end
# 23 ARG PSI:  (23 ARG N)-(23 ARG CA)-(23 ARG C)-(24 LEU N) -65.3  -5.3
 &rst     iat =   291,   293,   313,   315,
   r1 = -66.3, r2 = -65.3, r3 =  -5.3, r4 =  -4.3,
 &end
# 24 LEU CHI1:  (24 LEU N)-(24 LEU CA)-(24 LEU CB)-(24 LEU CG) -90.0 -30.0
 &rst     iat =   315,   317,   319,   322,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 24 LEU PHI:  (23 ARG C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -102.1 -42.1
 &rst     iat =   313,   315,   317,   332,
   r1 = -103.1, r2 = -102.1, r3 = -42.1, r4 = -41.1,
 &end
# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ILE N) -63.7  -3.7
 &rst     iat =   315,   317,   332,   334,
   r1 = -64.7, r2 = -63.7, r3 =  -3.7, r4 =  -2.7,
 &end
# 25 ILE PHI:  (24 LEU C)-(25 ILE N)-(25 ILE CA)-(25 ILE C) -99.0 -39.0
 &rst     iat =   332,   334,   336,   351,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end
# 25 ILE PSI:  (25 ILE N)-(25 ILE CA)-(25 ILE C)-(26 LYS N) -69.1  -9.1
 &rst     iat =   334,   336,   351,   353,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end
# 26 LYS PHI:  (25 ILE C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -91.5 -31.4
 &rst     iat =   351,   353,   355,   373,
   r1 = -92.5, r2 = -91.5, r3 = -31.4, r4 = -30.4,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 SER N) -73.8 -13.8
 &rst     iat =   353,   355,   373,   375,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end
# 27 SER PHI:  (26 LYS C)-(27 SER N)-(27 SER CA)-(27 SER C) -97.0 -37.0
 &rst     iat =   373,   375,   377,   384,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 27 SER PSI:  (27 SER N)-(27 SER CA)-(27 SER C)-(28 HID N) -70.2 -10.2
 &rst     iat =   375,   377,   384,   386,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end
# 28 HIS CHI1:  (28 HID N)-(28 HID CA)-(28 HID CB)-(28 HID CG) 150.0 210.0
 &rst     iat =   386,   388,   390,   393,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 28 HIS PHI:  (27 SER C)-(28 HID N)-(28 HID CA)-(28 HID C) -93.6 -33.6
 &rst     iat =   384,   386,   388,   401,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 ILE N) -75.3 -15.3
 &rst     iat =   386,   388,   401,   403,
   r1 = -76.3, r2 = -75.3, r3 = -15.3, r4 = -14.3,
 &end
# 29 ILE PHI:  (28 HID C)-(29 ILE N)-(29 ILE CA)-(29 ILE C) -94.5 -34.5
 &rst     iat =   401,   403,   405,   420,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end
# 29 ILE PSI:  (29 ILE N)-(29 ILE CA)-(29 ILE C)-(30 LYS N) -73.2 -13.2
 &rst     iat =   403,   405,   420,   422,
   r1 = -74.2, r2 = -73.2, r3 = -13.2, r4 = -12.2,
 &end
# 30 LYS PHI:  (29 ILE C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -94.2 -34.2
 &rst     iat =   420,   422,   424,   442,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end
# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 THR N) -66.7  -6.7
 &rst     iat =   422,   424,   442,   444,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end
# 31 THR PHI:  (30 LYS C)-(31 THR N)-(31 THR CA)-(31 THR C) -104.0 -44.0
 &rst     iat =   442,   444,   446,   456,
   r1 = -105.0, r2 = -104.0, r3 = -44.0, r4 = -43.0,
 &end
# 31 THR PSI:  (31 THR N)-(31 THR CA)-(31 THR C)-(32 ASN N) -62.0  -2.0
 &rst     iat =   444,   446,   456,   458,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end
# 32 ASN CHI1:  (32 ASN N)-(32 ASN CA)-(32 ASN CB)-(32 ASN CG) -90.0 -30.0
 &rst     iat =   458,   460,   462,   465,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 182, 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= 142, 398, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 484, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 546, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 546, 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= 182, 398, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 484, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 546, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 546, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   33 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 484, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 546, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  33 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 546, 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  22.362   4.616  20.238
    2    H2   GLY   1           2H       GLY   1  23.942   4.411  19.858
    3    H3   GLY   1           3H       GLY   1  22.780   3.672  18.968
    4    HA2  GLY   1           1HA      GLY   1  23.200   6.585  19.145
    5    HA3  GLY   1           2HA      GLY   1  23.671   5.566  17.773
    6    H    SER   2           H        SER   2  22.005   7.766  17.445
    7    HA   SER   2           HA       SER   2  19.197   6.977  17.375
    8    HB2  SER   2           1HB      SER   2  20.048   9.325  17.697
    9    HB3  SER   2           2HB      SER   2  20.508   9.331  15.981
   10    HG   SER   2           HG       SER   2  18.394  10.200  16.372
   11    H    SER   3           H        SER   3  17.889   6.820  15.463
   12    HA   SER   3           HA       SER   3  18.935   4.972  13.533
   13    HB2  SER   3           1HB      SER   3  16.298   6.484  13.507
   14    HB3  SER   3           2HB      SER   3  16.686   5.038  12.561
   15    HG   SER   3           HG       SER   3  16.890   3.868  14.503
   16    H    GLY   4           H        GLY   4  19.337   5.134  11.366
   17    HA2  GLY   4           1HA      GLY   4  20.006   7.739  10.185
   18    HA3  GLY   4           2HA      GLY   4  20.193   6.151   9.450
   19    H    SER   5           H        SER   5  19.388   7.838   7.707
   20    HA   SER   5           HA       SER   5  16.610   8.419   7.432
   21    HB2  SER   5           1HB      SER   5  18.692   7.966   5.260
   22    HB3  SER   5           2HB      SER   5  17.127   8.778   5.062
   23    HG   SER   5           HG       SER   5  18.854  10.269   5.383
   24    H    SER   6           H        SER   6  14.962   7.436   6.212
   25    HA   SER   6           HA       SER   6  15.315   4.653   5.255
   26    HB2  SER   6           1HB      SER   6  14.759   4.574   7.706
   27    HB3  SER   6           2HB      SER   6  13.226   5.384   7.338
   28    HG   SER   6           HG       SER   6  13.046   3.081   7.403
   29    H    GLY   7           H        GLY   7  13.615   3.868   3.991
   30    HA2  GLY   7           1HA      GLY   7  11.220   5.219   3.285
   31    HA3  GLY   7           2HA      GLY   7  12.439   5.566   2.048
   32    H    ARG   8           H        ARG   8   9.913   3.875   2.033
   33    HA   ARG   8           HA       ARG   8  11.023   1.273   1.056
   34    HB2  ARG   8           1HB      ARG   8   8.779   1.590   3.102
   35    HB3  ARG   8           2HB      ARG   8   9.256   0.077   2.331
   36    HG2  ARG   8           1HG      ARG   8  11.539   0.302   3.343
   37    HG3  ARG   8           2HG      ARG   8  10.976   1.750   4.209
   38    HD2  ARG   8           1HD      ARG   8   9.206   0.402   5.303
   39    HD3  ARG   8           2HD      ARG   8   9.809  -1.047   4.469
   40    HE   ARG   8           HE       ARG   8  11.960   0.207   5.888
   41   HH11  ARG   8          2HH1      ARG   8   9.095  -1.676   6.611
   42   HH12  ARG   8          1HH1      ARG   8   9.767  -2.300   8.093
   43   HH21  ARG   8          2HH2      ARG   8  12.757  -0.626   7.785
   44   HH22  ARG   8          1HH2      ARG   8  11.789  -1.714   8.736
   45    H    SER   9           H        SER   9   9.689   0.043  -0.230
   46    HA   SER   9           HA       SER   9   7.339   1.358  -1.522
   47    HB2  SER   9           1HB      SER   9   7.769  -0.126  -3.438
   48    HB3  SER   9           2HB      SER   9   9.116   0.977  -3.119
   49    HG   SER   9           HG       SER   9   9.839  -1.170  -3.504
   50    H    TYR  10           H        TYR  10   5.684  -0.250  -2.286
   51    HA   TYR  10           HA       TYR  10   5.167  -2.337  -0.202
   52    HB2  TYR  10           1HB      TYR  10   3.207  -0.216  -1.148
   53    HB3  TYR  10           2HB      TYR  10   2.944  -1.429   0.097
   54    HD1  TYR  10           1HD      TYR  10   3.988  -1.214   2.332
   55    HD2  TYR  10           2HD      TYR  10   4.555   1.790  -0.714
   56    HE1  TYR  10           1HE      TYR  10   4.928   0.337   4.036
   57    HE2  TYR  10           2HE      TYR  10   5.546   3.321   0.989
   58    HH   TYR  10           HH       TYR  10   5.857   2.394   4.434
   59    H    SER  11           H        SER  11   3.528  -3.901  -0.749
   60    HA   SER  11           HA       SER  11   2.797  -4.122  -3.628
   61    HB2  SER  11           1HB      SER  11   3.943  -6.400  -1.981
   62    HB3  SER  11           2HB      SER  11   3.318  -6.501  -3.639
   63    HG   SER  11           HG       SER  11   5.612  -6.307  -3.568
   64    H    CYS  12           H        CYS  12   0.751  -4.778  -3.981
   65    HA   CYS  12           HA       CYS  12  -1.177  -4.669  -1.994
   66    HB2  CYS  12           1HB      CYS  12  -1.609  -4.246  -4.317
   67    HB3  CYS  12           2HB      CYS  12  -1.284  -5.943  -4.729
   68    HA   PRO  13           HA       PRO  13  -0.849  -8.813  -0.228
   69    HB2  PRO  13           1HB      PRO  13  -2.866  -8.701   1.617
   70    HB3  PRO  13           2HB      PRO  13  -1.322  -7.817   1.798
   71    HG2  PRO  13           1HG      PRO  13  -3.962  -6.754   0.751
   72    HG3  PRO  13           2HG      PRO  13  -2.882  -6.022   1.977
   73    HD2  PRO  13           1HD      PRO  13  -2.835  -5.277  -0.653
   74    HD3  PRO  13           2HD      PRO  13  -1.348  -5.312   0.342
   75    H    VAL  14           H        VAL  14  -3.355  -7.686  -2.248
   76    HA   VAL  14           HA       VAL  14  -4.767 -10.335  -2.230
   77    HB   VAL  14           HB       VAL  14  -5.907  -7.702  -3.174
   78   HG11  VAL  14          1HG1      VAL  14  -7.070  -9.681  -4.068
   79   HG12  VAL  14          2HG1      VAL  14  -7.208 -10.358  -2.428
   80   HG13  VAL  14          3HG1      VAL  14  -8.076  -8.873  -2.867
   81   HG21  VAL  14          3HG2      VAL  14  -6.115  -9.018  -0.438
   82   HG22  VAL  14          1HG2      VAL  14  -5.516  -7.386  -0.819
   83   HG23  VAL  14          2HG2      VAL  14  -7.221  -7.755  -1.017
   84    H    CYS  15           H        CYS  15  -3.272  -7.918  -4.397
   85    HA   CYS  15           HA       CYS  15  -3.388  -9.946  -6.570
   86    HB2  CYS  15           1HB      CYS  15  -4.007  -8.374  -8.196
   87    HB3  CYS  15           2HB      CYS  15  -5.239  -8.423  -6.935
   88    H    GLU  16           H        GLU  16  -1.283  -8.432  -4.751
   89    HA   GLU  16           HA       GLU  16   0.918  -8.092  -4.768
   90    HB2  GLU  16           1HB      GLU  16   0.507 -10.487  -5.806
   91    HB3  GLU  16           2HB      GLU  16   1.234  -9.770  -7.235
   92    HG2  GLU  16           1HG      GLU  16   2.953 -10.882  -6.031
   93    HG3  GLU  16           2HG      GLU  16   3.245  -9.165  -5.810
   94    H    LYS  17           H        LYS  17  -0.724  -6.302  -6.784
   95    HA   LYS  17           HA       LYS  17   1.224  -5.181  -8.566
   96    HB2  LYS  17           1HB      LYS  17  -1.159  -4.687  -8.802
   97    HB3  LYS  17           2HB      LYS  17  -1.192  -3.904  -7.211
   98    HG2  LYS  17           1HG      LYS  17   0.382  -2.200  -7.985
   99    HG3  LYS  17           2HG      LYS  17   0.499  -2.976  -9.576
  100    HD2  LYS  17           1HD      LYS  17  -1.884  -2.439  -9.971
  101    HD3  LYS  17           2HD      LYS  17  -1.994  -1.692  -8.372
  102    HE2  LYS  17           1HE      LYS  17  -0.187  -0.816 -10.678
  103    HE3  LYS  17           2HE      LYS  17  -1.661  -0.001 -10.157
  104    HZ1  LYS  17           3HZ      LYS  17   0.826  -0.253  -8.518
  105    HZ2  LYS  17           1HZ      LYS  17  -0.551   0.458  -8.014
  106    HZ3  LYS  17           2HZ      LYS  17   0.292   1.102  -9.256
  107    H    SER  18           H        SER  18   2.775  -3.644  -8.337
  108    HA   SER  18           HA       SER  18   3.776  -3.026  -5.649
  109    HB2  SER  18           1HB      SER  18   4.826  -2.243  -8.388
  110    HB3  SER  18           2HB      SER  18   5.629  -1.920  -6.844
  111    HG   SER  18           HG       SER  18   4.986  -4.495  -7.906
  112    H    PHE  19           H        PHE  19   4.035  -1.056  -4.718
  113    HA   PHE  19           HA       PHE  19   2.910   1.416  -5.931
  114    HB2  PHE  19           1HB      PHE  19   2.177   0.187  -3.248
  115    HB3  PHE  19           2HB      PHE  19   1.901   1.880  -3.628
  116    HD1  PHE  19           2HD      PHE  19   0.285   2.573  -5.351
  117    HD2  PHE  19           1HD      PHE  19   0.759  -1.566  -4.240
  118    HE1  PHE  19           2HE      PHE  19  -1.877   2.034  -6.452
  119    HE2  PHE  19           1HE      PHE  19  -1.372  -2.115  -5.389
  120    HZ   PHE  19           HZ       PHE  19  -2.675  -0.318  -6.517
  121    H    SER  20           H        SER  20   3.836   3.330  -5.214
  122    HA   SER  20           HA       SER  20   6.512   3.068  -4.028
  123    HB2  SER  20           1HB      SER  20   6.749   5.411  -4.846
  124    HB3  SER  20           2HB      SER  20   6.335   4.233  -6.103
  125    HG   SER  20           HG       SER  20   5.060   6.144  -6.248
  126    H    GLU  21           H        GLU  21   3.404   4.094  -2.865
  127    HA   GLU  21           HA       GLU  21   4.652   5.195  -0.401
  128    HB2  GLU  21           1HB      GLU  21   2.458   6.615  -1.947
  129    HB3  GLU  21           2HB      GLU  21   3.094   7.084  -0.371
  130    HG2  GLU  21           1HG      GLU  21   5.352   7.404  -1.438
  131    HG3  GLU  21           2HG      GLU  21   4.595   7.142  -3.017
  132    H    ASP  22           H        ASP  22   3.429   5.074   1.454
  133    HA   ASP  22           HA       ASP  22   1.736   2.862   1.824
  134    HB2  ASP  22           1HB      ASP  22   3.138   3.890   3.543
  135    HB3  ASP  22           2HB      ASP  22   2.190   5.374   3.479
  136    H    ARG  23           H        ARG  23   0.854   6.293   1.355
  137    HA   ARG  23           HA       ARG  23  -1.979   5.959   1.765
  138    HB2  ARG  23           1HB      ARG  23  -2.210   8.173   0.799
  139    HB3  ARG  23           2HB      ARG  23  -0.870   8.132   1.944
  140    HG2  ARG  23           1HG      ARG  23   0.742   7.982   0.040
  141    HG3  ARG  23           2HG      ARG  23  -0.616   8.054  -1.100
  142    HD2  ARG  23           1HD      ARG  23  -1.232  10.273  -0.302
  143    HD3  ARG  23           2HD      ARG  23   0.048  10.216   0.932
  144    HE   ARG  23           HE       ARG  23   1.372   9.746  -1.489
  145   HH11  ARG  23          2HH1      ARG  23  -0.500  12.477  -0.302
  146   HH12  ARG  23          1HH1      ARG  23   0.422  13.594  -1.274
  147   HH21  ARG  23          2HH2      ARG  23   2.453  11.094  -2.557
  148   HH22  ARG  23          1HH2      ARG  23   2.104  12.827  -2.574
  149    H    LEU  24           H        LEU  24   0.007   5.318  -1.054
  150    HA   LEU  24           HA       LEU  24  -2.265   5.360  -2.916
  151    HB2  LEU  24           1HB      LEU  24   0.608   4.430  -3.289
  152    HB3  LEU  24           2HB      LEU  24  -0.602   4.571  -4.564
  153    HG   LEU  24           HG       LEU  24   0.453   6.909  -2.921
  154   HD11  LEU  24          1HD1      LEU  24   1.637   7.535  -4.971
  155   HD12  LEU  24          2HD1      LEU  24   1.025   6.082  -5.797
  156   HD13  LEU  24          3HD1      LEU  24   2.151   5.934  -4.430
  157   HD21  LEU  24          3HD2      LEU  24  -1.373   6.843  -5.359
  158   HD22  LEU  24          1HD2      LEU  24  -0.639   8.303  -4.659
  159   HD23  LEU  24          2HD2      LEU  24  -1.813   7.380  -3.721
  160    H    ILE  25           H        ILE  25  -0.256   2.794  -1.368
  161    HA   ILE  25           HA       ILE  25  -1.858   0.673  -2.498
  162    HB   ILE  25           HB       ILE  25   0.397   0.268  -1.685
  163   HG12  ILE  25          1HG1      ILE  25  -1.697  -1.392  -0.216
  164   HG13  ILE  25          2HG1      ILE  25  -1.321  -1.534  -1.936
  165   HG21  ILE  25          1HG2      ILE  25   0.349   1.698   0.348
  166   HG22  ILE  25          2HG2      ILE  25  -0.718   0.507   1.141
  167   HG23  ILE  25          3HG2      ILE  25   0.943   0.086   0.683
  168   HD11  ILE  25          3HD1      ILE  25   0.611  -2.096   0.353
  169   HD12  ILE  25          1HD1      ILE  25  -0.218  -3.276  -0.647
  170   HD13  ILE  25          2HD1      ILE  25   0.991  -2.203  -1.390
  171    H    LYS  26           H        LYS  26  -2.170   2.524   0.591
  172    HA   LYS  26           HA       LYS  26  -4.477   1.064   1.515
  173    HB2  LYS  26           1HB      LYS  26  -3.438   3.866   2.054
  174    HB3  LYS  26           2HB      LYS  26  -4.936   3.264   2.780
  175    HG2  LYS  26           1HG      LYS  26  -3.804   1.412   3.844
  176    HG3  LYS  26           2HG      LYS  26  -2.280   1.790   3.025
  177    HD2  LYS  26           1HD      LYS  26  -2.129   3.933   4.203
  178    HD3  LYS  26           2HD      LYS  26  -3.685   3.635   5.012
  179    HE2  LYS  26           1HE      LYS  26  -2.794   1.705   6.184
  180    HE3  LYS  26           2HE      LYS  26  -1.310   1.740   5.220
  181    HZ1  LYS  26           3HZ      LYS  26  -0.720   3.826   6.205
  182    HZ2  LYS  26           1HZ      LYS  26  -0.965   2.739   7.402
  183    HZ3  LYS  26           2HZ      LYS  26  -2.097   3.889   7.108
  184    H    SER  27           H        SER  27  -4.292   3.941  -0.623
  185    HA   SER  27           HA       SER  27  -7.115   4.205  -1.022
  186    HB2  SER  27           1HB      SER  27  -4.839   4.828  -2.949
  187    HB3  SER  27           2HB      SER  27  -6.526   5.337  -3.136
  188    HG   SER  27           HG       SER  27  -4.678   6.072  -1.104
  189    H    HIS  28           H        HIS  28  -4.712   2.168  -2.779
  190    HA   HIS  28           HA       HIS  28  -6.560   1.022  -4.629
  191    HB2  HIS  28           1HB      HIS  28  -4.187   0.917  -4.962
  192    HB3  HIS  28           2HB      HIS  28  -3.936   0.040  -3.462
  193    HD1  HIS  28           1HD      HIS  28  -5.611  -0.603  -6.903
  194    HD2  HIS  28           2HD      HIS  28  -3.868  -2.535  -3.600
  195    HE1  HIS  28           1HE      HIS  28  -5.380  -3.039  -7.570
  196    H    ILE  29           H        ILE  29  -5.499  -0.207  -1.409
  197    HA   ILE  29           HA       ILE  29  -7.164  -2.528  -1.416
  198    HB   ILE  29           HB       ILE  29  -6.046  -0.871   0.870
  199   HG12  ILE  29          1HG1      ILE  29  -5.210  -3.599  -0.244
  200   HG13  ILE  29          2HG1      ILE  29  -4.422  -2.085  -0.669
  201   HG21  ILE  29          1HG2      ILE  29  -6.580  -2.803   2.352
  202   HG22  ILE  29          2HG2      ILE  29  -8.034  -2.078   1.707
  203   HG23  ILE  29          3HG2      ILE  29  -7.429  -3.596   1.007
  204   HD11  ILE  29          3HD1      ILE  29  -3.825  -1.725   1.731
  205   HD12  ILE  29          1HD1      ILE  29  -4.439  -3.363   2.081
  206   HD13  ILE  29          2HD1      ILE  29  -3.076  -3.145   0.978
  207    H    LYS  30           H        LYS  30  -7.910   0.820  -0.329
  208    HA   LYS  30           HA       LYS  30 -10.579   0.204   0.579
  209    HB2  LYS  30           1HB      LYS  30  -9.187   2.785  -0.225
  210    HB3  LYS  30           2HB      LYS  30 -10.863   2.745   0.334
  211    HG2  LYS  30           1HG      LYS  30 -10.224   1.769   2.467
  212    HG3  LYS  30           2HG      LYS  30  -8.534   1.637   1.962
  213    HD2  LYS  30           1HD      LYS  30  -8.396   4.109   1.746
  214    HD3  LYS  30           2HD      LYS  30 -10.096   4.242   2.254
  215    HE2  LYS  30           1HE      LYS  30  -9.514   3.118   4.408
  216    HE3  LYS  30           2HE      LYS  30  -7.822   3.045   3.904
  217    HZ1  LYS  30           3HZ      LYS  30  -8.242   4.972   5.323
  218    HZ2  LYS  30           1HZ      LYS  30  -9.380   5.546   4.308
  219    HZ3  LYS  30           2HZ      LYS  30  -7.816   5.491   3.835
  220    H    THR  31           H        THR  31  -9.422   1.115  -2.677
  221    HA   THR  31           HA       THR  31 -12.163   1.424  -3.673
  222    HB   THR  31           HB       THR  31 -10.945   1.836  -5.825
  223    HG1  THR  31           1HG      THR  31  -8.639   2.094  -4.277
  224   HG21  THR  31          3HG2      THR  31 -10.165   3.582  -3.457
  225   HG22  THR  31          1HG2      THR  31 -11.632   3.723  -4.445
  226   HG23  THR  31          2HG2      THR  31 -10.047   4.045  -5.171
  227    H    ASN  32           H        ASN  32  -9.557  -0.974  -3.998
  228    HA   ASN  32           HA       ASN  32 -11.208  -2.535  -5.942
  229    HB2  ASN  32           1HB      ASN  32  -8.226  -2.504  -5.305
  230    HB3  ASN  32           2HB      ASN  32  -8.992  -3.698  -6.332
  231   HD21  ASN  32          1HD2      ASN  32  -8.656  -0.075  -6.080
  232   HD22  ASN  32          2HD2      ASN  32  -8.652   0.107  -7.822
  233    H    HIS  33           H        HIS  33  -9.937  -2.779  -2.658
  234    HA   HIS  33           HA       HIS  33 -10.945  -5.581  -2.477
  235    HB2  HIS  33           1HB      HIS  33  -8.348  -4.622  -1.251
  236    HB3  HIS  33           2HB      HIS  33  -8.955  -6.268  -1.359
  237    HD1  HIS  33           1HD      HIS  33  -9.395  -6.729  -4.379
  238    HD2  HIS  33           2HD      HIS  33  -6.308  -4.391  -2.759
  239    HE1  HIS  33           1HE      HIS  33  -7.571  -6.686  -6.143
  240    HA   PRO  34           HA       PRO  34 -11.890  -2.519   1.120
  241    HB2  PRO  34           1HB      PRO  34 -14.644  -2.325   0.984
  242    HB3  PRO  34           2HB      PRO  34 -13.499  -1.240   0.138
  243    HG2  PRO  34           1HG      PRO  34 -14.924  -3.684  -0.962
  244    HG3  PRO  34           2HG      PRO  34 -14.783  -2.055  -1.703
  245    HD2  PRO  34           1HD      PRO  34 -13.122  -4.048  -2.445
  246    HD3  PRO  34           2HD      PRO  34 -12.500  -2.383  -2.216
  247    H    GLU  35           H        GLU  35 -13.806  -5.404   0.194
  248    HA   GLU  35           HA       GLU  35 -14.522  -6.088   2.925
  249    HB2  GLU  35           1HB      GLU  35 -15.477  -8.085   1.971
  250    HB3  GLU  35           2HB      GLU  35 -15.921  -6.678   1.009
  251    HG2  GLU  35           1HG      GLU  35 -14.143  -7.275  -0.655
  252    HG3  GLU  35           2HG      GLU  35 -13.749  -8.703   0.304
  253    H    VAL  36           H        VAL  36 -11.568  -6.194   1.477
  254    HA   VAL  36           HA       VAL  36 -10.584  -8.589   2.954
  255    HB   VAL  36           HB       VAL  36  -8.965  -7.324   0.772
  256   HG11  VAL  36          1HG1      VAL  36  -8.094  -9.272   2.023
  257   HG12  VAL  36          2HG1      VAL  36  -9.534 -10.213   1.580
  258   HG13  VAL  36          3HG1      VAL  36  -8.382  -9.697   0.333
  259   HG21  VAL  36          3HG2      VAL  36 -10.056  -8.687  -0.984
  260   HG22  VAL  36          1HG2      VAL  36 -11.347  -9.123   0.155
  261   HG23  VAL  36          2HG2      VAL  36 -11.141  -7.439  -0.379
  262    H    SER  37           H        SER  37 -10.706  -5.299   3.221
  263    HA   SER  37           HA       SER  37  -8.037  -4.567   4.043
  264    HB2  SER  37           1HB      SER  37  -9.822  -3.031   3.152
  265    HB3  SER  37           2HB      SER  37 -10.676  -3.211   4.698
  266    HG   SER  37           HG       SER  37  -9.275  -1.374   4.718
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  23.708   3.441 -12.385
    2    H2   GLY   1           2H       GLY   1  23.319   2.171 -11.426
    3    H3   GLY   1           3H       GLY   1  24.890   2.553 -11.678
    4    HA2  GLY   1           1HA      GLY   1  24.629   4.660 -10.535
    5    HA3  GLY   1           2HA      GLY   1  22.932   4.230 -10.249
    6    H    SER   2           H        SER   2  23.267   4.390  -7.975
    7    HA   SER   2           HA       SER   2  25.230   2.930  -6.509
    8    HB2  SER   2           1HB      SER   2  22.526   3.965  -5.578
    9    HB3  SER   2           2HB      SER   2  23.893   3.510  -4.543
   10    HG   SER   2           HG       SER   2  23.808   5.779  -4.927
   11    H    SER   3           H        SER   3  25.071   1.097  -5.172
   12    HA   SER   3           HA       SER   3  23.695  -1.138  -6.277
   13    HB2  SER   3           1HB      SER   3  25.064  -0.907  -3.573
   14    HB3  SER   3           2HB      SER   3  24.714  -2.401  -4.463
   15    HG   SER   3           HG       SER   3  26.881  -1.696  -4.768
   16    H    GLY   4           H        GLY   4  22.570   1.117  -3.910
   17    HA2  GLY   4           1HA      GLY   4  19.953   0.044  -3.749
   18    HA3  GLY   4           2HA      GLY   4  20.835  -0.456  -2.302
   19    H    SER   5           H        SER   5  18.797   0.968  -1.665
   20    HA   SER   5           HA       SER   5  19.870   3.523  -0.678
   21    HB2  SER   5           1HB      SER   5  18.014   4.867  -1.427
   22    HB3  SER   5           2HB      SER   5  18.768   4.110  -2.835
   23    HG   SER   5           HG       SER   5  16.506   3.929  -2.949
   24    H    SER   6           H        SER   6  18.388   4.534   0.940
   25    HA   SER   6           HA       SER   6  17.487   2.546   2.846
   26    HB2  SER   6           1HB      SER   6  17.309   5.576   2.974
   27    HB3  SER   6           2HB      SER   6  17.148   4.446   4.330
   28    HG   SER   6           HG       SER   6  19.267   5.330   4.181
   29    H    GLY   7           H        GLY   7  15.785   3.885   0.270
   30    HA2  GLY   7           1HA      GLY   7  13.225   4.458   1.492
   31    HA3  GLY   7           2HA      GLY   7  13.561   4.279  -0.224
   32    H    ARG   8           H        ARG   8  11.209   3.407   0.677
   33    HA   ARG   8           HA       ARG   8  11.324   0.432   0.482
   34    HB2  ARG   8           1HB      ARG   8   9.475   1.914   2.412
   35    HB3  ARG   8           2HB      ARG   8   9.539   0.183   2.114
   36    HG2  ARG   8           1HG      ARG   8  10.781   0.201   4.012
   37    HG3  ARG   8           2HG      ARG   8  12.089   0.455   2.861
   38    HD2  ARG   8           1HD      ARG   8  11.583   3.023   3.271
   39    HD3  ARG   8           2HD      ARG   8  10.713   2.468   4.691
   40    HE   ARG   8           HE       ARG   8  13.607   2.533   4.218
   41   HH11  ARG   8          2HH1      ARG   8  11.196   1.060   6.309
   42   HH12  ARG   8          1HH1      ARG   8  12.374   0.701   7.542
   43   HH21  ARG   8          2HH2      ARG   8  15.018   2.057   5.798
   44   HH22  ARG   8          1HH2      ARG   8  14.497   1.256   7.257
   45    H    SER   9           H        SER   9   9.476  -0.566  -0.337
   46    HA   SER   9           HA       SER   9   7.421   1.115  -1.685
   47    HB2  SER   9           1HB      SER   9   7.432  -0.414  -3.601
   48    HB3  SER   9           2HB      SER   9   8.983   0.419  -3.410
   49    HG   SER   9           HG       SER   9   9.265  -1.823  -3.816
   50    H    TYR  10           H        TYR  10   5.477  -0.179  -2.280
   51    HA   TYR  10           HA       TYR  10   4.746  -2.038  -0.052
   52    HB2  TYR  10           1HB      TYR  10   3.091   0.209  -1.252
   53    HB3  TYR  10           2HB      TYR  10   2.638  -0.832   0.092
   54    HD1  TYR  10           1HD      TYR  10   3.614  -0.504   2.338
   55    HD2  TYR  10           2HD      TYR  10   4.800   1.976  -0.987
   56    HE1  TYR  10           1HE      TYR  10   4.823   1.024   3.898
   57    HE2  TYR  10           2HE      TYR  10   6.045   3.470   0.563
   58    HH   TYR  10           HH       TYR  10   6.649   3.883   2.738
   59    H    SER  11           H        SER  11   3.200  -3.644  -0.487
   60    HA   SER  11           HA       SER  11   2.621  -4.168  -3.381
   61    HB2  SER  11           1HB      SER  11   3.593  -6.182  -1.331
   62    HB3  SER  11           2HB      SER  11   3.134  -6.523  -3.010
   63    HG   SER  11           HG       SER  11   5.412  -6.270  -2.747
   64    H    CYS  12           H        CYS  12   0.643  -4.897  -3.880
   65    HA   CYS  12           HA       CYS  12  -1.498  -4.679  -2.103
   66    HB2  CYS  12           1HB      CYS  12  -1.685  -4.430  -4.494
   67    HB3  CYS  12           2HB      CYS  12  -1.277  -6.142  -4.737
   68    HA   PRO  13           HA       PRO  13  -1.331  -8.698  -0.049
   69    HB2  PRO  13           1HB      PRO  13  -3.581  -8.529   1.496
   70    HB3  PRO  13           2HB      PRO  13  -2.107  -7.565   1.813
   71    HG2  PRO  13           1HG      PRO  13  -4.607  -6.701   0.323
   72    HG3  PRO  13           2HG      PRO  13  -3.748  -5.839   1.638
   73    HD2  PRO  13           1HD      PRO  13  -3.335  -5.271  -1.002
   74    HD3  PRO  13           2HD      PRO  13  -2.008  -5.185   0.194
   75    H    VAL  14           H        VAL  14  -3.595  -7.805  -2.457
   76    HA   VAL  14           HA       VAL  14  -4.847 -10.543  -2.459
   77    HB   VAL  14           HB       VAL  14  -6.105  -7.909  -3.264
   78   HG11  VAL  14          1HG1      VAL  14  -8.208  -9.250  -3.454
   79   HG12  VAL  14          2HG1      VAL  14  -7.016  -9.697  -4.671
   80   HG13  VAL  14          3HG1      VAL  14  -7.256 -10.734  -3.245
   81   HG21  VAL  14          3HG2      VAL  14  -7.656  -8.406  -1.356
   82   HG22  VAL  14          1HG2      VAL  14  -6.624  -9.777  -0.908
   83   HG23  VAL  14          2HG2      VAL  14  -6.002  -8.115  -0.830
   84    H    CYS  15           H        CYS  15  -3.498  -7.986  -4.571
   85    HA   CYS  15           HA       CYS  15  -3.416  -9.999  -6.757
   86    HB2  CYS  15           1HB      CYS  15  -4.177  -8.551  -8.356
   87    HB3  CYS  15           2HB      CYS  15  -5.370  -8.569  -7.065
   88    H    GLU  16           H        GLU  16  -1.458  -8.696  -4.891
   89    HA   GLU  16           HA       GLU  16   0.772  -8.404  -4.765
   90    HB2  GLU  16           1HB      GLU  16   0.861  -9.831  -7.434
   91    HB3  GLU  16           2HB      GLU  16   2.154  -9.736  -6.254
   92    HG2  GLU  16           1HG      GLU  16  -0.498 -11.190  -5.908
   93    HG3  GLU  16           2HG      GLU  16   1.071 -11.916  -6.207
   94    H    LYS  17           H        LYS  17  -0.711  -6.389  -6.831
   95    HA   LYS  17           HA       LYS  17   1.414  -5.299  -8.403
   96    HB2  LYS  17           1HB      LYS  17  -1.200  -4.109  -7.412
   97    HB3  LYS  17           2HB      LYS  17  -0.115  -3.255  -8.521
   98    HG2  LYS  17           1HG      LYS  17  -0.328  -4.964 -10.214
   99    HG3  LYS  17           2HG      LYS  17  -1.159  -6.038  -9.094
  100    HD2  LYS  17           1HD      LYS  17  -3.015  -4.261  -8.945
  101    HD3  LYS  17           2HD      LYS  17  -2.206  -3.438 -10.282
  102    HE2  LYS  17           1HE      LYS  17  -4.019  -4.812 -11.136
  103    HE3  LYS  17           2HE      LYS  17  -2.476  -5.470 -11.693
  104    HZ1  LYS  17           3HZ      LYS  17  -4.056  -7.176 -10.816
  105    HZ2  LYS  17           1HZ      LYS  17  -3.938  -6.506  -9.314
  106    HZ3  LYS  17           2HZ      LYS  17  -2.633  -7.180 -10.003
  107    H    SER  18           H        SER  18   2.659  -3.518  -8.237
  108    HA   SER  18           HA       SER  18   3.589  -2.898  -5.503
  109    HB2  SER  18           1HB      SER  18   4.888  -2.298  -8.176
  110    HB3  SER  18           2HB      SER  18   5.615  -2.081  -6.573
  111    HG   SER  18           HG       SER  18   6.229  -4.071  -7.563
  112    H    PHE  19           H        PHE  19   3.717  -0.933  -4.591
  113    HA   PHE  19           HA       PHE  19   2.863   1.519  -6.055
  114    HB2  PHE  19           1HB      PHE  19   1.794   0.523  -3.384
  115    HB3  PHE  19           2HB      PHE  19   1.495   2.119  -4.053
  116    HD1  PHE  19           1HD      PHE  19   0.721  -1.486  -4.373
  117    HD2  PHE  19           2HD      PHE  19   0.018   2.443  -6.008
  118    HE1  PHE  19           1HE      PHE  19  -1.181  -2.374  -5.690
  119    HE2  PHE  19           2HE      PHE  19  -1.879   1.547  -7.334
  120    HZ   PHE  19           HZ       PHE  19  -2.467  -0.867  -7.194
  121    H    SER  20           H        SER  20   3.719   3.441  -5.326
  122    HA   SER  20           HA       SER  20   6.342   3.148  -4.110
  123    HB2  SER  20           1HB      SER  20   4.984   5.610  -5.255
  124    HB3  SER  20           2HB      SER  20   6.716   5.411  -4.919
  125    HG   SER  20           HG       SER  20   6.215   5.024  -7.130
  126    H    GLU  21           H        GLU  21   3.335   4.076  -2.739
  127    HA   GLU  21           HA       GLU  21   4.668   5.336  -0.392
  128    HB2  GLU  21           1HB      GLU  21   2.310   6.559  -1.872
  129    HB3  GLU  21           2HB      GLU  21   2.974   7.107  -0.335
  130    HG2  GLU  21           1HG      GLU  21   5.095   7.710  -1.432
  131    HG3  GLU  21           2HG      GLU  21   4.474   7.131  -2.986
  132    H    ASP  22           H        ASP  22   3.505   5.200   1.557
  133    HA   ASP  22           HA       ASP  22   1.759   2.948   1.791
  134    HB2  ASP  22           1HB      ASP  22   1.883   3.255   4.080
  135    HB3  ASP  22           2HB      ASP  22   3.418   3.897   3.522
  136    H    ARG  23           H        ARG  23   1.032   6.240   1.051
  137    HA   ARG  23           HA       ARG  23  -1.831   6.008   1.755
  138    HB2  ARG  23           1HB      ARG  23  -2.085   8.198   0.724
  139    HB3  ARG  23           2HB      ARG  23  -0.832   8.178   1.962
  140    HG2  ARG  23           1HG      ARG  23   0.928   8.173   0.233
  141    HG3  ARG  23           2HG      ARG  23  -0.291   8.072  -1.044
  142    HD2  ARG  23           1HD      ARG  23   0.507  10.361  -0.855
  143    HD3  ARG  23           2HD      ARG  23  -1.190  10.261  -0.413
  144    HE   ARG  23           HE       ARG  23  -0.693  10.867   1.770
  145   HH11  ARG  23          2HH1      ARG  23   2.410  10.269   0.161
  146   HH12  ARG  23          1HH1      ARG  23   3.287  10.957   1.504
  147   HH21  ARG  23          2HH2      ARG  23   0.530  11.706   3.400
  148   HH22  ARG  23          1HH2      ARG  23   2.263  11.740   3.266
  149    H    LEU  24           H        LEU  24   0.166   5.462  -1.095
  150    HA   LEU  24           HA       LEU  24  -2.079   5.299  -2.953
  151    HB2  LEU  24           1HB      LEU  24   0.815   4.367  -3.134
  152    HB3  LEU  24           2HB      LEU  24  -0.342   4.244  -4.452
  153    HG   LEU  24           HG       LEU  24   0.498   6.881  -3.177
  154   HD11  LEU  24          1HD1      LEU  24   2.371   5.774  -4.351
  155   HD12  LEU  24          2HD1      LEU  24   1.819   7.207  -5.225
  156   HD13  LEU  24          3HD1      LEU  24   1.358   5.589  -5.801
  157   HD21  LEU  24          3HD2      LEU  24  -0.502   7.877  -5.218
  158   HD22  LEU  24          1HD2      LEU  24  -1.708   7.060  -4.223
  159   HD23  LEU  24          2HD2      LEU  24  -1.099   6.274  -5.700
  160    H    ILE  25           H        ILE  25  -0.166   2.873  -1.095
  161    HA   ILE  25           HA       ILE  25  -1.634   0.646  -2.093
  162    HB   ILE  25           HB       ILE  25   0.589   0.620  -0.896
  163   HG12  ILE  25          1HG1      ILE  25   0.166  -1.502   0.372
  164   HG13  ILE  25          2HG1      ILE  25  -1.563  -1.315   0.053
  165   HG21  ILE  25          1HG2      ILE  25   0.707   0.510   1.501
  166   HG22  ILE  25          2HG2      ILE  25  -0.096   2.011   1.043
  167   HG23  ILE  25          3HG2      ILE  25  -1.055   0.645   1.664
  168   HD11  ILE  25          3HD1      ILE  25  -1.092  -1.411  -2.393
  169   HD12  ILE  25          1HD1      ILE  25   0.655  -1.528  -2.027
  170   HD13  ILE  25          2HD1      ILE  25  -0.460  -2.823  -1.541
  171    H    LYS  26           H        LYS  26  -2.304   2.801   0.691
  172    HA   LYS  26           HA       LYS  26  -4.646   1.413   1.635
  173    HB2  LYS  26           1HB      LYS  26  -3.755   4.319   1.833
  174    HB3  LYS  26           2HB      LYS  26  -5.248   3.723   2.566
  175    HG2  LYS  26           1HG      LYS  26  -4.047   2.145   3.960
  176    HG3  LYS  26           2HG      LYS  26  -2.520   2.518   3.161
  177    HD2  LYS  26           1HD      LYS  26  -2.764   4.928   3.987
  178    HD3  LYS  26           2HD      LYS  26  -4.207   4.407   4.868
  179    HE2  LYS  26           1HE      LYS  26  -2.465   4.343   6.476
  180    HE3  LYS  26           2HE      LYS  26  -2.758   2.661   6.020
  181    HZ1  LYS  26           3HZ      LYS  26  -0.850   3.063   4.360
  182    HZ2  LYS  26           1HZ      LYS  26  -0.426   2.944   5.952
  183    HZ3  LYS  26           2HZ      LYS  26  -0.480   4.394   5.207
  184    H    SER  27           H        SER  27  -4.369   4.142  -0.720
  185    HA   SER  27           HA       SER  27  -7.116   4.240  -1.405
  186    HB2  SER  27           1HB      SER  27  -4.659   4.808  -3.103
  187    HB3  SER  27           2HB      SER  27  -6.326   5.171  -3.593
  188    HG   SER  27           HG       SER  27  -5.303   6.972  -2.590
  189    H    HIS  28           H        HIS  28  -4.541   2.133  -2.854
  190    HA   HIS  28           HA       HIS  28  -6.291   0.898  -4.742
  191    HB2  HIS  28           1HB      HIS  28  -3.851   0.780  -4.908
  192    HB3  HIS  28           2HB      HIS  28  -3.761  -0.165  -3.422
  193    HD1  HIS  28           1HD      HIS  28  -5.512  -0.566  -6.887
  194    HD2  HIS  28           2HD      HIS  28  -3.697  -2.739  -3.779
  195    HE1  HIS  28           1HE      HIS  28  -5.531  -2.985  -7.641
  196    H    ILE  29           H        ILE  29  -5.398  -0.186  -1.420
  197    HA   ILE  29           HA       ILE  29  -7.032  -2.532  -1.449
  198    HB   ILE  29           HB       ILE  29  -6.022  -0.805   0.838
  199   HG12  ILE  29          1HG1      ILE  29  -5.136  -3.565  -0.151
  200   HG13  ILE  29          2HG1      ILE  29  -4.346  -2.067  -0.623
  201   HG21  ILE  29          1HG2      ILE  29  -7.432  -3.510   0.941
  202   HG22  ILE  29          2HG2      ILE  29  -6.606  -2.753   2.320
  203   HG23  ILE  29          3HG2      ILE  29  -8.028  -1.989   1.640
  204   HD11  ILE  29          3HD1      ILE  29  -3.043  -3.044   1.115
  205   HD12  ILE  29          1HD1      ILE  29  -3.819  -1.592   1.773
  206   HD13  ILE  29          2HD1      ILE  29  -4.438  -3.211   2.186
  207    H    LYS  30           H        LYS  30  -7.855   0.839  -0.501
  208    HA   LYS  30           HA       LYS  30 -10.538   0.169   0.366
  209    HB2  LYS  30           1HB      LYS  30  -9.179   2.785  -0.388
  210    HB3  LYS  30           2HB      LYS  30 -10.866   2.700   0.137
  211    HG2  LYS  30           1HG      LYS  30 -10.237   1.697   2.269
  212    HG3  LYS  30           2HG      LYS  30  -8.533   1.649   1.799
  213    HD2  LYS  30           1HD      LYS  30  -8.501   4.128   1.633
  214    HD3  LYS  30           2HD      LYS  30 -10.216   4.175   2.099
  215    HE2  LYS  30           1HE      LYS  30  -9.633   3.028   4.246
  216    HE3  LYS  30           2HE      LYS  30  -7.927   3.058   3.785
  217    HZ1  LYS  30           3HZ      LYS  30  -9.633   5.461   4.202
  218    HZ2  LYS  30           1HZ      LYS  30  -8.057   5.504   3.767
  219    HZ3  LYS  30           2HZ      LYS  30  -8.487   4.926   5.233
  220    H    THR  31           H        THR  31  -9.308   1.159  -2.846
  221    HA   THR  31           HA       THR  31 -12.000   1.422  -3.936
  222    HB   THR  31           HB       THR  31 -10.740   1.711  -6.072
  223    HG1  THR  31           1HG      THR  31  -8.441   1.929  -4.499
  224   HG21  THR  31          3HG2      THR  31 -11.374   3.678  -4.795
  225   HG22  THR  31          1HG2      THR  31  -9.766   3.911  -5.502
  226   HG23  THR  31          2HG2      THR  31  -9.933   3.531  -3.772
  227    H    ASN  32           H        ASN  32  -9.451  -1.058  -4.069
  228    HA   ASN  32           HA       ASN  32 -11.115  -2.653  -5.978
  229    HB2  ASN  32           1HB      ASN  32  -8.138  -2.624  -5.347
  230    HB3  ASN  32           2HB      ASN  32  -8.913  -3.867  -6.308
  231   HD21  ASN  32          2HD2      ASN  32  -8.541  -0.240  -6.251
  232   HD22  ASN  32          1HD2      ASN  32  -8.556  -0.152  -8.000
  233    H    HIS  33           H        HIS  33  -9.834  -2.856  -2.680
  234    HA   HIS  33           HA       HIS  33 -10.878  -5.641  -2.460
  235    HB2  HIS  33           1HB      HIS  33  -8.201  -4.760  -1.358
  236    HB3  HIS  33           2HB      HIS  33  -8.849  -6.393  -1.456
  237    HD1  HIS  33           1HD      HIS  33  -9.348  -6.963  -4.385
  238    HD2  HIS  33           2HD      HIS  33  -6.365  -4.331  -3.044
  239    HE1  HIS  33           1HE      HIS  33  -7.657  -6.823  -6.276
  240    HA   PRO  34           HA       PRO  34 -11.486  -2.694   1.320
  241    HB2  PRO  34           1HB      PRO  34 -14.218  -2.296   1.331
  242    HB3  PRO  34           2HB      PRO  34 -13.049  -1.250   0.469
  243    HG2  PRO  34           1HG      PRO  34 -14.668  -3.562  -0.654
  244    HG3  PRO  34           2HG      PRO  34 -14.496  -1.903  -1.323
  245    HD2  PRO  34           1HD      PRO  34 -12.981  -3.926  -2.266
  246    HD3  PRO  34           2HD      PRO  34 -12.259  -2.309  -1.990
  247    H    GLU  35           H        GLU  35 -13.101  -5.600   0.255
  248    HA   GLU  35           HA       GLU  35 -14.147  -6.490   2.781
  249    HB2  GLU  35           1HB      GLU  35 -14.403  -8.631   1.677
  250    HB3  GLU  35           2HB      GLU  35 -14.929  -7.326   0.617
  251    HG2  GLU  35           1HG      GLU  35 -12.758  -7.460  -0.617
  252    HG3  GLU  35           2HG      GLU  35 -12.243  -8.774   0.439
  253    H    VAL  36           H        VAL  36 -10.842  -6.295   1.747
  254    HA   VAL  36           HA       VAL  36  -9.940  -8.605   3.296
  255    HB   VAL  36           HB       VAL  36  -8.930  -7.589   1.125
  256   HG11  VAL  36          1HG1      VAL  36  -8.488  -5.306   2.145
  257   HG12  VAL  36          2HG1      VAL  36  -7.218  -6.060   3.123
  258   HG13  VAL  36          3HG1      VAL  36  -7.101  -6.074   1.353
  259   HG21  VAL  36          3HG2      VAL  36  -8.061  -9.566   2.258
  260   HG22  VAL  36          1HG2      VAL  36  -6.749  -8.550   1.642
  261   HG23  VAL  36          2HG2      VAL  36  -7.127  -8.544   3.375
  262    H    SER  37           H        SER  37 -10.597  -5.328   4.065
  263    HA   SER  37           HA       SER  37  -8.740  -4.922   6.236
  264    HB2  SER  37           1HB      SER  37 -11.359  -3.530   5.558
  265    HB3  SER  37           2HB      SER  37 -10.167  -2.958   6.738
  266    HG   SER  37           HG       SER  37  -8.627  -2.813   5.043
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  26.499  -7.905  -9.928
    2    H2   GLY   1           2H       GLY   1  26.031  -8.743  -8.600
    3    H3   GLY   1           3H       GLY   1  27.090  -7.503  -8.453
    4    HA2  GLY   1           1HA      GLY   1  25.420  -5.909  -9.148
    5    HA3  GLY   1           2HA      GLY   1  24.274  -7.254  -9.286
    6    H    SER   2           H        SER   2  22.887  -6.240  -7.746
    7    HA   SER   2           HA       SER   2  23.756  -5.719  -5.009
    8    HB2  SER   2           1HB      SER   2  21.366  -5.213  -4.641
    9    HB3  SER   2           2HB      SER   2  22.055  -4.328  -6.011
   10    HG   SER   2           HG       SER   2  19.986  -5.269  -6.470
   11    H    SER   3           H        SER   3  22.720  -6.694  -3.124
   12    HA   SER   3           HA       SER   3  22.965  -9.549  -3.114
   13    HB2  SER   3           1HB      SER   3  21.855  -7.718  -0.957
   14    HB3  SER   3           2HB      SER   3  22.459  -9.370  -0.739
   15    HG   SER   3           HG       SER   3  24.044  -7.795  -0.204
   16    H    GLY   4           H        GLY   4  20.182  -7.594  -3.753
   17    HA2  GLY   4           1HA      GLY   4  18.456  -9.691  -4.410
   18    HA3  GLY   4           2HA      GLY   4  18.101  -9.297  -2.727
   19    H    SER   5           H        SER   5  16.069  -9.004  -4.325
   20    HA   SER   5           HA       SER   5  15.870  -6.376  -5.573
   21    HB2  SER   5           1HB      SER   5  13.753  -8.521  -5.236
   22    HB3  SER   5           2HB      SER   5  13.687  -7.123  -6.326
   23    HG   SER   5           HG       SER   5  14.369  -9.034  -7.405
   24    H    SER   6           H        SER   6  16.161  -6.418  -2.586
   25    HA   SER   6           HA       SER   6  13.613  -5.698  -1.412
   26    HB2  SER   6           1HB      SER   6  15.005  -5.142   0.577
   27    HB3  SER   6           2HB      SER   6  15.242  -6.781  -0.045
   28    HG   SER   6           HG       SER   6  17.231  -5.719   0.447
   29    H    GLY   7           H        GLY   7  13.098  -3.695  -0.380
   30    HA2  GLY   7           1HA      GLY   7  14.381  -1.201  -0.761
   31    HA3  GLY   7           2HA      GLY   7  13.229  -1.420  -2.082
   32    H    ARG   8           H        ARG   8  12.583   0.650  -0.777
   33    HA   ARG   8           HA       ARG   8  10.907   0.154   1.608
   34    HB2  ARG   8           1HB      ARG   8  11.600   2.711   0.107
   35    HB3  ARG   8           2HB      ARG   8  10.626   2.632   1.580
   36    HG2  ARG   8           1HG      ARG   8  12.534   1.577   2.790
   37    HG3  ARG   8           2HG      ARG   8  13.536   1.752   1.338
   38    HD2  ARG   8           1HD      ARG   8  13.215   4.201   1.397
   39    HD3  ARG   8           2HD      ARG   8  12.210   4.057   2.837
   40    HE   ARG   8           HE       ARG   8  15.138   3.831   2.649
   41   HH11  ARG   8          2HH1      ARG   8  12.407   3.216   4.765
   42   HH12  ARG   8          1HH1      ARG   8  13.413   3.163   6.187
   43   HH21  ARG   8          2HH2      ARG   8  16.350   3.749   4.502
   44   HH22  ARG   8          1HH2      ARG   8  15.583   3.456   6.035
   45    H    SER   9           H        SER   9  10.264  -0.071  -1.667
   46    HA   SER   9           HA       SER   9   7.663   1.086  -1.866
   47    HB2  SER   9           1HB      SER   9   8.809  -1.254  -3.428
   48    HB3  SER   9           2HB      SER   9   7.440  -0.230  -3.902
   49    HG   SER   9           HG       SER   9   9.414   0.424  -4.899
   50    H    TYR  10           H        TYR  10   5.641   0.016  -2.179
   51    HA   TYR  10           HA       TYR  10   5.129  -2.189  -0.232
   52    HB2  TYR  10           1HB      TYR  10   3.278  -0.013  -1.277
   53    HB3  TYR  10           2HB      TYR  10   2.892  -1.216  -0.058
   54    HD1  TYR  10           2HD      TYR  10   4.901   1.832  -0.772
   55    HD2  TYR  10           1HD      TYR  10   3.605  -0.959   2.251
   56    HE1  TYR  10           2HE      TYR  10   5.858   3.303   0.990
   57    HE2  TYR  10           1HE      TYR  10   4.508   0.550   4.020
   58    HH   TYR  10           HH       TYR  10   6.199   3.612   3.238
   59    H    SER  11           H        SER  11   3.512  -3.804  -0.806
   60    HA   SER  11           HA       SER  11   2.548  -3.797  -3.580
   61    HB2  SER  11           1HB      SER  11   3.103  -6.146  -3.989
   62    HB3  SER  11           2HB      SER  11   4.533  -5.117  -3.847
   63    HG   SER  11           HG       SER  11   4.857  -5.895  -1.751
   64    H    CYS  12           H        CYS  12   0.631  -4.738  -3.955
   65    HA   CYS  12           HA       CYS  12  -1.265  -4.671  -1.959
   66    HB2  CYS  12           1HB      CYS  12  -1.726  -4.337  -4.288
   67    HB3  CYS  12           2HB      CYS  12  -1.303  -6.016  -4.662
   68    HA   PRO  13           HA       PRO  13  -0.837  -8.760  -0.074
   69    HB2  PRO  13           1HB      PRO  13  -2.892  -8.667   1.725
   70    HB3  PRO  13           2HB      PRO  13  -1.392  -7.710   1.909
   71    HG2  PRO  13           1HG      PRO  13  -4.049  -6.798   0.766
   72    HG3  PRO  13           2HG      PRO  13  -3.037  -5.982   1.995
   73    HD2  PRO  13           1HD      PRO  13  -2.948  -5.316  -0.654
   74    HD3  PRO  13           2HD      PRO  13  -1.492  -5.258   0.382
   75    H    VAL  14           H        VAL  14  -3.377  -7.757  -2.143
   76    HA   VAL  14           HA       VAL  14  -4.675 -10.464  -2.102
   77    HB   VAL  14           HB       VAL  14  -5.869  -7.864  -3.087
   78   HG11  VAL  14          1HG1      VAL  14  -8.013  -9.125  -2.942
   79   HG12  VAL  14          2HG1      VAL  14  -6.914  -9.831  -4.125
   80   HG13  VAL  14          3HG1      VAL  14  -7.107 -10.594  -2.530
   81   HG21  VAL  14          3HG2      VAL  14  -7.297  -7.994  -1.036
   82   HG22  VAL  14          1HG2      VAL  14  -6.255  -9.300  -0.429
   83   HG23  VAL  14          2HG2      VAL  14  -5.608  -7.662  -0.681
   84    H    CYS  15           H        CYS  15  -3.293  -7.996  -4.295
   85    HA   CYS  15           HA       CYS  15  -3.258 -10.045  -6.448
   86    HB2  CYS  15           1HB      CYS  15  -4.135  -8.630  -8.043
   87    HB3  CYS  15           2HB      CYS  15  -5.276  -8.675  -6.702
   88    H    GLU  16           H        GLU  16  -1.281  -8.502  -4.695
   89    HA   GLU  16           HA       GLU  16   0.920  -8.045  -4.692
   90    HB2  GLU  16           1HB      GLU  16   0.951  -9.787  -7.168
   91    HB3  GLU  16           2HB      GLU  16   2.336  -9.401  -6.146
   92    HG2  GLU  16           1HG      GLU  16   1.194 -10.458  -4.198
   93    HG3  GLU  16           2HG      GLU  16  -0.135 -10.943  -5.255
   94    H    LYS  17           H        LYS  17  -0.762  -6.287  -6.803
   95    HA   LYS  17           HA       LYS  17   1.233  -5.080  -8.474
   96    HB2  LYS  17           1HB      LYS  17  -1.381  -4.019  -7.337
   97    HB3  LYS  17           2HB      LYS  17  -0.394  -3.108  -8.491
   98    HG2  LYS  17           1HG      LYS  17  -0.632  -4.775 -10.203
   99    HG3  LYS  17           2HG      LYS  17  -1.285  -5.941  -9.060
  100    HD2  LYS  17           1HD      LYS  17  -3.262  -4.298  -8.729
  101    HD3  LYS  17           2HD      LYS  17  -2.625  -3.421 -10.121
  102    HE2  LYS  17           1HE      LYS  17  -4.391  -4.921 -10.843
  103    HE3  LYS  17           2HE      LYS  17  -2.853  -5.478 -11.513
  104    HZ1  LYS  17           3HZ      LYS  17  -2.773  -7.187  -9.820
  105    HZ2  LYS  17           1HZ      LYS  17  -4.256  -7.275 -10.512
  106    HZ3  LYS  17           2HZ      LYS  17  -4.056  -6.593  -9.025
  107    H    SER  18           H        SER  18   2.507  -3.320  -8.275
  108    HA   SER  18           HA       SER  18   3.405  -2.780  -5.521
  109    HB2  SER  18           1HB      SER  18   5.475  -1.952  -6.587
  110    HB3  SER  18           2HB      SER  18   5.078  -3.639  -6.955
  111    HG   SER  18           HG       SER  18   5.722  -2.473  -8.831
  112    H    PHE  19           H        PHE  19   3.840  -0.826  -4.622
  113    HA   PHE  19           HA       PHE  19   2.869   1.674  -5.919
  114    HB2  PHE  19           1HB      PHE  19   1.982   0.634  -3.200
  115    HB3  PHE  19           2HB      PHE  19   1.605   2.219  -3.854
  116    HD1  PHE  19           2HD      PHE  19   0.140   2.428  -5.904
  117    HD2  PHE  19           1HD      PHE  19   0.717  -1.330  -3.865
  118    HE1  PHE  19           2HE      PHE  19  -1.796   1.466  -7.126
  119    HE2  PHE  19           1HE      PHE  19  -1.210  -2.287  -5.097
  120    HZ   PHE  19           HZ       PHE  19  -2.448  -0.904  -6.751
  121    H    SER  20           H        SER  20   3.895   3.531  -5.256
  122    HA   SER  20           HA       SER  20   6.484   3.191  -4.019
  123    HB2  SER  20           1HB      SER  20   5.082   5.739  -4.900
  124    HB3  SER  20           2HB      SER  20   6.816   5.533  -4.589
  125    HG   SER  20           HG       SER  20   6.317   5.378  -6.827
  126    H    GLU  21           H        GLU  21   3.419   4.119  -2.671
  127    HA   GLU  21           HA       GLU  21   4.681   5.098  -0.158
  128    HB2  GLU  21           1HB      GLU  21   2.563   6.599  -1.743
  129    HB3  GLU  21           2HB      GLU  21   3.081   6.990  -0.105
  130    HG2  GLU  21           1HG      GLU  21   5.364   7.469  -0.912
  131    HG3  GLU  21           2HG      GLU  21   4.883   7.052  -2.563
  132    H    ASP  22           H        ASP  22   3.391   4.942   1.692
  133    HA   ASP  22           HA       ASP  22   1.686   2.710   1.889
  134    HB2  ASP  22           1HB      ASP  22   3.030   3.648   3.717
  135    HB3  ASP  22           2HB      ASP  22   2.030   5.100   3.736
  136    H    ARG  23           H        ARG  23   0.837   6.147   1.494
  137    HA   ARG  23           HA       ARG  23  -2.021   5.795   1.790
  138    HB2  ARG  23           1HB      ARG  23  -2.211   8.039   0.817
  139    HB3  ARG  23           2HB      ARG  23  -1.056   7.958   2.145
  140    HG2  ARG  23           1HG      ARG  23   0.830   7.970   0.554
  141    HG3  ARG  23           2HG      ARG  23  -0.299   7.994  -0.815
  142    HD2  ARG  23           1HD      ARG  23  -1.153  10.162  -0.156
  143    HD3  ARG  23           2HD      ARG  23  -0.206  10.135   1.347
  144    HE   ARG  23           HE       ARG  23   1.793   9.879  -0.437
  145   HH11  ARG  23          2HH1      ARG  23  -0.792  12.266  -0.489
  146   HH12  ARG  23          1HH1      ARG  23   0.205  13.397  -1.364
  147   HH21  ARG  23          2HH2      ARG  23   2.905  11.224  -1.480
  148   HH22  ARG  23          1HH2      ARG  23   2.315  12.826  -1.934
  149    H    LEU  24           H        LEU  24   0.104   5.300  -0.971
  150    HA   LEU  24           HA       LEU  24  -2.068   5.329  -2.937
  151    HB2  LEU  24           1HB      LEU  24   0.806   4.344  -3.102
  152    HB3  LEU  24           2HB      LEU  24  -0.311   4.395  -4.459
  153    HG   LEU  24           HG       LEU  24   0.603   6.848  -2.895
  154   HD11  LEU  24          1HD1      LEU  24   2.441   5.788  -4.167
  155   HD12  LEU  24          2HD1      LEU  24   1.969   7.337  -4.877
  156   HD13  LEU  24          3HD1      LEU  24   1.445   5.818  -5.639
  157   HD21  LEU  24          3HD2      LEU  24  -1.578   7.238  -3.939
  158   HD22  LEU  24          1HD2      LEU  24  -0.981   6.590  -5.485
  159   HD23  LEU  24          2HD2      LEU  24  -0.323   8.104  -4.826
  160    H    ILE  25           H        ILE  25  -0.206   2.737  -1.258
  161    HA   ILE  25           HA       ILE  25  -1.827   0.642  -2.419
  162    HB   ILE  25           HB       ILE  25   0.381   0.164  -1.558
  163   HG12  ILE  25          1HG1      ILE  25  -1.781  -1.382  -0.068
  164   HG13  ILE  25          2HG1      ILE  25  -1.393  -1.584  -1.779
  165   HG21  ILE  25          1HG2      ILE  25  -0.760   0.543   1.242
  166   HG22  ILE  25          2HG2      ILE  25   0.883   0.016   0.828
  167   HG23  ILE  25          3HG2      ILE  25   0.382   1.643   0.421
  168   HD11  ILE  25          3HD1      ILE  25   0.903  -2.289  -1.172
  169   HD12  ILE  25          1HD1      ILE  25   0.484  -2.154   0.557
  170   HD13  ILE  25          2HD1      ILE  25  -0.351  -3.326  -0.454
  171    H    LYS  26           H        LYS  26  -2.205   2.546   0.641
  172    HA   LYS  26           HA       LYS  26  -4.565   1.160   1.511
  173    HB2  LYS  26           1HB      LYS  26  -3.516   3.969   1.974
  174    HB3  LYS  26           2HB      LYS  26  -5.110   3.481   2.561
  175    HG2  LYS  26           1HG      LYS  26  -4.147   1.604   3.810
  176    HG3  LYS  26           2HG      LYS  26  -2.520   2.031   3.251
  177    HD2  LYS  26           1HD      LYS  26  -2.624   4.175   4.435
  178    HD3  LYS  26           2HD      LYS  26  -4.331   3.923   4.817
  179    HE2  LYS  26           1HE      LYS  26  -3.081   3.466   6.800
  180    HE3  LYS  26           2HE      LYS  26  -3.748   1.943   6.202
  181    HZ1  LYS  26           3HZ      LYS  26  -1.544   1.438   5.271
  182    HZ2  LYS  26           1HZ      LYS  26  -1.397   1.749   6.869
  183    HZ3  LYS  26           2HZ      LYS  26  -0.953   2.873   5.762
  184    H    SER  27           H        SER  27  -4.341   3.999  -0.722
  185    HA   SER  27           HA       SER  27  -7.153   4.097  -1.238
  186    HB2  SER  27           1HB      SER  27  -4.771   4.951  -2.905
  187    HB3  SER  27           2HB      SER  27  -6.460   5.218  -3.392
  188    HG   SER  27           HG       SER  27  -5.564   6.998  -2.200
  189    H    HIS  28           H        HIS  28  -4.619   2.089  -2.841
  190    HA   HIS  28           HA       HIS  28  -6.399   0.898  -4.743
  191    HB2  HIS  28           1HB      HIS  28  -3.994   0.739  -4.967
  192    HB3  HIS  28           2HB      HIS  28  -3.851  -0.131  -3.447
  193    HD1  HIS  28           1HD      HIS  28  -5.601  -0.744  -6.873
  194    HD2  HIS  28           2HD      HIS  28  -3.808  -2.706  -3.616
  195    HE1  HIS  28           1HE      HIS  28  -5.579  -3.206  -7.481
  196    H    ILE  29           H        ILE  29  -5.494  -0.198  -1.436
  197    HA   ILE  29           HA       ILE  29  -7.179  -2.508  -1.416
  198    HB   ILE  29           HB       ILE  29  -6.103  -0.776   0.836
  199   HG12  ILE  29          1HG1      ILE  29  -5.284  -3.550  -0.171
  200   HG13  ILE  29          2HG1      ILE  29  -4.454  -2.061  -0.600
  201   HG21  ILE  29          1HG2      ILE  29  -8.135  -1.921   1.665
  202   HG22  ILE  29          2HG2      ILE  29  -7.526  -3.475   1.052
  203   HG23  ILE  29          3HG2      ILE  29  -6.705  -2.629   2.381
  204   HD11  ILE  29          3HD1      ILE  29  -4.585  -3.285   2.171
  205   HD12  ILE  29          1HD1      ILE  29  -3.184  -3.115   1.109
  206   HD13  ILE  29          2HD1      ILE  29  -3.929  -1.666   1.813
  207    H    LYS  30           H        LYS  30  -7.933   0.887  -0.494
  208    HA   LYS  30           HA       LYS  30 -10.637   0.332   0.358
  209    HB2  LYS  30           1HB      LYS  30  -9.232   2.861  -0.569
  210    HB3  LYS  30           2HB      LYS  30 -10.924   2.847  -0.059
  211    HG2  LYS  30           1HG      LYS  30 -10.315   1.948   2.145
  212    HG3  LYS  30           2HG      LYS  30  -8.609   1.945   1.713
  213    HD2  LYS  30           1HD      LYS  30 -10.403   4.407   1.892
  214    HD3  LYS  30           2HD      LYS  30  -9.225   3.886   3.106
  215    HE2  LYS  30           1HE      LYS  30  -7.395   4.146   1.429
  216    HE3  LYS  30           2HE      LYS  30  -8.577   4.722   0.245
  217    HZ1  LYS  30           3HZ      LYS  30  -7.963   6.074   2.817
  218    HZ2  LYS  30           1HZ      LYS  30  -9.063   6.591   1.727
  219    HZ3  LYS  30           2HZ      LYS  30  -7.480   6.577   1.338
  220    H    THR  31           H        THR  31  -9.365   1.119  -2.896
  221    HA   THR  31           HA       THR  31 -12.058   1.368  -4.008
  222    HB   THR  31           HB       THR  31 -10.767   1.630  -6.139
  223    HG1  THR  31           1HG      THR  31  -8.503   1.941  -4.537
  224   HG21  THR  31          3HG2      THR  31  -9.849   3.858  -5.591
  225   HG22  THR  31          1HG2      THR  31 -10.026   3.503  -3.857
  226   HG23  THR  31          2HG2      THR  31 -11.460   3.608  -4.897
  227    H    ASN  32           H        ASN  32  -9.508  -1.106  -4.054
  228    HA   ASN  32           HA       ASN  32 -11.130  -2.754  -5.952
  229    HB2  ASN  32           1HB      ASN  32  -8.167  -2.723  -5.250
  230    HB3  ASN  32           2HB      ASN  32  -8.927  -3.969  -6.218
  231   HD21  ASN  32          1HD2      ASN  32  -8.529  -0.347  -6.185
  232   HD22  ASN  32          2HD2      ASN  32  -8.501  -0.272  -7.935
  233    H    HIS  33           H        HIS  33  -9.936  -2.835  -2.625
  234    HA   HIS  33           HA       HIS  33 -10.953  -5.622  -2.329
  235    HB2  HIS  33           1HB      HIS  33  -8.355  -4.609  -1.149
  236    HB3  HIS  33           2HB      HIS  33  -8.964  -6.259  -1.165
  237    HD1  HIS  33           1HD      HIS  33  -9.414  -6.924  -4.123
  238    HD2  HIS  33           2HD      HIS  33  -6.363  -4.401  -2.724
  239    HE1  HIS  33           1HE      HIS  33  -7.632  -6.936  -5.931
  240    HA   PRO  34           HA       PRO  34 -11.898  -2.494   1.201
  241    HB2  PRO  34           1HB      PRO  34 -14.606  -2.083   0.974
  242    HB3  PRO  34           2HB      PRO  34 -13.373  -1.132   0.093
  243    HG2  PRO  34           1HG      PRO  34 -14.931  -3.543  -0.909
  244    HG3  PRO  34           2HG      PRO  34 -14.719  -1.950  -1.715
  245    HD2  PRO  34           1HD      PRO  34 -13.136  -4.036  -2.368
  246    HD3  PRO  34           2HD      PRO  34 -12.449  -2.389  -2.197
  247    H    GLU  35           H        GLU  35 -13.556  -5.451   0.225
  248    HA   GLU  35           HA       GLU  35 -14.470  -6.028   2.978
  249    HB2  GLU  35           1HB      GLU  35 -15.620  -7.909   2.029
  250    HB3  GLU  35           2HB      GLU  35 -15.977  -6.449   1.112
  251    HG2  GLU  35           1HG      GLU  35 -14.319  -7.160  -0.631
  252    HG3  GLU  35           2HG      GLU  35 -14.022  -8.640   0.282
  253    H    VAL  36           H        VAL  36 -11.523  -6.181   1.663
  254    HA   VAL  36           HA       VAL  36 -10.766  -8.830   2.819
  255    HB   VAL  36           HB       VAL  36  -9.108  -7.565   0.675
  256   HG11  VAL  36          1HG1      VAL  36  -9.957 -10.441   1.244
  257   HG12  VAL  36          2HG1      VAL  36  -8.798  -9.927   0.002
  258   HG13  VAL  36          3HG1      VAL  36  -8.407  -9.709   1.706
  259   HG21  VAL  36          3HG2      VAL  36 -11.339  -7.359  -0.366
  260   HG22  VAL  36          1HG2      VAL  36 -10.403  -8.637  -1.134
  261   HG23  VAL  36          2HG2      VAL  36 -11.681  -9.060   0.024
  262    H    SER  37           H        SER  37 -10.503  -5.635   3.538
  263    HA   SER  37           HA       SER  37  -7.694  -5.385   4.216
  264    HB2  SER  37           1HB      SER  37  -8.402  -3.277   5.290
  265    HB3  SER  37           2HB      SER  37  -8.935  -3.427   3.606
  266    HG   SER  37           HG       SER  37 -10.635  -2.687   5.013
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   8.235  -3.018 -11.421
    2    H2   GLY   1           2H       GLY   1   9.495  -2.498 -10.512
    3    H3   GLY   1           3H       GLY   1   8.092  -1.652 -10.525
    4    HA2  GLY   1           1HA      GLY   1   6.910  -3.472  -9.470
    5    HA3  GLY   1           2HA      GLY   1   8.435  -4.373  -9.439
    6    H    SER   2           H        SER   2   9.045  -4.464  -7.343
    7    HA   SER   2           HA       SER   2   8.597  -2.326  -5.419
    8    HB2  SER   2           1HB      SER   2   9.742  -3.868  -3.876
    9    HB3  SER   2           2HB      SER   2   8.440  -4.662  -4.771
   10    HG   SER   2           HG       SER   2  10.327  -5.950  -4.741
   11    H    SER   3           H        SER   3  10.422  -1.578  -3.990
   12    HA   SER   3           HA       SER   3  12.590  -0.381  -5.568
   13    HB2  SER   3           1HB      SER   3  11.964  -0.198  -2.603
   14    HB3  SER   3           2HB      SER   3  13.097   0.821  -3.499
   15    HG   SER   3           HG       SER   3  10.776   1.531  -3.075
   16    H    GLY   4           H        GLY   4  12.230  -3.311  -3.847
   17    HA2  GLY   4           1HA      GLY   4  13.712  -4.984  -3.259
   18    HA3  GLY   4           2HA      GLY   4  14.895  -4.186  -4.293
   19    H    SER   5           H        SER   5  16.684  -4.432  -2.983
   20    HA   SER   5           HA       SER   5  16.773  -3.824  -0.171
   21    HB2  SER   5           1HB      SER   5  19.050  -3.978  -2.182
   22    HB3  SER   5           2HB      SER   5  19.188  -4.078  -0.415
   23    HG   SER   5           HG       SER   5  19.175  -6.154  -1.403
   24    H    SER   6           H        SER   6  16.695  -1.674  -2.848
   25    HA   SER   6           HA       SER   6  18.517   0.326  -1.793
   26    HB2  SER   6           1HB      SER   6  16.569   0.488  -4.116
   27    HB3  SER   6           2HB      SER   6  17.901   1.605  -3.774
   28    HG   SER   6           HG       SER   6  18.477   0.006  -5.328
   29    H    GLY   7           H        GLY   7  15.213  -0.277  -1.055
   30    HA2  GLY   7           1HA      GLY   7  14.974   1.858   0.756
   31    HA3  GLY   7           2HA      GLY   7  14.267   2.429  -0.755
   32    H    ARG   8           H        ARG   8  12.492   2.578   0.953
   33    HA   ARG   8           HA       ARG   8  10.988   0.299   1.805
   34    HB2  ARG   8           1HB      ARG   8  10.763   2.499   2.842
   35    HB3  ARG   8           2HB      ARG   8  10.239   3.210   1.320
   36    HG2  ARG   8           1HG      ARG   8   8.353   2.979   2.777
   37    HG3  ARG   8           2HG      ARG   8   8.145   1.927   1.389
   38    HD2  ARG   8           1HD      ARG   8   7.373   0.749   3.334
   39    HD3  ARG   8           2HD      ARG   8   8.847  -0.029   2.794
   40    HE   ARG   8           HE       ARG   8   9.942   0.629   4.740
   41   HH11  ARG   8          2HH1      ARG   8   6.871   2.373   4.676
   42   HH12  ARG   8          1HH1      ARG   8   7.009   2.797   6.359
   43   HH21  ARG   8          2HH2      ARG   8  10.035   1.258   6.853
   44   HH22  ARG   8          1HH2      ARG   8   8.750   2.204   7.542
   45    H    SER   9           H        SER   9   9.431  -0.879   0.921
   46    HA   SER   9           HA       SER   9   8.352  -0.251  -1.802
   47    HB2  SER   9           1HB      SER   9   9.025  -3.011  -0.702
   48    HB3  SER   9           2HB      SER   9   8.327  -2.639  -2.285
   49    HG   SER   9           HG       SER   9  10.916  -2.001  -1.308
   50    H    TYR  10           H        TYR  10   6.210  -0.870  -2.193
   51    HA   TYR  10           HA       TYR  10   4.666  -2.194  -0.022
   52    HB2  TYR  10           1HB      TYR  10   3.660   0.170  -1.639
   53    HB3  TYR  10           2HB      TYR  10   2.767  -0.728  -0.428
   54    HD1  TYR  10           1HD      TYR  10   3.419  -0.536   2.014
   55    HD2  TYR  10           2HD      TYR  10   5.170   1.939  -1.056
   56    HE1  TYR  10           1HE      TYR  10   4.247   1.049   3.755
   57    HE2  TYR  10           2HE      TYR  10   5.994   3.517   0.682
   58    HH   TYR  10           HH       TYR  10   6.062   4.020   2.919
   59    H    SER  11           H        SER  11   3.340  -3.817  -0.790
   60    HA   SER  11           HA       SER  11   2.484  -3.760  -3.595
   61    HB2  SER  11           1HB      SER  11   3.055  -6.118  -3.999
   62    HB3  SER  11           2HB      SER  11   4.473  -5.080  -3.801
   63    HG   SER  11           HG       SER  11   4.680  -7.039  -2.625
   64    H    CYS  12           H        CYS  12   0.545  -4.653  -4.013
   65    HA   CYS  12           HA       CYS  12  -1.358  -4.572  -2.035
   66    HB2  CYS  12           1HB      CYS  12  -1.807  -4.211  -4.356
   67    HB3  CYS  12           2HB      CYS  12  -1.411  -5.894  -4.747
   68    HA   PRO  13           HA       PRO  13  -1.070  -8.641  -0.109
   69    HB2  PRO  13           1HB      PRO  13  -3.257  -8.553   1.536
   70    HB3  PRO  13           2HB      PRO  13  -1.772  -7.599   1.827
   71    HG2  PRO  13           1HG      PRO  13  -4.335  -6.683   0.480
   72    HG3  PRO  13           2HG      PRO  13  -3.423  -5.871   1.790
   73    HD2  PRO  13           1HD      PRO  13  -3.114  -5.180  -0.824
   74    HD3  PRO  13           2HD      PRO  13  -1.728  -5.175   0.306
   75    H    VAL  14           H        VAL  14  -3.532  -7.683  -2.317
   76    HA   VAL  14           HA       VAL  14  -4.730 -10.441  -2.356
   77    HB   VAL  14           HB       VAL  14  -5.980  -7.831  -3.241
   78   HG11  VAL  14          1HG1      VAL  14  -6.898  -9.696  -4.541
   79   HG12  VAL  14          2HG1      VAL  14  -7.133 -10.648  -3.057
   80   HG13  VAL  14          3HG1      VAL  14  -8.084  -9.176  -3.346
   81   HG21  VAL  14          3HG2      VAL  14  -5.852  -7.903  -0.803
   82   HG22  VAL  14          1HG2      VAL  14  -7.512  -8.215  -1.302
   83   HG23  VAL  14          2HG2      VAL  14  -6.482  -9.566  -0.785
   84    H    CYS  15           H        CYS  15  -3.370  -7.898  -4.479
   85    HA   CYS  15           HA       CYS  15  -3.267  -9.927  -6.661
   86    HB2  CYS  15           1HB      CYS  15  -3.931  -8.379  -8.285
   87    HB3  CYS  15           2HB      CYS  15  -5.187  -8.499  -7.054
   88    H    GLU  16           H        GLU  16  -1.329  -8.314  -4.756
   89    HA   GLU  16           HA       GLU  16   0.861  -7.810  -4.680
   90    HB2  GLU  16           1HB      GLU  16   1.091  -9.697  -7.037
   91    HB3  GLU  16           2HB      GLU  16   2.399  -9.186  -5.969
   92    HG2  GLU  16           1HG      GLU  16   1.202 -10.179  -4.024
   93    HG3  GLU  16           2HG      GLU  16  -0.051 -10.780  -5.114
   94    H    LYS  17           H        LYS  17  -0.824  -6.192  -6.807
   95    HA   LYS  17           HA       LYS  17   1.008  -4.919  -8.558
   96    HB2  LYS  17           1HB      LYS  17  -1.452  -4.629  -8.585
   97    HB3  LYS  17           2HB      LYS  17  -1.376  -3.738  -7.061
   98    HG2  LYS  17           1HG      LYS  17  -0.094  -1.942  -8.111
   99    HG3  LYS  17           2HG      LYS  17   0.040  -2.869  -9.619
  100    HD2  LYS  17           1HD      LYS  17  -2.378  -2.717  -9.987
  101    HD3  LYS  17           2HD      LYS  17  -2.611  -1.998  -8.394
  102    HE2  LYS  17           1HE      LYS  17  -2.747  -0.223  -9.986
  103    HE3  LYS  17           2HE      LYS  17  -1.243  -0.024  -9.083
  104    HZ1  LYS  17           3HZ      LYS  17  -0.930   0.286 -11.483
  105    HZ2  LYS  17           1HZ      LYS  17  -1.455  -1.223 -11.801
  106    HZ3  LYS  17           2HZ      LYS  17  -0.057  -0.994 -10.982
  107    H    SER  18           H        SER  18   2.576  -3.418  -8.321
  108    HA   SER  18           HA       SER  18   3.583  -2.887  -5.607
  109    HB2  SER  18           1HB      SER  18   4.748  -2.229  -8.329
  110    HB3  SER  18           2HB      SER  18   5.543  -1.941  -6.773
  111    HG   SER  18           HG       SER  18   4.658  -4.499  -7.687
  112    H    PHE  19           H        PHE  19   3.926  -0.936  -4.652
  113    HA   PHE  19           HA       PHE  19   3.044   1.584  -5.962
  114    HB2  PHE  19           1HB      PHE  19   2.118   0.580  -3.245
  115    HB3  PHE  19           2HB      PHE  19   1.855   2.205  -3.857
  116    HD1  PHE  19           2HD      PHE  19   0.400   2.576  -5.878
  117    HD2  PHE  19           1HD      PHE  19   0.717  -1.276  -3.965
  118    HE1  PHE  19           2HE      PHE  19  -1.688   1.843  -7.006
  119    HE2  PHE  19           1HE      PHE  19  -1.342  -2.022  -5.134
  120    HZ   PHE  19           HZ       PHE  19  -2.553  -0.456  -6.641
  121    H    SER  20           H        SER  20   3.970   3.479  -5.119
  122    HA   SER  20           HA       SER  20   6.594   3.086  -3.824
  123    HB2  SER  20           1HB      SER  20   7.017   5.379  -4.693
  124    HB3  SER  20           2HB      SER  20   6.595   4.194  -5.942
  125    HG   SER  20           HG       SER  20   5.451   6.175  -6.202
  126    H    GLU  21           H        GLU  21   3.505   4.126  -2.798
  127    HA   GLU  21           HA       GLU  21   4.631   5.369  -0.341
  128    HB2  GLU  21           1HB      GLU  21   2.347   6.570  -1.937
  129    HB3  GLU  21           2HB      GLU  21   2.993   7.164  -0.410
  130    HG2  GLU  21           1HG      GLU  21   5.165   7.655  -1.540
  131    HG3  GLU  21           2HG      GLU  21   4.445   7.179  -3.087
  132    H    ASP  22           H        ASP  22   3.270   5.216   1.503
  133    HA   ASP  22           HA       ASP  22   1.604   2.915   1.631
  134    HB2  ASP  22           1HB      ASP  22   1.269   3.424   3.888
  135    HB3  ASP  22           2HB      ASP  22   2.916   3.915   3.524
  136    H    ARG  23           H        ARG  23   0.774   6.369   1.263
  137    HA   ARG  23           HA       ARG  23  -2.068   6.056   1.498
  138    HB2  ARG  23           1HB      ARG  23  -2.231   8.272   0.486
  139    HB3  ARG  23           2HB      ARG  23  -1.029   8.208   1.772
  140    HG2  ARG  23           1HG      ARG  23   0.792   8.113   0.085
  141    HG3  ARG  23           2HG      ARG  23  -0.408   8.183  -1.221
  142    HD2  ARG  23           1HD      ARG  23  -1.137  10.393  -0.506
  143    HD3  ARG  23           2HD      ARG  23  -0.117  10.299   0.945
  144    HE   ARG  23           HE       ARG  23   1.445   9.966  -1.484
  145   HH11  ARG  23          2HH1      ARG  23  -0.098  12.561   0.302
  146   HH12  ARG  23          1HH1      ARG  23   1.144  13.704  -0.137
  147   HH21  ARG  23          2HH2      ARG  23   3.072  11.355  -1.785
  148   HH22  ARG  23          1HH2      ARG  23   2.880  13.049  -1.366
  149    H    LEU  24           H        LEU  24   0.025   5.389  -1.227
  150    HA   LEU  24           HA       LEU  24  -2.161   5.346  -3.181
  151    HB2  LEU  24           1HB      LEU  24   0.711   4.359  -3.330
  152    HB3  LEU  24           2HB      LEU  24  -0.426   4.361  -4.675
  153    HG   LEU  24           HG       LEU  24   0.497   6.874  -3.223
  154   HD11  LEU  24          1HD1      LEU  24   1.331   5.726  -5.922
  155   HD12  LEU  24          2HD1      LEU  24   2.335   5.769  -4.455
  156   HD13  LEU  24          3HD1      LEU  24   1.852   7.281  -5.230
  157   HD21  LEU  24          3HD2      LEU  24  -0.443   8.042  -5.198
  158   HD22  LEU  24          1HD2      LEU  24  -1.691   7.208  -4.271
  159   HD23  LEU  24          2HD2      LEU  24  -1.098   6.500  -5.793
  160    H    ILE  25           H        ILE  25  -0.271   2.813  -1.424
  161    HA   ILE  25           HA       ILE  25  -1.915   0.693  -2.506
  162    HB   ILE  25           HB       ILE  25   0.324   0.241  -1.693
  163   HG12  ILE  25          1HG1      ILE  25  -1.799  -1.296  -0.136
  164   HG13  ILE  25          2HG1      ILE  25  -1.457  -1.513  -1.856
  165   HG21  ILE  25          1HG2      ILE  25  -0.766   0.657   1.124
  166   HG22  ILE  25          2HG2      ILE  25   0.864   0.115   0.696
  167   HG23  ILE  25          3HG2      ILE  25   0.366   1.737   0.266
  168   HD11  ILE  25          3HD1      ILE  25   0.487  -2.061   0.428
  169   HD12  ILE  25          1HD1      ILE  25  -0.385  -3.242  -0.540
  170   HD13  ILE  25          2HD1      ILE  25   0.849  -2.219  -1.311
  171    H    LYS  26           H        LYS  26  -2.188   2.646   0.516
  172    HA   LYS  26           HA       LYS  26  -4.504   1.313   1.558
  173    HB2  LYS  26           1HB      LYS  26  -3.512   4.181   1.756
  174    HB3  LYS  26           2HB      LYS  26  -4.972   3.629   2.583
  175    HG2  LYS  26           1HG      LYS  26  -3.780   2.038   3.914
  176    HG3  LYS  26           2HG      LYS  26  -2.299   2.223   2.969
  177    HD2  LYS  26           1HD      LYS  26  -2.104   4.585   3.714
  178    HD3  LYS  26           2HD      LYS  26  -3.577   4.397   4.691
  179    HE2  LYS  26           1HE      LYS  26  -2.499   2.658   6.045
  180    HE3  LYS  26           2HE      LYS  26  -1.066   2.690   5.006
  181    HZ1  LYS  26           3HZ      LYS  26  -0.751   4.008   7.035
  182    HZ2  LYS  26           1HZ      LYS  26  -1.986   4.999   6.633
  183    HZ3  LYS  26           2HZ      LYS  26  -0.629   4.953   5.705
  184    H    SER  27           H        SER  27  -4.321   4.051  -0.770
  185    HA   SER  27           HA       SER  27  -7.133   4.257  -1.227
  186    HB2  SER  27           1HB      SER  27  -4.840   4.819  -3.152
  187    HB3  SER  27           2HB      SER  27  -6.529   5.305  -3.377
  188    HG   SER  27           HG       SER  27  -4.687   6.155  -1.391
  189    H    HIS  28           H        HIS  28  -4.687   2.178  -2.888
  190    HA   HIS  28           HA       HIS  28  -6.513   0.990  -4.722
  191    HB2  HIS  28           1HB      HIS  28  -4.111   0.856  -5.009
  192    HB3  HIS  28           2HB      HIS  28  -3.923  -0.036  -3.505
  193    HD1  HIS  28           1HD      HIS  28  -5.698  -0.611  -6.922
  194    HD2  HIS  28           2HD      HIS  28  -3.893  -2.616  -3.696
  195    HE1  HIS  28           1HE      HIS  28  -5.664  -3.063  -7.569
  196    H    ILE  29           H        ILE  29  -5.506  -0.178  -1.466
  197    HA   ILE  29           HA       ILE  29  -7.165  -2.505  -1.457
  198    HB   ILE  29           HB       ILE  29  -6.092  -0.788   0.810
  199   HG12  ILE  29          1HG1      ILE  29  -5.227  -3.534  -0.236
  200   HG13  ILE  29          2HG1      ILE  29  -4.434  -2.024  -0.667
  201   HG21  ILE  29          1HG2      ILE  29  -8.092  -1.986   1.641
  202   HG22  ILE  29          2HG2      ILE  29  -7.471  -3.509   0.977
  203   HG23  ILE  29          3HG2      ILE  29  -6.647  -2.696   2.322
  204   HD11  ILE  29          3HD1      ILE  29  -4.507  -3.264   2.100
  205   HD12  ILE  29          1HD1      ILE  29  -3.121  -3.055   1.026
  206   HD13  ILE  29          2HD1      ILE  29  -3.894  -1.628   1.744
  207    H    LYS  30           H        LYS  30  -7.917   0.861  -0.420
  208    HA   LYS  30           HA       LYS  30 -10.588   0.216   0.481
  209    HB2  LYS  30           1HB      LYS  30  -9.231   2.828  -0.294
  210    HB3  LYS  30           2HB      LYS  30 -10.884   2.767   0.303
  211    HG2  LYS  30           1HG      LYS  30  -8.506   1.684   1.876
  212    HG3  LYS  30           2HG      LYS  30  -9.146   3.322   2.031
  213    HD2  LYS  30           1HD      LYS  30 -11.357   2.386   2.707
  214    HD3  LYS  30           2HD      LYS  30 -10.674   0.746   2.623
  215    HE2  LYS  30           1HE      LYS  30  -8.973   1.356   4.314
  216    HE3  LYS  30           2HE      LYS  30  -9.629   2.996   4.395
  217    HZ1  LYS  30           3HZ      LYS  30 -11.125   0.531   5.127
  218    HZ2  LYS  30           1HZ      LYS  30 -11.726   2.050   5.202
  219    HZ3  LYS  30           2HZ      LYS  30 -10.502   1.607   6.186
  220    H    THR  31           H        THR  31  -9.425   1.110  -2.757
  221    HA   THR  31           HA       THR  31 -12.163   1.411  -3.771
  222    HB   THR  31           HB       THR  31 -10.943   1.793  -5.920
  223    HG1  THR  31           1HG      THR  31  -8.634   2.052  -4.372
  224   HG21  THR  31          3HG2      THR  31 -10.039   4.007  -5.303
  225   HG22  THR  31          1HG2      THR  31 -10.147   3.572  -3.581
  226   HG23  THR  31          2HG2      THR  31 -11.620   3.703  -4.561
  227    H    ASN  32           H        ASN  32  -9.561  -1.002  -4.018
  228    HA   ASN  32           HA       ASN  32 -11.195  -2.578  -5.963
  229    HB2  ASN  32           1HB      ASN  32  -8.219  -2.547  -5.314
  230    HB3  ASN  32           2HB      ASN  32  -8.984  -3.755  -6.324
  231   HD21  ASN  32          1HD2      ASN  32  -8.655  -0.128  -6.130
  232   HD22  ASN  32          2HD2      ASN  32  -8.645   0.025  -7.875
  233    H    HIS  33           H        HIS  33  -9.957  -2.823  -2.653
  234    HA   HIS  33           HA       HIS  33 -11.008  -5.615  -2.495
  235    HB2  HIS  33           1HB      HIS  33  -8.371  -4.720  -1.296
  236    HB3  HIS  33           2HB      HIS  33  -9.028  -6.351  -1.377
  237    HD1  HIS  33           1HD      HIS  33  -9.465  -6.920  -4.344
  238    HD2  HIS  33           2HD      HIS  33  -6.436  -4.399  -2.900
  239    HE1  HIS  33           1HE      HIS  33  -7.710  -6.840  -6.176
  240    HA   PRO  34           HA       PRO  34 -12.310  -2.668   0.927
  241    HB2  PRO  34           1HB      PRO  34 -15.032  -3.793   0.356
  242    HB3  PRO  34           2HB      PRO  34 -14.561  -2.102   0.733
  243    HG2  PRO  34           1HG      PRO  34 -15.146  -2.799  -1.815
  244    HG3  PRO  34           2HG      PRO  34 -13.694  -1.789  -1.493
  245    HD2  PRO  34           1HD      PRO  34 -13.831  -4.802  -1.870
  246    HD3  PRO  34           2HD      PRO  34 -12.783  -3.616  -2.685
  247    H    GLU  35           H        GLU  35 -12.905  -6.082   0.507
  248    HA   GLU  35           HA       GLU  35 -14.057  -6.615   3.101
  249    HB2  GLU  35           1HB      GLU  35 -13.916  -8.942   2.451
  250    HB3  GLU  35           2HB      GLU  35 -14.535  -7.967   1.123
  251    HG2  GLU  35           1HG      GLU  35 -12.286  -8.001   0.043
  252    HG3  GLU  35           2HG      GLU  35 -11.662  -8.975   1.375
  253    H    VAL  36           H        VAL  36 -10.944  -5.725   2.471
  254    HA   VAL  36           HA       VAL  36  -9.803  -7.169   4.810
  255    HB   VAL  36           HB       VAL  36  -9.087  -8.366   2.885
  256   HG11  VAL  36          1HG1      VAL  36  -9.422  -6.813   1.081
  257   HG12  VAL  36          2HG1      VAL  36  -8.152  -5.735   1.692
  258   HG13  VAL  36          3HG1      VAL  36  -7.738  -7.344   1.064
  259   HG21  VAL  36          3HG2      VAL  36  -7.392  -7.987   4.664
  260   HG22  VAL  36          1HG2      VAL  36  -6.692  -8.260   3.062
  261   HG23  VAL  36          2HG2      VAL  36  -6.747  -6.617   3.721
  262    H    SER  37           H        SER  37  -8.306  -6.093   6.021
  263    HA   SER  37           HA       SER  37  -7.491  -3.328   5.413
  264    HB2  SER  37           1HB      SER  37  -8.350  -2.497   7.599
  265    HB3  SER  37           2HB      SER  37  -9.614  -2.890   6.426
  266    HG   SER  37           HG       SER  37  -8.721  -4.712   8.438
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  28.881  -9.886  -4.541
    2    H2   GLY   1           2H       GLY   1  28.868 -11.518  -4.399
    3    H3   GLY   1           3H       GLY   1  28.831 -10.577  -3.058
    4    HA2  GLY   1           1HA      GLY   1  26.702 -10.757  -5.092
    5    HA3  GLY   1           2HA      GLY   1  26.647 -11.488  -3.478
    6    H    SER   2           H        SER   2  24.658 -10.252  -3.227
    7    HA   SER   2           HA       SER   2  25.130  -7.628  -1.975
    8    HB2  SER   2           1HB      SER   2  24.570  -7.204  -4.414
    9    HB3  SER   2           2HB      SER   2  22.980  -7.929  -4.106
   10    HG   SER   2           HG       SER   2  23.012  -5.618  -3.870
   11    H    SER   3           H        SER   3  23.204  -6.886  -0.771
   12    HA   SER   3           HA       SER   3  21.446  -9.080   0.240
   13    HB2  SER   3           1HB      SER   3  23.202  -7.292   1.967
   14    HB3  SER   3           2HB      SER   3  21.977  -8.428   2.561
   15    HG   SER   3           HG       SER   3  24.098  -9.321   2.598
   16    H    GLY   4           H        GLY   4  19.587  -8.421   1.359
   17    HA2  GLY   4           1HA      GLY   4  17.865  -7.022   2.048
   18    HA3  GLY   4           2HA      GLY   4  18.829  -5.607   1.651
   19    H    SER   5           H        SER   5  16.342  -5.290   1.088
   20    HA   SER   5           HA       SER   5  15.466  -6.347  -1.474
   21    HB2  SER   5           1HB      SER   5  14.178  -4.235   0.288
   22    HB3  SER   5           2HB      SER   5  13.405  -5.149  -1.021
   23    HG   SER   5           HG       SER   5  12.952  -6.067   1.028
   24    H    SER   6           H        SER   6  17.407  -3.663  -0.782
   25    HA   SER   6           HA       SER   6  17.992  -1.742  -1.821
   26    HB2  SER   6           1HB      SER   6  17.350  -3.319  -4.328
   27    HB3  SER   6           2HB      SER   6  18.382  -1.881  -4.229
   28    HG   SER   6           HG       SER   6  19.595  -3.832  -4.160
   29    H    GLY   7           H        GLY   7  15.216  -1.712  -0.996
   30    HA2  GLY   7           1HA      GLY   7  14.364   0.764  -2.123
   31    HA3  GLY   7           2HA      GLY   7  13.440  -0.546  -2.864
   32    H    ARG   8           H        ARG   8  12.057   1.274  -1.539
   33    HA   ARG   8           HA       ARG   8  11.195   0.051   1.073
   34    HB2  ARG   8           1HB      ARG   8  11.147   2.976   0.231
   35    HB3  ARG   8           2HB      ARG   8  10.531   2.355   1.754
   36    HG2  ARG   8           1HG      ARG   8  13.471   2.269   0.943
   37    HG3  ARG   8           2HG      ARG   8  12.707   3.514   1.916
   38    HD2  ARG   8           1HD      ARG   8  13.776   2.092   3.454
   39    HD3  ARG   8           2HD      ARG   8  12.042   1.755   3.595
   40    HE   ARG   8           HE       ARG   8  13.277  -0.032   1.698
   41   HH11  ARG   8          1HH2      ARG   8  13.121   0.355   5.178
   42   HH12  ARG   8          2HH2      ARG   8  13.335  -1.355   5.449
   43   HH21  ARG   8          2HH1      ARG   8  13.484  -2.103   2.073
   44   HH22  ARG   8          1HH1      ARG   8  13.558  -2.741   3.703
   45    H    SER   9           H        SER   9  10.240  -0.141  -1.905
   46    HA   SER   9           HA       SER   9   7.635   0.970  -2.035
   47    HB2  SER   9           1HB      SER   9   8.701  -1.448  -3.532
   48    HB3  SER   9           2HB      SER   9   7.334  -0.419  -4.002
   49    HG   SER   9           HG       SER   9   9.282   0.159  -5.091
   50    H    TYR  10           H        TYR  10   5.609  -0.017  -2.134
   51    HA   TYR  10           HA       TYR  10   5.125  -2.215  -0.178
   52    HB2  TYR  10           1HB      TYR  10   3.246  -0.074  -1.243
   53    HB3  TYR  10           2HB      TYR  10   2.890  -1.250   0.013
   54    HD1  TYR  10           2HD      TYR  10   4.824   1.815  -0.814
   55    HD2  TYR  10           1HD      TYR  10   3.672  -0.940   2.301
   56    HE1  TYR  10           2HE      TYR  10   5.773   3.355   0.900
   57    HE2  TYR  10           1HE      TYR  10   4.569   0.627   4.014
   58    HH   TYR  10           HH       TYR  10   5.650   2.612   4.402
   59    H    SER  11           H        SER  11   3.473  -3.810  -0.705
   60    HA   SER  11           HA       SER  11   2.723  -4.074  -3.571
   61    HB2  SER  11           1HB      SER  11   4.780  -5.391  -3.239
   62    HB3  SER  11           2HB      SER  11   3.980  -6.304  -1.942
   63    HG   SER  11           HG       SER  11   3.897  -7.333  -4.030
   64    H    CYS  12           H        CYS  12   0.687  -4.734  -3.885
   65    HA   CYS  12           HA       CYS  12  -1.222  -4.673  -1.873
   66    HB2  CYS  12           1HB      CYS  12  -1.679  -4.225  -4.183
   67    HB3  CYS  12           2HB      CYS  12  -1.323  -5.907  -4.622
   68    HA   PRO  13           HA       PRO  13  -0.867  -8.821  -0.127
   69    HB2  PRO  13           1HB      PRO  13  -2.963  -8.782   1.631
   70    HB3  PRO  13           2HB      PRO  13  -1.459  -7.848   1.883
   71    HG2  PRO  13           1HG      PRO  13  -4.080  -6.866   0.708
   72    HG3  PRO  13           2HG      PRO  13  -3.093  -6.109   1.998
   73    HD2  PRO  13           1HD      PRO  13  -2.922  -5.330  -0.609
   74    HD3  PRO  13           2HD      PRO  13  -1.482  -5.357   0.453
   75    H    VAL  14           H        VAL  14  -3.411  -7.740  -2.172
   76    HA   VAL  14           HA       VAL  14  -4.683 -10.460  -2.247
   77    HB   VAL  14           HB       VAL  14  -5.860  -7.822  -3.141
   78   HG11  VAL  14          1HG1      VAL  14  -7.099 -10.587  -2.814
   79   HG12  VAL  14          2HG1      VAL  14  -8.006  -9.097  -3.137
   80   HG13  VAL  14          3HG1      VAL  14  -6.873  -9.705  -4.342
   81   HG21  VAL  14          3HG2      VAL  14  -5.666  -7.796  -0.709
   82   HG22  VAL  14          1HG2      VAL  14  -7.346  -8.069  -1.152
   83   HG23  VAL  14          2HG2      VAL  14  -6.351  -9.435  -0.604
   84    H    CYS  15           H        CYS  15  -3.257  -7.940  -4.354
   85    HA   CYS  15           HA       CYS  15  -3.240  -9.940  -6.564
   86    HB2  CYS  15           1HB      CYS  15  -3.903  -8.353  -8.157
   87    HB3  CYS  15           2HB      CYS  15  -5.138  -8.464  -6.903
   88    H    GLU  16           H        GLU  16  -1.227  -8.307  -4.687
   89    HA   GLU  16           HA       GLU  16   0.960  -7.772  -4.704
   90    HB2  GLU  16           1HB      GLU  16   1.123  -9.801  -6.946
   91    HB3  GLU  16           2HB      GLU  16   2.464  -9.229  -5.948
   92    HG2  GLU  16           1HG      GLU  16   1.326 -10.099  -3.913
   93    HG3  GLU  16           2HG      GLU  16   0.037 -10.758  -4.924
   94    H    LYS  17           H        LYS  17  -0.740  -6.097  -6.527
   95    HA   LYS  17           HA       LYS  17   1.077  -4.926  -8.461
   96    HB2  LYS  17           1HB      LYS  17  -1.371  -4.667  -8.576
   97    HB3  LYS  17           2HB      LYS  17  -1.368  -3.769  -7.053
   98    HG2  LYS  17           1HG      LYS  17  -0.076  -1.957  -8.064
   99    HG3  LYS  17           2HG      LYS  17   0.128  -2.888  -9.561
  100    HD2  LYS  17           1HD      LYS  17  -2.276  -2.773 -10.017
  101    HD3  LYS  17           2HD      LYS  17  -2.578  -2.048  -8.439
  102    HE2  LYS  17           1HE      LYS  17  -2.677  -0.285 -10.051
  103    HE3  LYS  17           2HE      LYS  17  -1.214  -0.059  -9.087
  104    HZ1  LYS  17           3HZ      LYS  17  -1.293  -1.277 -11.802
  105    HZ2  LYS  17           1HZ      LYS  17   0.066  -1.022 -10.927
  106    HZ3  LYS  17           2HZ      LYS  17  -0.804   0.242 -11.473
  107    H    SER  18           H        SER  18   2.615  -3.403  -8.217
  108    HA   SER  18           HA       SER  18   3.569  -2.823  -5.523
  109    HB2  SER  18           1HB      SER  18   4.750  -2.057  -8.209
  110    HB3  SER  18           2HB      SER  18   5.546  -1.921  -6.630
  111    HG   SER  18           HG       SER  18   6.127  -3.852  -7.753
  112    H    PHE  19           H        PHE  19   3.870  -0.864  -4.545
  113    HA   PHE  19           HA       PHE  19   2.927   1.645  -5.852
  114    HB2  PHE  19           1HB      PHE  19   2.023   0.587  -3.148
  115    HB3  PHE  19           2HB      PHE  19   1.726   2.217  -3.731
  116    HD1  PHE  19           2HD      PHE  19   0.286   2.601  -5.758
  117    HD2  PHE  19           1HD      PHE  19   0.655  -1.278  -3.907
  118    HE1  PHE  19           2HE      PHE  19  -1.738   1.829  -6.972
  119    HE2  PHE  19           1HE      PHE  19  -1.351  -2.054  -5.144
  120    HZ   PHE  19           HZ       PHE  19  -2.542  -0.502  -6.680
  121    H    SER  20           H        SER  20   3.939   3.513  -5.191
  122    HA   SER  20           HA       SER  20   6.529   3.197  -3.913
  123    HB2  SER  20           1HB      SER  20   5.145   5.716  -4.902
  124    HB3  SER  20           2HB      SER  20   6.871   5.520  -4.542
  125    HG   SER  20           HG       SER  20   6.427   5.304  -6.788
  126    H    GLU  21           H        GLU  21   3.437   4.103  -2.667
  127    HA   GLU  21           HA       GLU  21   4.594   5.178  -0.138
  128    HB2  GLU  21           1HB      GLU  21   2.723   6.557  -2.071
  129    HB3  GLU  21           2HB      GLU  21   2.555   6.857  -0.352
  130    HG2  GLU  21           1HG      GLU  21   5.199   7.263  -1.792
  131    HG3  GLU  21           2HG      GLU  21   3.956   8.505  -1.683
  132    H    ASP  22           H        ASP  22   3.359   4.889   1.678
  133    HA   ASP  22           HA       ASP  22   1.631   2.684   1.879
  134    HB2  ASP  22           1HB      ASP  22   2.976   3.631   3.702
  135    HB3  ASP  22           2HB      ASP  22   1.978   5.085   3.709
  136    H    ARG  23           H        ARG  23   0.827   6.121   1.440
  137    HA   ARG  23           HA       ARG  23  -2.017   5.863   1.813
  138    HB2  ARG  23           1HB      ARG  23  -2.160   8.108   1.060
  139    HB3  ARG  23           2HB      ARG  23  -0.672   7.963   1.985
  140    HG2  ARG  23           1HG      ARG  23   0.451   7.600  -0.395
  141    HG3  ARG  23           2HG      ARG  23  -1.056   8.274  -1.010
  142    HD2  ARG  23           1HD      ARG  23   0.472  10.078  -0.851
  143    HD3  ARG  23           2HD      ARG  23  -0.655  10.292   0.486
  144    HE   ARG  23           HE       ARG  23   2.178   9.245   0.673
  145   HH11  ARG  23          2HH1      ARG  23  -0.466  10.808   2.400
  146   HH12  ARG  23          1HH1      ARG  23   0.532  11.035   3.811
  147   HH21  ARG  23          2HH2      ARG  23   3.292   9.528   2.361
  148   HH22  ARG  23          1HH2      ARG  23   2.664  10.325   3.808
  149    H    LEU  24           H        LEU  24   0.002   5.192  -0.962
  150    HA   LEU  24           HA       LEU  24  -2.226   5.237  -2.887
  151    HB2  LEU  24           1HB      LEU  24   0.669   4.356  -3.190
  152    HB3  LEU  24           2HB      LEU  24  -0.506   4.495  -4.495
  153    HG   LEU  24           HG       LEU  24   0.528   6.812  -2.809
  154   HD11  LEU  24          1HD1      LEU  24   2.204   5.852  -4.366
  155   HD12  LEU  24          2HD1      LEU  24   1.696   7.475  -4.859
  156   HD13  LEU  24          3HD1      LEU  24   1.060   6.051  -5.712
  157   HD21  LEU  24          3HD2      LEU  24  -0.579   8.243  -4.512
  158   HD22  LEU  24          1HD2      LEU  24  -1.745   7.304  -3.577
  159   HD23  LEU  24          2HD2      LEU  24  -1.324   6.797  -5.230
  160    H    ILE  25           H        ILE  25  -0.295   2.732  -1.182
  161    HA   ILE  25           HA       ILE  25  -1.845   0.585  -2.389
  162    HB   ILE  25           HB       ILE  25   0.363   0.127  -1.529
  163   HG12  ILE  25          1HG1      ILE  25  -1.781  -1.412  -0.011
  164   HG13  ILE  25          2HG1      ILE  25  -1.421  -1.625  -1.727
  165   HG21  ILE  25          1HG2      ILE  25   0.864  -0.000   0.859
  166   HG22  ILE  25          2HG2      ILE  25   0.353   1.619   0.439
  167   HG23  ILE  25          3HG2      ILE  25  -0.782   0.519   1.268
  168   HD11  ILE  25          3HD1      ILE  25   0.509  -2.171   0.568
  169   HD12  ILE  25          1HD1      ILE  25  -0.360  -3.358  -0.391
  170   HD13  ILE  25          2HD1      ILE  25   0.873  -2.340  -1.171
  171    H    LYS  26           H        LYS  26  -2.231   2.500   0.662
  172    HA   LYS  26           HA       LYS  26  -4.562   1.100   1.562
  173    HB2  LYS  26           1HB      LYS  26  -3.535   3.922   1.998
  174    HB3  LYS  26           2HB      LYS  26  -5.124   3.430   2.596
  175    HG2  LYS  26           1HG      LYS  26  -4.141   1.564   3.850
  176    HG3  LYS  26           2HG      LYS  26  -2.519   2.011   3.291
  177    HD2  LYS  26           1HD      LYS  26  -2.652   4.157   4.464
  178    HD3  LYS  26           2HD      LYS  26  -4.358   3.889   4.840
  179    HE2  LYS  26           1HE      LYS  26  -3.110   3.461   6.831
  180    HE3  LYS  26           2HE      LYS  26  -3.766   1.929   6.243
  181    HZ1  LYS  26           3HZ      LYS  26  -1.555   1.426   5.327
  182    HZ2  LYS  26           1HZ      LYS  26  -1.413   1.760   6.921
  183    HZ3  LYS  26           2HZ      LYS  26  -0.976   2.871   5.796
  184    H    SER  27           H        SER  27  -4.431   3.972  -0.658
  185    HA   SER  27           HA       SER  27  -7.276   3.996  -1.010
  186    HB2  SER  27           1HB      SER  27  -6.916   5.445  -2.886
  187    HB3  SER  27           2HB      SER  27  -5.867   5.924  -1.541
  188    HG   SER  27           HG       SER  27  -4.797   5.904  -3.590
  189    H    HIS  28           H        HIS  28  -4.721   2.250  -2.851
  190    HA   HIS  28           HA       HIS  28  -6.454   1.041  -4.749
  191    HB2  HIS  28           1HB      HIS  28  -4.068   0.898  -5.011
  192    HB3  HIS  28           2HB      HIS  28  -3.874   0.057  -3.477
  193    HD1  HIS  28           1HD      HIS  28  -5.590  -0.662  -6.893
  194    HD2  HIS  28           2HD      HIS  28  -3.853  -2.540  -3.556
  195    HE1  HIS  28           1HE      HIS  28  -5.550  -3.137  -7.441
  196    H    ILE  29           H        ILE  29  -5.490  -0.258  -1.516
  197    HA   ILE  29           HA       ILE  29  -7.130  -2.589  -1.696
  198    HB   ILE  29           HB       ILE  29  -6.135  -1.067   0.740
  199   HG12  ILE  29          1HG1      ILE  29  -5.128  -3.656  -0.558
  200   HG13  ILE  29          2HG1      ILE  29  -4.378  -2.087  -0.798
  201   HG21  ILE  29          1HG2      ILE  29  -6.658  -3.076   2.065
  202   HG22  ILE  29          2HG2      ILE  29  -8.127  -2.507   1.311
  203   HG23  ILE  29          3HG2      ILE  29  -7.287  -3.899   0.623
  204   HD11  ILE  29          3HD1      ILE  29  -4.502  -3.617   1.819
  205   HD12  ILE  29          1HD1      ILE  29  -3.089  -3.245   0.831
  206   HD13  ILE  29          2HD1      ILE  29  -3.939  -1.932   1.665
  207    H    LYS  30           H        LYS  30  -7.970   0.709  -0.494
  208    HA   LYS  30           HA       LYS  30 -10.681  -0.156   0.229
  209    HB2  LYS  30           1HB      LYS  30  -9.437   2.605   0.029
  210    HB3  LYS  30           2HB      LYS  30 -11.070   2.292   0.599
  211    HG2  LYS  30           1HG      LYS  30  -8.501   1.366   1.949
  212    HG3  LYS  30           2HG      LYS  30  -9.589   2.643   2.460
  213    HD2  LYS  30           1HD      LYS  30 -10.260   0.982   3.878
  214    HD3  LYS  30           2HD      LYS  30 -11.402   0.707   2.556
  215    HE2  LYS  30           1HE      LYS  30  -9.835  -1.073   1.670
  216    HE3  LYS  30           2HE      LYS  30  -8.755  -0.757   3.024
  217    HZ1  LYS  30           3HZ      LYS  30 -10.465  -1.542   4.533
  218    HZ2  LYS  30           1HZ      LYS  30 -10.177  -2.659   3.413
  219    HZ3  LYS  30           2HZ      LYS  30 -11.543  -1.780   3.298
  220    H    THR  31           H        THR  31  -9.411   0.823  -2.856
  221    HA   THR  31           HA       THR  31 -12.154   1.248  -3.896
  222    HB   THR  31           HB       THR  31 -10.887   1.693  -6.007
  223    HG1  THR  31           1HG      THR  31  -8.640   1.997  -4.380
  224   HG21  THR  31          3HG2      THR  31 -10.224   3.460  -3.620
  225   HG22  THR  31          1HG2      THR  31 -11.672   3.558  -4.642
  226   HG23  THR  31          2HG2      THR  31 -10.081   3.930  -5.330
  227    H    ASN  32           H        ASN  32  -9.504  -1.108  -4.122
  228    HA   ASN  32           HA       ASN  32 -11.033  -2.682  -6.147
  229    HB2  ASN  32           1HB      ASN  32  -8.101  -2.655  -5.317
  230    HB3  ASN  32           2HB      ASN  32  -8.801  -3.842  -6.401
  231   HD21  ASN  32          1HD2      ASN  32  -8.474  -0.226  -6.100
  232   HD22  ASN  32          2HD2      ASN  32  -8.381  -0.022  -7.837
  233    H    HIS  33           H        HIS  33  -9.916  -2.942  -2.801
  234    HA   HIS  33           HA       HIS  33 -11.117  -5.662  -2.604
  235    HB2  HIS  33           1HB      HIS  33  -8.499  -4.931  -1.268
  236    HB3  HIS  33           2HB      HIS  33  -9.219  -6.524  -1.473
  237    HD1  HIS  33           1HD      HIS  33  -9.406  -6.952  -4.490
  238    HD2  HIS  33           2HD      HIS  33  -6.447  -4.581  -2.694
  239    HE1  HIS  33           1HE      HIS  33  -7.512  -6.823  -6.176
  240    HA   PRO  34           HA       PRO  34 -12.211  -2.214   0.466
  241    HB2  PRO  34           1HB      PRO  34 -14.991  -3.287   0.054
  242    HB3  PRO  34           2HB      PRO  34 -14.458  -1.587   0.273
  243    HG2  PRO  34           1HG      PRO  34 -15.060  -2.488  -2.199
  244    HG3  PRO  34           2HG      PRO  34 -13.559  -1.527  -1.965
  245    HD2  PRO  34           1HD      PRO  34 -13.855  -4.546  -2.090
  246    HD3  PRO  34           2HD      PRO  34 -12.726  -3.488  -2.967
  247    H    GLU  35           H        GLU  35 -13.413  -5.551   0.552
  248    HA   GLU  35           HA       GLU  35 -14.361  -5.486   3.261
  249    HB2  GLU  35           1HB      GLU  35 -14.794  -7.847   2.946
  250    HB3  GLU  35           2HB      GLU  35 -15.298  -6.934   1.528
  251    HG2  GLU  35           1HG      GLU  35 -13.216  -7.624   0.341
  252    HG3  GLU  35           2HG      GLU  35 -12.707  -8.535   1.763
  253    H    VAL  36           H        VAL  36 -11.186  -5.507   2.285
  254    HA   VAL  36           HA       VAL  36 -10.220  -6.794   4.798
  255    HB   VAL  36           HB       VAL  36  -9.769  -8.327   3.043
  256   HG11  VAL  36          1HG1      VAL  36  -8.385  -7.794   1.062
  257   HG12  VAL  36          2HG1      VAL  36  -9.938  -6.955   1.049
  258   HG13  VAL  36          3HG1      VAL  36  -8.463  -6.068   1.480
  259   HG21  VAL  36          3HG2      VAL  36  -7.165  -6.855   3.594
  260   HG22  VAL  36          1HG2      VAL  36  -7.968  -7.983   4.717
  261   HG23  VAL  36          2HG2      VAL  36  -7.373  -8.559   3.153
  262    H    SER  37           H        SER  37  -8.592  -5.763   5.884
  263    HA   SER  37           HA       SER  37  -7.615  -3.108   4.923
  264    HB2  SER  37           1HB      SER  37  -8.901  -3.682   7.617
  265    HB3  SER  37           2HB      SER  37  -8.039  -2.193   7.192
  266    HG   SER  37           HG       SER  37 -10.390  -2.125   6.932
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  14.886   3.889 -11.105
    2    H2   GLY   1           2H       GLY   1  14.050   5.298 -11.144
    3    H3   GLY   1           3H       GLY   1  13.742   4.196  -9.972
    4    HA2  GLY   1           1HA      GLY   1  15.930   4.490  -9.023
    5    HA3  GLY   1           2HA      GLY   1  16.276   5.671 -10.300
    6    H    SER   2           H        SER   2  16.218   5.968  -7.347
    7    HA   SER   2           HA       SER   2  14.294   8.243  -7.094
    8    HB2  SER   2           1HB      SER   2  14.780   6.080  -5.009
    9    HB3  SER   2           2HB      SER   2  13.796   7.538  -4.790
   10    HG   SER   2           HG       SER   2  12.529   5.698  -5.343
   11    H    SER   3           H        SER   3  14.883   9.868  -5.613
   12    HA   SER   3           HA       SER   3  17.698  10.424  -5.403
   13    HB2  SER   3           1HB      SER   3  15.339  11.818  -4.084
   14    HB3  SER   3           2HB      SER   3  16.985  12.462  -4.245
   15    HG   SER   3           HG       SER   3  15.582  13.233  -5.901
   16    H    GLY   4           H        GLY   4  18.971  10.781  -3.548
   17    HA2  GLY   4           1HA      GLY   4  19.725  10.550  -1.370
   18    HA3  GLY   4           2HA      GLY   4  18.128  10.022  -0.861
   19    H    SER   5           H        SER   5  19.986   8.787   0.394
   20    HA   SER   5           HA       SER   5  21.115   6.456  -0.957
   21    HB2  SER   5           1HB      SER   5  22.211   7.855   0.852
   22    HB3  SER   5           2HB      SER   5  21.111   7.087   2.012
   23    HG   SER   5           HG       SER   5  23.156   6.017   1.837
   24    H    SER   6           H        SER   6  18.203   7.035   0.859
   25    HA   SER   6           HA       SER   6  17.597   4.108   1.051
   26    HB2  SER   6           1HB      SER   6  17.054   6.233   3.157
   27    HB3  SER   6           2HB      SER   6  16.536   4.540   3.229
   28    HG   SER   6           HG       SER   6  18.484   4.912   4.396
   29    H    GLY   7           H        GLY   7  15.391   3.524   1.114
   30    HA2  GLY   7           1HA      GLY   7  13.191   5.341   0.773
   31    HA3  GLY   7           2HA      GLY   7  13.669   4.650  -0.781
   32    H    ARG   8           H        ARG   8  11.236   4.019  -0.219
   33    HA   ARG   8           HA       ARG   8  11.227   1.186   0.741
   34    HB2  ARG   8           1HB      ARG   8   9.121   3.259   1.478
   35    HB3  ARG   8           2HB      ARG   8   9.092   1.542   1.889
   36    HG2  ARG   8           1HG      ARG   8  11.250   1.904   3.192
   37    HG3  ARG   8           2HG      ARG   8  11.021   3.643   2.949
   38    HD2  ARG   8           1HD      ARG   8   9.170   1.714   4.402
   39    HD3  ARG   8           2HD      ARG   8  10.141   2.983   5.137
   40    HE   ARG   8           HE       ARG   8   7.562   3.248   3.751
   41   HH11  ARG   8          2HH1      ARG   8  10.306   5.137   4.861
   42   HH12  ARG   8          1HH1      ARG   8   9.403   6.624   4.785
   43   HH21  ARG   8          2HH2      ARG   8   6.505   5.107   3.688
   44   HH22  ARG   8          1HH2      ARG   8   7.278   6.611   4.136
   45    H    SER   9           H        SER   9   9.546  -0.102  -0.022
   46    HA   SER   9           HA       SER   9   7.753   0.928  -2.135
   47    HB2  SER   9           1HB      SER   9   8.115  -1.049  -3.536
   48    HB3  SER   9           2HB      SER   9   9.580  -0.066  -3.387
   49    HG   SER   9           HG       SER   9  10.023  -2.304  -3.131
   50    H    TYR  10           H        TYR  10   5.882  -0.364  -2.477
   51    HA   TYR  10           HA       TYR  10   5.061  -2.132  -0.208
   52    HB2  TYR  10           1HB      TYR  10   3.463   0.110  -1.509
   53    HB3  TYR  10           2HB      TYR  10   2.890  -0.974  -0.256
   54    HD1  TYR  10           2HD      TYR  10   5.265   1.816  -0.984
   55    HD2  TYR  10           1HD      TYR  10   3.321  -0.532   2.069
   56    HE1  TYR  10           2HE      TYR  10   6.078   3.405   0.757
   57    HE2  TYR  10           1HE      TYR  10   4.082   1.086   3.795
   58    HH   TYR  10           HH       TYR  10   5.214   3.002   4.217
   59    H    SER  11           H        SER  11   3.519  -3.779  -0.788
   60    HA   SER  11           HA       SER  11   2.566  -3.817  -3.566
   61    HB2  SER  11           1HB      SER  11   3.144  -6.158  -3.954
   62    HB3  SER  11           2HB      SER  11   4.564  -5.116  -3.808
   63    HG   SER  11           HG       SER  11   4.882  -5.877  -1.704
   64    H    CYS  12           H        CYS  12   0.659  -4.764  -3.946
   65    HA   CYS  12           HA       CYS  12  -1.232  -4.678  -1.940
   66    HB2  CYS  12           1HB      CYS  12  -1.699  -4.309  -4.259
   67    HB3  CYS  12           2HB      CYS  12  -1.303  -5.990  -4.656
   68    HA   PRO  13           HA       PRO  13  -0.890  -8.790  -0.086
   69    HB2  PRO  13           1HB      PRO  13  -2.955  -8.675   1.696
   70    HB3  PRO  13           2HB      PRO  13  -1.446  -7.736   1.897
   71    HG2  PRO  13           1HG      PRO  13  -4.081  -6.786   0.726
   72    HG3  PRO  13           2HG      PRO  13  -3.076  -5.991   1.976
   73    HD2  PRO  13           1HD      PRO  13  -2.941  -5.308  -0.665
   74    HD3  PRO  13           2HD      PRO  13  -1.495  -5.280   0.387
   75    H    VAL  14           H        VAL  14  -3.442  -7.719  -2.129
   76    HA   VAL  14           HA       VAL  14  -4.769 -10.417  -2.121
   77    HB   VAL  14           HB       VAL  14  -5.898  -7.715  -2.892
   78   HG11  VAL  14          1HG1      VAL  14  -7.237 -10.453  -2.813
   79   HG12  VAL  14          2HG1      VAL  14  -8.079  -8.901  -3.014
   80   HG13  VAL  14          3HG1      VAL  14  -6.962  -9.453  -4.259
   81   HG21  VAL  14          3HG2      VAL  14  -6.467  -9.548  -0.519
   82   HG22  VAL  14          1HG2      VAL  14  -5.702  -7.946  -0.457
   83   HG23  VAL  14          2HG2      VAL  14  -7.393  -8.089  -0.927
   84    H    CYS  15           H        CYS  15  -3.351  -7.949  -4.290
   85    HA   CYS  15           HA       CYS  15  -3.374  -9.982  -6.458
   86    HB2  CYS  15           1HB      CYS  15  -4.201  -8.532  -8.046
   87    HB3  CYS  15           2HB      CYS  15  -5.348  -8.551  -6.709
   88    H    GLU  16           H        GLU  16  -1.356  -8.471  -4.689
   89    HA   GLU  16           HA       GLU  16   0.856  -8.067  -4.692
   90    HB2  GLU  16           1HB      GLU  16   0.848  -9.850  -7.138
   91    HB3  GLU  16           2HB      GLU  16   2.238  -9.483  -6.113
   92    HG2  GLU  16           1HG      GLU  16   1.060 -10.481  -4.157
   93    HG3  GLU  16           2HG      GLU  16  -0.276 -10.948  -5.214
   94    H    LYS  17           H        LYS  17  -0.782  -6.259  -6.744
   95    HA   LYS  17           HA       LYS  17   1.227  -5.140  -8.473
   96    HB2  LYS  17           1HB      LYS  17  -1.350  -3.996  -7.332
   97    HB3  LYS  17           2HB      LYS  17  -0.347  -3.131  -8.509
   98    HG2  LYS  17           1HG      LYS  17  -0.633  -4.838 -10.184
   99    HG3  LYS  17           2HG      LYS  17  -1.347  -5.942  -9.014
  100    HD2  LYS  17           1HD      LYS  17  -3.247  -4.219  -8.735
  101    HD3  LYS  17           2HD      LYS  17  -2.560  -3.380 -10.127
  102    HE2  LYS  17           1HE      LYS  17  -4.390  -4.810 -10.845
  103    HE3  LYS  17           2HE      LYS  17  -2.873  -5.425 -11.512
  104    HZ1  LYS  17           3HZ      LYS  17  -4.349  -7.164 -10.509
  105    HZ2  LYS  17           1HZ      LYS  17  -4.110  -6.493  -9.022
  106    HZ3  LYS  17           2HZ      LYS  17  -2.858  -7.137  -9.830
  107    H    SER  18           H        SER  18   2.498  -3.381  -8.327
  108    HA   SER  18           HA       SER  18   3.516  -2.849  -5.608
  109    HB2  SER  18           1HB      SER  18   4.768  -2.266  -8.305
  110    HB3  SER  18           2HB      SER  18   5.543  -2.061  -6.721
  111    HG   SER  18           HG       SER  18   6.063  -4.083  -7.714
  112    H    PHE  19           H        PHE  19   3.890  -0.913  -4.682
  113    HA   PHE  19           HA       PHE  19   3.058   1.622  -6.000
  114    HB2  PHE  19           1HB      PHE  19   2.103   0.679  -3.269
  115    HB3  PHE  19           2HB      PHE  19   1.775   2.247  -3.988
  116    HD1  PHE  19           2HD      PHE  19   0.323   2.412  -6.053
  117    HD2  PHE  19           1HD      PHE  19   0.808  -1.279  -3.869
  118    HE1  PHE  19           2HE      PHE  19  -1.630   1.445  -7.244
  119    HE2  PHE  19           1HE      PHE  19  -1.137  -2.240  -5.071
  120    HZ   PHE  19           HZ       PHE  19  -2.335  -0.893  -6.783
  121    H    SER  20           H        SER  20   3.945   3.525  -5.055
  122    HA   SER  20           HA       SER  20   6.548   3.077  -3.729
  123    HB2  SER  20           1HB      SER  20   7.003   5.393  -4.498
  124    HB3  SER  20           2HB      SER  20   6.597   4.263  -5.800
  125    HG   SER  20           HG       SER  20   5.477   6.263  -6.005
  126    H    GLU  21           H        GLU  21   3.446   4.044  -2.673
  127    HA   GLU  21           HA       GLU  21   4.593   5.200  -0.185
  128    HB2  GLU  21           1HB      GLU  21   2.289   6.483  -1.685
  129    HB3  GLU  21           2HB      GLU  21   2.978   6.997  -0.147
  130    HG2  GLU  21           1HG      GLU  21   5.140   7.479  -1.326
  131    HG3  GLU  21           2HG      GLU  21   4.328   7.151  -2.865
  132    H    ASP  22           H        ASP  22   3.351   4.993   1.647
  133    HA   ASP  22           HA       ASP  22   1.581   2.840   2.020
  134    HB2  ASP  22           1HB      ASP  22   2.907   3.938   3.769
  135    HB3  ASP  22           2HB      ASP  22   1.978   5.423   3.583
  136    H    ARG  23           H        ARG  23   0.831   6.283   1.394
  137    HA   ARG  23           HA       ARG  23  -2.032   6.044   1.585
  138    HB2  ARG  23           1HB      ARG  23  -2.094   8.220   0.427
  139    HB3  ARG  23           2HB      ARG  23  -1.008   8.200   1.814
  140    HG2  ARG  23           1HG      ARG  23   0.951   8.059   0.362
  141    HG3  ARG  23           2HG      ARG  23  -0.060   7.935  -1.081
  142    HD2  ARG  23           1HD      ARG  23  -0.134  10.314   0.814
  143    HD3  ARG  23           2HD      ARG  23   0.960  10.228  -0.556
  144    HE   ARG  23           HE       ARG  23  -1.938  10.666  -0.629
  145   HH11  ARG  23          2HH1      ARG  23   0.864   9.828  -2.637
  146   HH12  ARG  23          1HH1      ARG  23   0.040  10.353  -4.082
  147   HH21  ARG  23          2HH2      ARG  23  -2.885  11.253  -2.537
  148   HH22  ARG  23          1HH2      ARG  23  -2.013  11.101  -4.033
  149    H    LEU  24           H        LEU  24   0.136   5.349  -1.102
  150    HA   LEU  24           HA       LEU  24  -2.013   5.319  -3.096
  151    HB2  LEU  24           1HB      LEU  24   0.880   4.386  -3.180
  152    HB3  LEU  24           2HB      LEU  24  -0.220   4.314  -4.552
  153    HG   LEU  24           HG       LEU  24   0.600   6.886  -3.138
  154   HD11  LEU  24          1HD1      LEU  24   1.954   7.298  -5.143
  155   HD12  LEU  24          2HD1      LEU  24   1.477   5.721  -5.813
  156   HD13  LEU  24          3HD1      LEU  24   2.470   5.812  -4.340
  157   HD21  LEU  24          3HD2      LEU  24  -0.353   7.978  -5.170
  158   HD22  LEU  24          1HD2      LEU  24  -1.578   7.180  -4.182
  159   HD23  LEU  24          2HD2      LEU  24  -1.003   6.407  -5.682
  160    H    ILE  25           H        ILE  25  -0.150   2.782  -1.327
  161    HA   ILE  25           HA       ILE  25  -1.738   0.665  -2.481
  162    HB   ILE  25           HB       ILE  25   0.474   0.234  -1.574
  163   HG12  ILE  25          1HG1      ILE  25  -1.706  -1.345  -0.146
  164   HG13  ILE  25          2HG1      ILE  25  -1.295  -1.526  -1.855
  165   HG21  ILE  25          1HG2      ILE  25  -0.750   0.550   1.202
  166   HG22  ILE  25          2HG2      ILE  25   0.915   0.079   0.821
  167   HG23  ILE  25          3HG2      ILE  25   0.376   1.700   0.434
  168   HD11  ILE  25          3HD1      ILE  25   0.569  -2.107   0.487
  169   HD12  ILE  25          1HD1      ILE  25  -0.282  -3.277  -0.518
  170   HD13  ILE  25          2HD1      ILE  25   0.979  -2.253  -1.245
  171    H    LYS  26           H        LYS  26  -2.167   2.575   0.563
  172    HA   LYS  26           HA       LYS  26  -4.519   1.144   1.404
  173    HB2  LYS  26           1HB      LYS  26  -3.500   3.954   1.937
  174    HB3  LYS  26           2HB      LYS  26  -5.045   3.381   2.584
  175    HG2  LYS  26           1HG      LYS  26  -3.998   1.542   3.755
  176    HG3  LYS  26           2HG      LYS  26  -2.421   1.897   3.030
  177    HD2  LYS  26           1HD      LYS  26  -2.338   4.065   4.166
  178    HD3  LYS  26           2HD      LYS  26  -3.948   3.794   4.874
  179    HE2  LYS  26           1HE      LYS  26  -3.155   1.901   6.160
  180    HE3  LYS  26           2HE      LYS  26  -1.612   1.888   5.292
  181    HZ1  LYS  26           3HZ      LYS  26  -1.388   2.952   7.458
  182    HZ2  LYS  26           1HZ      LYS  26  -2.488   4.102   7.062
  183    HZ3  LYS  26           2HZ      LYS  26  -1.061   4.000   6.244
  184    H    SER  27           H        SER  27  -4.251   4.021  -0.741
  185    HA   SER  27           HA       SER  27  -7.023   4.296  -1.289
  186    HB2  SER  27           1HB      SER  27  -5.281   5.912  -1.966
  187    HB3  SER  27           2HB      SER  27  -4.679   4.760  -3.175
  188    HG   SER  27           HG       SER  27  -6.166   6.321  -4.038
  189    H    HIS  28           H        HIS  28  -4.590   2.229  -2.975
  190    HA   HIS  28           HA       HIS  28  -6.379   1.024  -4.808
  191    HB2  HIS  28           1HB      HIS  28  -3.986   0.872  -5.092
  192    HB3  HIS  28           2HB      HIS  28  -3.784   0.053  -3.550
  193    HD1  HIS  28           1HD      HIS  28  -5.312  -0.692  -7.029
  194    HD2  HIS  28           2HD      HIS  28  -3.875  -2.557  -3.545
  195    HE1  HIS  28           1HE      HIS  28  -5.325  -3.174  -7.527
  196    H    ILE  29           H        ILE  29  -5.404  -0.187  -1.566
  197    HA   ILE  29           HA       ILE  29  -7.041  -2.525  -1.604
  198    HB   ILE  29           HB       ILE  29  -5.917  -0.862   0.677
  199   HG12  ILE  29          1HG1      ILE  29  -5.108  -3.598  -0.433
  200   HG13  ILE  29          2HG1      ILE  29  -4.308  -2.086  -0.844
  201   HG21  ILE  29          1HG2      ILE  29  -7.317  -3.570   0.858
  202   HG22  ILE  29          2HG2      ILE  29  -6.447  -2.772   2.185
  203   HG23  ILE  29          3HG2      ILE  29  -7.903  -2.044   1.554
  204   HD11  ILE  29          3HD1      ILE  29  -2.972  -3.162   0.802
  205   HD12  ILE  29          1HD1      ILE  29  -3.729  -1.757   1.575
  206   HD13  ILE  29          2HD1      ILE  29  -4.340  -3.405   1.889
  207    H    LYS  30           H        LYS  30  -7.824   0.807  -0.514
  208    HA   LYS  30           HA       LYS  30 -10.435   0.026   0.500
  209    HB2  LYS  30           1HB      LYS  30  -9.156   2.716  -0.115
  210    HB3  LYS  30           2HB      LYS  30 -10.785   2.581   0.517
  211    HG2  LYS  30           1HG      LYS  30  -8.271   1.561   1.910
  212    HG3  LYS  30           2HG      LYS  30  -9.133   3.040   2.292
  213    HD2  LYS  30           1HD      LYS  30 -10.108   0.178   2.665
  214    HD3  LYS  30           2HD      LYS  30  -9.650   1.307   3.922
  215    HE2  LYS  30           1HE      LYS  30 -12.045   1.650   2.055
  216    HE3  LYS  30           2HE      LYS  30 -12.115   0.985   3.685
  217    HZ1  LYS  30           3HZ      LYS  30 -12.679   3.332   3.699
  218    HZ2  LYS  30           1HZ      LYS  30 -11.251   3.754   3.034
  219    HZ3  LYS  30           2HZ      LYS  30 -11.299   3.114   4.540
  220    H    THR  31           H        THR  31  -9.420   0.963  -2.712
  221    HA   THR  31           HA       THR  31 -12.282   1.174  -3.517
  222    HB   THR  31           HB       THR  31 -10.568   2.961  -4.004
  223    HG1  THR  31           1HG      THR  31 -12.167   1.879  -6.080
  224   HG21  THR  31          3HG2      THR  31  -9.288   2.851  -6.009
  225   HG22  THR  31          1HG2      THR  31  -9.909   1.236  -6.413
  226   HG23  THR  31          2HG2      THR  31  -8.821   1.461  -5.019
  227    H    ASN  32           H        ASN  32  -9.716  -1.132  -3.778
  228    HA   ASN  32           HA       ASN  32 -11.327  -2.682  -5.795
  229    HB2  ASN  32           1HB      ASN  32  -8.369  -2.908  -5.108
  230    HB3  ASN  32           2HB      ASN  32  -9.237  -3.878  -6.289
  231   HD21  ASN  32          1HD2      ASN  32  -7.815  -0.778  -5.647
  232   HD22  ASN  32          2HD2      ASN  32  -8.011  -0.147  -7.292
  233    H    HIS  33           H        HIS  33  -9.992  -2.876  -2.515
  234    HA   HIS  33           HA       HIS  33 -10.944  -5.686  -2.294
  235    HB2  HIS  33           1HB      HIS  33  -8.369  -4.565  -1.149
  236    HB3  HIS  33           2HB      HIS  33  -8.865  -6.244  -1.158
  237    HD1  HIS  33           1HD      HIS  33  -9.481  -6.666  -4.248
  238    HD2  HIS  33           2HD      HIS  33  -6.283  -4.490  -2.618
  239    HE1  HIS  33           1HE      HIS  33  -7.678  -6.649  -6.036
  240    HA   PRO  34           HA       PRO  34 -11.565  -2.897   1.616
  241    HB2  PRO  34           1HB      PRO  34 -14.138  -1.964   1.541
  242    HB3  PRO  34           2HB      PRO  34 -12.762  -1.129   0.757
  243    HG2  PRO  34           1HG      PRO  34 -14.754  -3.039  -0.516
  244    HG3  PRO  34           2HG      PRO  34 -14.260  -1.413  -1.094
  245    HD2  PRO  34           1HD      PRO  34 -13.114  -3.663  -2.083
  246    HD3  PRO  34           2HD      PRO  34 -12.138  -2.196  -1.773
  247    H    GLU  35           H        GLU  35 -13.684  -5.297   0.186
  248    HA   GLU  35           HA       GLU  35 -14.412  -6.371   2.878
  249    HB2  GLU  35           1HB      GLU  35 -16.240  -7.513   1.798
  250    HB3  GLU  35           2HB      GLU  35 -16.304  -5.789   1.453
  251    HG2  GLU  35           1HG      GLU  35 -15.317  -6.204  -0.805
  252    HG3  GLU  35           2HG      GLU  35 -15.258  -7.931  -0.456
  253    H    VAL  36           H        VAL  36 -11.876  -6.721   1.044
  254    HA   VAL  36           HA       VAL  36 -11.809  -9.716   0.979
  255    HB   VAL  36           HB       VAL  36 -10.317  -7.899  -0.922
  256   HG11  VAL  36          1HG1      VAL  36  -9.483 -10.201  -0.825
  257   HG12  VAL  36          2HG1      VAL  36 -11.127 -10.830  -1.077
  258   HG13  VAL  36          3HG1      VAL  36 -10.301  -9.922  -2.361
  259   HG21  VAL  36          3HG2      VAL  36 -13.070  -9.113  -1.363
  260   HG22  VAL  36          1HG2      VAL  36 -12.667  -7.379  -1.335
  261   HG23  VAL  36          2HG2      VAL  36 -12.053  -8.396  -2.632
  262    H    SER  37           H        SER  37 -10.055  -6.806   1.861
  263    HA   SER  37           HA       SER  37  -7.504  -8.033   2.408
  264    HB2  SER  37           1HB      SER  37  -6.995  -5.918   3.553
  265    HB3  SER  37           2HB      SER  37  -7.656  -5.681   1.925
  266    HG   SER  37           HG       SER  37  -8.638  -4.285   3.519
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  20.705  -7.665  -1.006
    2    H2   GLY   1           2H       GLY   1  20.109  -7.673   0.522
    3    H3   GLY   1           3H       GLY   1  21.374  -6.705   0.138
    4    HA2  GLY   1           1HA      GLY   1  18.628  -6.443  -0.909
    5    HA3  GLY   1           2HA      GLY   1  19.367  -5.396   0.316
    6    H    SER   2           H        SER   2  18.893  -3.611  -1.114
    7    HA   SER   2           HA       SER   2  21.096  -3.032  -2.986
    8    HB2  SER   2           1HB      SER   2  19.218  -4.068  -4.340
    9    HB3  SER   2           2HB      SER   2  18.208  -2.684  -3.877
   10    HG   SER   2           HG       SER   2  19.304  -2.396  -5.903
   11    H    SER   3           H        SER   3  21.219  -0.750  -3.538
   12    HA   SER   3           HA       SER   3  20.880   0.914  -1.217
   13    HB2  SER   3           1HB      SER   3  21.733   1.663  -4.036
   14    HB3  SER   3           2HB      SER   3  21.934   2.660  -2.582
   15    HG   SER   3           HG       SER   3  23.836   1.466  -3.094
   16    H    GLY   4           H        GLY   4  19.691   2.778  -0.882
   17    HA2  GLY   4           1HA      GLY   4  18.025   4.124  -2.732
   18    HA3  GLY   4           2HA      GLY   4  17.022   2.966  -1.854
   19    H    SER   5           H        SER   5  16.565   5.702  -1.707
   20    HA   SER   5           HA       SER   5  16.769   6.186   1.178
   21    HB2  SER   5           1HB      SER   5  18.879   7.169   0.216
   22    HB3  SER   5           2HB      SER   5  17.877   8.250  -0.770
   23    HG   SER   5           HG       SER   5  18.565   9.193   1.238
   24    H    SER   6           H        SER   6  15.364   7.813   1.901
   25    HA   SER   6           HA       SER   6  13.400   8.826   2.175
   26    HB2  SER   6           1HB      SER   6  14.485  10.451   0.683
   27    HB3  SER   6           2HB      SER   6  13.651   9.722  -0.703
   28    HG   SER   6           HG       SER   6  12.529  11.542   0.184
   29    H    GLY   7           H        GLY   7  13.054   7.338  -1.086
   30    HA2  GLY   7           1HA      GLY   7  10.206   6.785  -0.723
   31    HA3  GLY   7           2HA      GLY   7  11.221   6.284  -2.071
   32    H    ARG   8           H        ARG   8   9.283   4.657  -0.988
   33    HA   ARG   8           HA       ARG   8  10.845   2.274  -0.194
   34    HB2  ARG   8           1HB      ARG   8  10.120   3.219   1.944
   35    HB3  ARG   8           2HB      ARG   8   8.451   3.334   1.377
   36    HG2  ARG   8           1HG      ARG   8   8.245   0.909   1.294
   37    HG3  ARG   8           2HG      ARG   8   9.973   0.705   1.656
   38    HD2  ARG   8           1HD      ARG   8   9.629   1.716   3.887
   39    HD3  ARG   8           2HD      ARG   8   7.938   2.018   3.503
   40    HE   ARG   8           HE       ARG   8   7.409  -0.228   3.784
   41   HH11  ARG   8          2HH1      ARG   8  10.899   0.058   4.023
   42   HH12  ARG   8          1HH1      ARG   8  11.074  -1.563   4.639
   43   HH21  ARG   8          2HH2      ARG   8   7.712  -2.273   4.577
   44   HH22  ARG   8          1HH2      ARG   8   9.315  -2.839   4.943
   45    H    SER   9           H        SER   9   9.985   0.358  -0.930
   46    HA   SER   9           HA       SER   9   7.794   0.531  -2.920
   47    HB2  SER   9           1HB      SER   9   9.680  -1.755  -2.263
   48    HB3  SER   9           2HB      SER   9   8.484  -1.721  -3.573
   49    HG   SER   9           HG       SER   9  10.597  -1.130  -4.291
   50    H    TYR  10           H        TYR  10   5.855  -0.358  -2.706
   51    HA   TYR  10           HA       TYR  10   5.195  -2.118  -0.375
   52    HB2  TYR  10           1HB      TYR  10   3.463   0.059  -1.604
   53    HB3  TYR  10           2HB      TYR  10   3.025  -0.994  -0.273
   54    HD1  TYR  10           2HD      TYR  10   5.231   1.829  -1.300
   55    HD2  TYR  10           1HD      TYR  10   3.668  -0.468   2.001
   56    HE1  TYR  10           2HE      TYR  10   6.101   3.527   0.284
   57    HE2  TYR  10           1HE      TYR  10   4.509   1.262   3.589
   58    HH   TYR  10           HH       TYR  10   6.259   4.188   2.479
   59    H    SER  11           H        SER  11   3.594  -3.745  -0.818
   60    HA   SER  11           HA       SER  11   2.728  -4.079  -3.645
   61    HB2  SER  11           1HB      SER  11   4.813  -5.371  -3.342
   62    HB3  SER  11           2HB      SER  11   4.043  -6.281  -2.025
   63    HG   SER  11           HG       SER  11   3.918  -7.322  -4.104
   64    H    CYS  12           H        CYS  12   0.701  -4.769  -3.882
   65    HA   CYS  12           HA       CYS  12  -1.159  -4.661  -1.832
   66    HB2  CYS  12           1HB      CYS  12  -1.684  -4.289  -4.137
   67    HB3  CYS  12           2HB      CYS  12  -1.300  -5.972  -4.544
   68    HA   PRO  13           HA       PRO  13  -0.721  -8.775  -0.002
   69    HB2  PRO  13           1HB      PRO  13  -2.685  -8.659   1.892
   70    HB3  PRO  13           2HB      PRO  13  -1.162  -7.728   2.014
   71    HG2  PRO  13           1HG      PRO  13  -3.853  -6.763   0.997
   72    HG3  PRO  13           2HG      PRO  13  -2.774  -5.975   2.188
   73    HD2  PRO  13           1HD      PRO  13  -2.790  -5.288  -0.459
   74    HD3  PRO  13           2HD      PRO  13  -1.286  -5.262   0.512
   75    H    VAL  14           H        VAL  14  -3.330  -7.693  -1.939
   76    HA   VAL  14           HA       VAL  14  -4.711 -10.355  -1.844
   77    HB   VAL  14           HB       VAL  14  -5.836  -7.752  -2.887
   78   HG11  VAL  14          1HG1      VAL  14  -8.014  -8.915  -2.609
   79   HG12  VAL  14          2HG1      VAL  14  -6.981  -9.737  -3.776
   80   HG13  VAL  14          3HG1      VAL  14  -7.153 -10.395  -2.132
   81   HG21  VAL  14          3HG2      VAL  14  -6.163  -9.018  -0.139
   82   HG22  VAL  14          1HG2      VAL  14  -5.487  -7.415  -0.513
   83   HG23  VAL  14          2HG2      VAL  14  -7.198  -7.721  -0.780
   84    H    CYS  15           H        CYS  15  -3.272  -7.978  -4.103
   85    HA   CYS  15           HA       CYS  15  -3.347 -10.062  -6.221
   86    HB2  CYS  15           1HB      CYS  15  -4.205  -8.632  -7.826
   87    HB3  CYS  15           2HB      CYS  15  -5.327  -8.637  -6.468
   88    H    GLU  16           H        GLU  16  -1.284  -8.396  -4.547
   89    HA   GLU  16           HA       GLU  16   0.908  -7.878  -4.682
   90    HB2  GLU  16           1HB      GLU  16   0.893  -9.932  -6.906
   91    HB3  GLU  16           2HB      GLU  16   2.301  -9.395  -5.985
   92    HG2  GLU  16           1HG      GLU  16   1.237 -10.207  -3.886
   93    HG3  GLU  16           2HG      GLU  16  -0.117 -10.839  -4.825
   94    H    LYS  17           H        LYS  17  -0.815  -6.163  -6.464
   95    HA   LYS  17           HA       LYS  17   1.047  -5.087  -8.450
   96    HB2  LYS  17           1HB      LYS  17  -1.505  -4.004  -7.202
   97    HB3  LYS  17           2HB      LYS  17  -0.561  -3.106  -8.403
   98    HG2  LYS  17           1HG      LYS  17  -0.863  -4.805 -10.084
   99    HG3  LYS  17           2HG      LYS  17  -1.512  -5.935  -8.900
  100    HD2  LYS  17           1HD      LYS  17  -3.445  -4.262  -8.549
  101    HD3  LYS  17           2HD      LYS  17  -2.820  -3.391  -9.950
  102    HE2  LYS  17           1HE      LYS  17  -4.643  -4.857 -10.620
  103    HE3  LYS  17           2HE      LYS  17  -3.136  -5.415 -11.356
  104    HZ1  LYS  17           3HZ      LYS  17  -3.011  -7.166  -9.727
  105    HZ2  LYS  17           1HZ      LYS  17  -4.535  -7.210 -10.325
  106    HZ3  LYS  17           2HZ      LYS  17  -4.228  -6.566  -8.837
  107    H    SER  18           H        SER  18   2.345  -3.351  -8.327
  108    HA   SER  18           HA       SER  18   3.378  -2.800  -5.625
  109    HB2  SER  18           1HB      SER  18   5.417  -2.030  -6.791
  110    HB3  SER  18           2HB      SER  18   4.971  -3.715  -7.108
  111    HG   SER  18           HG       SER  18   5.560  -2.598  -9.031
  112    H    PHE  19           H        PHE  19   3.851  -0.859  -4.756
  113    HA   PHE  19           HA       PHE  19   2.950   1.660  -6.060
  114    HB2  PHE  19           1HB      PHE  19   2.071   0.719  -3.301
  115    HB3  PHE  19           2HB      PHE  19   1.717   2.283  -4.011
  116    HD1  PHE  19           2HD      PHE  19   0.216   2.444  -6.040
  117    HD2  PHE  19           1HD      PHE  19   0.766  -1.245  -3.867
  118    HE1  PHE  19           2HE      PHE  19  -1.764   1.471  -7.183
  119    HE2  PHE  19           1HE      PHE  19  -1.204  -2.212  -5.021
  120    HZ   PHE  19           HZ       PHE  19  -2.451  -0.869  -6.703
  121    H    SER  20           H        SER  20   3.774   3.576  -5.070
  122    HA   SER  20           HA       SER  20   6.448   3.171  -3.833
  123    HB2  SER  20           1HB      SER  20   5.330   5.573  -5.308
  124    HB3  SER  20           2HB      SER  20   7.009   5.326  -4.790
  125    HG   SER  20           HG       SER  20   6.690   4.774  -7.000
  126    H    GLU  21           H        GLU  21   3.456   4.001  -2.627
  127    HA   GLU  21           HA       GLU  21   4.626   5.398  -0.305
  128    HB2  GLU  21           1HB      GLU  21   2.219   6.524  -1.771
  129    HB3  GLU  21           2HB      GLU  21   2.921   7.128  -0.274
  130    HG2  GLU  21           1HG      GLU  21   5.011   7.710  -1.511
  131    HG3  GLU  21           2HG      GLU  21   4.220   7.234  -3.026
  132    H    ASP  22           H        ASP  22   3.418   5.143   1.600
  133    HA   ASP  22           HA       ASP  22   1.790   2.845   1.882
  134    HB2  ASP  22           1HB      ASP  22   3.149   3.879   3.662
  135    HB3  ASP  22           2HB      ASP  22   2.078   5.281   3.679
  136    H    ARG  23           H        ARG  23   0.866   6.258   1.430
  137    HA   ARG  23           HA       ARG  23  -1.979   5.849   1.766
  138    HB2  ARG  23           1HB      ARG  23  -2.244   8.084   0.850
  139    HB3  ARG  23           2HB      ARG  23  -0.996   8.033   2.092
  140    HG2  ARG  23           1HG      ARG  23   0.762   8.050   0.330
  141    HG3  ARG  23           2HG      ARG  23  -0.493   8.123  -0.924
  142    HD2  ARG  23           1HD      ARG  23  -1.261  10.283  -0.105
  143    HD3  ARG  23           2HD      ARG  23  -0.170  10.180   1.295
  144    HE   ARG  23           HE       ARG  23   1.273   9.955  -1.218
  145   HH11  ARG  23          2HH1      ARG  23  -0.231  12.463   0.719
  146   HH12  ARG  23          1HH1      ARG  23   0.965  13.645   0.256
  147   HH21  ARG  23          2HH2      ARG  23   2.857  11.386  -1.553
  148   HH22  ARG  23          1HH2      ARG  23   2.651  13.063  -1.079
  149    H    LEU  24           H        LEU  24   0.114   5.356  -1.009
  150    HA   LEU  24           HA       LEU  24  -2.085   5.288  -2.945
  151    HB2  LEU  24           1HB      LEU  24   0.821   4.403  -3.095
  152    HB3  LEU  24           2HB      LEU  24  -0.309   4.268  -4.435
  153    HG   LEU  24           HG       LEU  24   0.432   6.908  -3.110
  154   HD11  LEU  24          1HD1      LEU  24   1.387   5.676  -5.735
  155   HD12  LEU  24          2HD1      LEU  24   2.361   5.851  -4.257
  156   HD13  LEU  24          3HD1      LEU  24   1.801   7.291  -5.116
  157   HD21  LEU  24          3HD2      LEU  24  -1.082   6.286  -5.684
  158   HD22  LEU  24          1HD2      LEU  24  -0.541   7.900  -5.169
  159   HD23  LEU  24          2HD2      LEU  24  -1.750   7.041  -4.216
  160    H    ILE  25           H        ILE  25  -0.138   2.773  -1.230
  161    HA   ILE  25           HA       ILE  25  -1.737   0.640  -2.339
  162    HB   ILE  25           HB       ILE  25   0.508   0.223  -1.536
  163   HG12  ILE  25          1HG1      ILE  25  -1.578  -1.387  -0.006
  164   HG13  ILE  25          2HG1      ILE  25  -1.249  -1.560  -1.732
  165   HG21  ILE  25          1HG2      ILE  25  -0.588   0.532   1.292
  166   HG22  ILE  25          2HG2      ILE  25   1.062   0.068   0.839
  167   HG23  ILE  25          3HG2      ILE  25   0.497   1.684   0.469
  168   HD11  ILE  25          3HD1      ILE  25  -0.140  -3.295  -0.441
  169   HD12  ILE  25          1HD1      ILE  25   1.063  -2.255  -1.236
  170   HD13  ILE  25          2HD1      ILE  25   0.740  -2.110   0.514
  171    H    LYS  26           H        LYS  26  -2.076   2.510   0.748
  172    HA   LYS  26           HA       LYS  26  -4.398   1.077   1.654
  173    HB2  LYS  26           1HB      LYS  26  -3.396   3.909   2.116
  174    HB3  LYS  26           2HB      LYS  26  -4.954   3.365   2.750
  175    HG2  LYS  26           1HG      LYS  26  -3.882   1.500   3.941
  176    HG3  LYS  26           2HG      LYS  26  -2.290   2.012   3.351
  177    HD2  LYS  26           1HD      LYS  26  -2.472   4.135   4.566
  178    HD3  LYS  26           2HD      LYS  26  -4.154   3.793   4.985
  179    HE2  LYS  26           1HE      LYS  26  -2.837   3.377   6.932
  180    HE3  LYS  26           2HE      LYS  26  -3.436   1.828   6.330
  181    HZ1  LYS  26           3HZ      LYS  26  -0.709   2.910   5.828
  182    HZ2  LYS  26           1HZ      LYS  26  -1.232   1.446   5.348
  183    HZ3  LYS  26           2HZ      LYS  26  -1.060   1.761   6.942
  184    H    SER  27           H        SER  27  -4.201   3.901  -0.559
  185    HA   SER  27           HA       SER  27  -7.016   4.119  -1.014
  186    HB2  SER  27           1HB      SER  27  -4.720   4.744  -2.915
  187    HB3  SER  27           2HB      SER  27  -6.409   5.228  -3.135
  188    HG   SER  27           HG       SER  27  -4.586   6.021  -1.107
  189    H    HIS  28           H        HIS  28  -4.555   2.110  -2.737
  190    HA   HIS  28           HA       HIS  28  -6.376   0.936  -4.587
  191    HB2  HIS  28           1HB      HIS  28  -3.990   0.796  -4.920
  192    HB3  HIS  28           2HB      HIS  28  -3.759  -0.054  -3.397
  193    HD1  HIS  28           1HD      HIS  28  -5.584  -0.742  -6.764
  194    HD2  HIS  28           2HD      HIS  28  -3.738  -2.641  -3.498
  195    HE1  HIS  28           1HE      HIS  28  -5.587  -3.216  -7.317
  196    H    ILE  29           H        ILE  29  -5.325  -0.300  -1.371
  197    HA   ILE  29           HA       ILE  29  -6.928  -2.650  -1.394
  198    HB   ILE  29           HB       ILE  29  -5.891  -0.947   0.895
  199   HG12  ILE  29          1HG1      ILE  29  -4.976  -3.663  -0.183
  200   HG13  ILE  29          2HG1      ILE  29  -4.215  -2.134  -0.603
  201   HG21  ILE  29          1HG2      ILE  29  -7.849  -2.177   1.729
  202   HG22  ILE  29          2HG2      ILE  29  -7.225  -3.692   1.042
  203   HG23  ILE  29          3HG2      ILE  29  -6.394  -2.881   2.389
  204   HD11  ILE  29          3HD1      ILE  29  -3.677  -1.751   1.813
  205   HD12  ILE  29          1HD1      ILE  29  -4.249  -3.405   2.151
  206   HD13  ILE  29          2HD1      ILE  29  -2.875  -3.152   1.075
  207    H    LYS  30           H        LYS  30  -7.786   0.661  -0.293
  208    HA   LYS  30           HA       LYS  30 -10.434  -0.094   0.592
  209    HB2  LYS  30           1HB      LYS  30  -9.137   2.582  -0.042
  210    HB3  LYS  30           2HB      LYS  30 -10.804   2.436   0.530
  211    HG2  LYS  30           1HG      LYS  30 -10.081   1.301   2.571
  212    HG3  LYS  30           2HG      LYS  30  -8.393   1.333   2.043
  213    HD2  LYS  30           1HD      LYS  30  -8.430   3.815   2.043
  214    HD3  LYS  30           2HD      LYS  30 -10.129   3.785   2.570
  215    HE2  LYS  30           1HE      LYS  30  -9.443   2.514   4.613
  216    HE3  LYS  30           2HE      LYS  30  -7.755   2.616   4.097
  217    HZ1  LYS  30           3HZ      LYS  30  -7.938   5.054   4.249
  218    HZ2  LYS  30           1HZ      LYS  30  -8.303   4.371   5.686
  219    HZ3  LYS  30           2HZ      LYS  30  -9.494   4.945   4.732
  220    H    THR  31           H        THR  31  -9.298   1.033  -2.600
  221    HA   THR  31           HA       THR  31 -12.035   1.333  -3.597
  222    HB   THR  31           HB       THR  31 -10.834   1.824  -5.730
  223    HG1  THR  31           1HG      THR  31  -8.504   2.001  -4.199
  224   HG21  THR  31          3HG2      THR  31 -11.490   3.669  -4.284
  225   HG22  THR  31          1HG2      THR  31  -9.911   4.002  -5.014
  226   HG23  THR  31          2HG2      THR  31 -10.016   3.486  -3.315
  227    H    ASN  32           H        ASN  32  -9.396  -1.017  -4.012
  228    HA   ASN  32           HA       ASN  32 -11.002  -2.514  -6.030
  229    HB2  ASN  32           1HB      ASN  32  -8.061  -2.581  -5.237
  230    HB3  ASN  32           2HB      ASN  32  -8.802  -3.743  -6.320
  231   HD21  ASN  32          1HD2      ASN  32  -8.480  -0.113  -6.010
  232   HD22  ASN  32          2HD2      ASN  32  -8.349   0.080  -7.746
  233    H    HIS  33           H        HIS  33  -9.952  -2.839  -2.690
  234    HA   HIS  33           HA       HIS  33 -11.084  -5.599  -2.593
  235    HB2  HIS  33           1HB      HIS  33  -8.599  -4.686  -1.115
  236    HB3  HIS  33           2HB      HIS  33  -9.246  -6.316  -1.237
  237    HD1  HIS  33           1HD      HIS  33  -9.445  -6.855  -4.255
  238    HD2  HIS  33           2HD      HIS  33  -6.441  -4.519  -2.488
  239    HE1  HIS  33           1HE      HIS  33  -7.522  -6.845  -5.910
  240    HA   PRO  34           HA       PRO  34 -12.641  -2.435   0.649
  241    HB2  PRO  34           1HB      PRO  34 -15.333  -2.507   0.103
  242    HB3  PRO  34           2HB      PRO  34 -14.166  -1.402  -0.695
  243    HG2  PRO  34           1HG      PRO  34 -15.205  -4.074  -1.704
  244    HG3  PRO  34           2HG      PRO  34 -15.130  -2.510  -2.586
  245    HD2  PRO  34           1HD      PRO  34 -13.186  -4.340  -2.911
  246    HD3  PRO  34           2HD      PRO  34 -12.769  -2.608  -2.745
  247    H    GLU  35           H        GLU  35 -13.885  -5.649  -0.253
  248    HA   GLU  35           HA       GLU  35 -15.073  -6.115   2.407
  249    HB2  GLU  35           1HB      GLU  35 -15.714  -8.263   1.597
  250    HB3  GLU  35           2HB      GLU  35 -16.197  -7.029   0.449
  251    HG2  GLU  35           1HG      GLU  35 -13.673  -8.701   0.080
  252    HG3  GLU  35           2HG      GLU  35 -15.254  -9.246  -0.444
  253    H    VAL  36           H        VAL  36 -11.994  -5.951   1.403
  254    HA   VAL  36           HA       VAL  36 -10.930  -8.016   3.274
  255    HB   VAL  36           HB       VAL  36  -9.225  -6.916   1.069
  256   HG11  VAL  36          1HG1      VAL  36  -8.339  -8.575   2.683
  257   HG12  VAL  36          2HG1      VAL  36  -9.621  -9.715   2.221
  258   HG13  VAL  36          3HG1      VAL  36  -8.377  -9.238   1.046
  259   HG21  VAL  36          3HG2      VAL  36 -11.367  -9.008   0.507
  260   HG22  VAL  36          1HG2      VAL  36 -11.249  -7.396  -0.239
  261   HG23  VAL  36          2HG2      VAL  36 -10.007  -8.605  -0.562
  262    H    SER  37           H        SER  37 -11.435  -4.777   3.012
  263    HA   SER  37           HA       SER  37  -8.922  -3.602   3.866
  264    HB2  SER  37           1HB      SER  37 -11.779  -2.560   3.854
  265    HB3  SER  37           2HB      SER  37 -10.351  -1.588   4.256
  266    HG   SER  37           HG       SER  37 -10.508  -3.074   1.832
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  24.387  -1.831  -7.329
    2    H2   GLY   1           2H       GLY   1  23.090  -1.782  -8.326
    3    H3   GLY   1           3H       GLY   1  23.405  -3.136  -7.461
    4    HA2  GLY   1           1HA      GLY   1  21.569  -1.937  -6.474
    5    HA3  GLY   1           2HA      GLY   1  22.969  -2.011  -5.388
    6    H    SER   2           H        SER   2  20.845  -0.061  -5.314
    7    HA   SER   2           HA       SER   2  21.679   2.441  -6.472
    8    HB2  SER   2           1HB      SER   2  19.791   1.908  -4.151
    9    HB3  SER   2           2HB      SER   2  19.935   3.424  -5.063
   10    HG   SER   2           HG       SER   2  18.206   2.101  -5.823
   11    H    SER   3           H        SER   3  22.534   4.281  -5.517
   12    HA   SER   3           HA       SER   3  23.808   4.093  -2.824
   13    HB2  SER   3           1HB      SER   3  25.195   4.985  -5.384
   14    HB3  SER   3           2HB      SER   3  25.849   5.160  -3.747
   15    HG   SER   3           HG       SER   3  26.631   3.275  -4.814
   16    H    GLY   4           H        GLY   4  24.061   6.037  -1.745
   17    HA2  GLY   4           1HA      GLY   4  23.883   8.268  -1.229
   18    HA3  GLY   4           2HA      GLY   4  23.640   8.631  -2.934
   19    H    SER   5           H        SER   5  21.221   6.503  -2.346
   20    HA   SER   5           HA       SER   5  19.258   8.404  -1.165
   21    HB2  SER   5           1HB      SER   5  18.969   7.039  -3.872
   22    HB3  SER   5           2HB      SER   5  17.678   7.903  -3.019
   23    HG   SER   5           HG       SER   5  18.734   9.219  -4.583
   24    H    SER   6           H        SER   6  17.398   7.456  -0.335
   25    HA   SER   6           HA       SER   6  17.220   4.482  -0.164
   26    HB2  SER   6           1HB      SER   6  17.135   6.399   2.199
   27    HB3  SER   6           2HB      SER   6  16.786   4.662   2.261
   28    HG   SER   6           HG       SER   6  18.950   5.148   2.876
   29    H    GLY   7           H        GLY   7  15.144   3.672   0.420
   30    HA2  GLY   7           1HA      GLY   7  12.827   5.214   0.981
   31    HA3  GLY   7           2HA      GLY   7  12.909   4.967  -0.764
   32    H    ARG   8           H        ARG   8  10.766   3.956   0.104
   33    HA   ARG   8           HA       ARG   8  11.103   1.006   0.139
   34    HB2  ARG   8           1HB      ARG   8  10.888   1.713   2.506
   35    HB3  ARG   8           2HB      ARG   8   9.369   2.537   2.135
   36    HG2  ARG   8           1HG      ARG   8   8.299   0.401   1.571
   37    HG3  ARG   8           2HG      ARG   8   9.843  -0.455   1.763
   38    HD2  ARG   8           1HD      ARG   8   9.864   0.191   4.175
   39    HD3  ARG   8           2HD      ARG   8   8.333   1.033   3.949
   40    HE   ARG   8           HE       ARG   8   7.179  -0.997   3.785
   41   HH11  ARG   8          2HH1      ARG   8  10.604  -1.732   3.987
   42   HH12  ARG   8          1HH1      ARG   8  10.311  -3.423   4.286
   43   HH21  ARG   8          2HH2      ARG   8   6.886  -3.157   4.194
   44   HH22  ARG   8          1HH2      ARG   8   8.263  -4.199   4.398
   45    H    SER   9           H        SER   9   9.489  -0.123  -0.808
   46    HA   SER   9           HA       SER   9   7.085   1.282  -1.881
   47    HB2  SER   9           1HB      SER   9   8.724  -0.831  -3.324
   48    HB3  SER   9           2HB      SER   9   7.161  -0.185  -3.862
   49    HG   SER   9           HG       SER   9   8.977   0.867  -4.849
   50    H    TYR  10           H        TYR  10   5.256  -0.097  -2.193
   51    HA   TYR  10           HA       TYR  10   5.088  -2.348  -0.215
   52    HB2  TYR  10           1HB      TYR  10   3.029  -0.174  -0.746
   53    HB3  TYR  10           2HB      TYR  10   2.976  -1.414   0.497
   54    HD1  TYR  10           1HD      TYR  10   4.625   1.744  -0.583
   55    HD2  TYR  10           2HD      TYR  10   4.118  -1.105   2.619
   56    HE1  TYR  10           1HE      TYR  10   5.767   3.305   0.990
   57    HE2  TYR  10           2HE      TYR  10   5.194   0.489   4.204
   58    HH   TYR  10           HH       TYR  10   6.189   2.541   4.464
   59    H    SER  11           H        SER  11   3.967  -4.168  -0.919
   60    HA   SER  11           HA       SER  11   2.635  -4.020  -3.584
   61    HB2  SER  11           1HB      SER  11   3.241  -6.378  -3.880
   62    HB3  SER  11           2HB      SER  11   4.631  -5.286  -3.772
   63    HG   SER  11           HG       SER  11   4.923  -7.180  -2.503
   64    H    CYS  12           H        CYS  12   0.708  -4.907  -3.960
   65    HA   CYS  12           HA       CYS  12  -1.181  -4.885  -1.948
   66    HB2  CYS  12           1HB      CYS  12  -1.653  -4.454  -4.262
   67    HB3  CYS  12           2HB      CYS  12  -1.275  -6.130  -4.697
   68    HA   PRO  13           HA       PRO  13  -0.755  -9.041  -0.218
   69    HB2  PRO  13           1HB      PRO  13  -2.769  -8.986   1.625
   70    HB3  PRO  13           2HB      PRO  13  -1.257  -8.048   1.811
   71    HG2  PRO  13           1HG      PRO  13  -3.927  -7.077   0.744
   72    HG3  PRO  13           2HG      PRO  13  -2.887  -6.311   1.986
   73    HD2  PRO  13           1HD      PRO  13  -2.837  -5.556  -0.638
   74    HD3  PRO  13           2HD      PRO  13  -1.360  -5.545   0.370
   75    H    VAL  14           H        VAL  14  -3.328  -7.920  -2.183
   76    HA   VAL  14           HA       VAL  14  -4.649 -10.617  -2.251
   77    HB   VAL  14           HB       VAL  14  -5.808  -7.933  -3.040
   78   HG11  VAL  14          1HG1      VAL  14  -7.090 -10.690  -2.801
   79   HG12  VAL  14          2HG1      VAL  14  -7.974  -9.170  -3.053
   80   HG13  VAL  14          3HG1      VAL  14  -6.870  -9.751  -4.296
   81   HG21  VAL  14          3HG2      VAL  14  -7.261  -8.221  -1.035
   82   HG22  VAL  14          1HG2      VAL  14  -6.298  -9.640  -0.562
   83   HG23  VAL  14          2HG2      VAL  14  -5.565  -8.020  -0.608
   84    H    CYS  15           H        CYS  15  -3.293  -8.037  -4.337
   85    HA   CYS  15           HA       CYS  15  -3.310  -9.952  -6.597
   86    HB2  CYS  15           1HB      CYS  15  -4.356  -8.533  -8.056
   87    HB3  CYS  15           2HB      CYS  15  -5.398  -8.661  -6.643
   88    H    GLU  16           H        GLU  16  -1.268  -8.761  -4.920
   89    HA   GLU  16           HA       GLU  16   0.938  -8.344  -4.949
   90    HB2  GLU  16           1HB      GLU  16   0.735  -9.663  -7.669
   91    HB3  GLU  16           2HB      GLU  16   2.208  -9.492  -6.712
   92    HG2  GLU  16           1HG      GLU  16   1.154 -10.801  -4.866
   93    HG3  GLU  16           2HG      GLU  16  -0.263 -11.070  -5.883
   94    H    LYS  17           H        LYS  17  -0.687  -6.363  -7.139
   95    HA   LYS  17           HA       LYS  17   1.474  -5.062  -8.477
   96    HB2  LYS  17           1HB      LYS  17  -1.326  -4.219  -7.693
   97    HB3  LYS  17           2HB      LYS  17  -0.231  -3.065  -8.459
   98    HG2  LYS  17           1HG      LYS  17   0.035  -4.368 -10.420
   99    HG3  LYS  17           2HG      LYS  17  -0.709  -5.794  -9.710
  100    HD2  LYS  17           1HD      LYS  17  -2.194  -3.170 -10.205
  101    HD3  LYS  17           2HD      LYS  17  -2.159  -4.511 -11.361
  102    HE2  LYS  17           1HE      LYS  17  -3.264  -4.588  -8.527
  103    HE3  LYS  17           2HE      LYS  17  -4.224  -4.482 -10.003
  104    HZ1  LYS  17           3HZ      LYS  17  -2.458  -6.784  -9.327
  105    HZ2  LYS  17           1HZ      LYS  17  -3.513  -6.700 -10.598
  106    HZ3  LYS  17           2HZ      LYS  17  -4.033  -6.717  -9.023
  107    H    SER  18           H        SER  18   2.642  -3.211  -8.125
  108    HA   SER  18           HA       SER  18   3.188  -2.677  -5.254
  109    HB2  SER  18           1HB      SER  18   5.004  -2.450  -7.662
  110    HB3  SER  18           2HB      SER  18   5.452  -2.064  -5.988
  111    HG   SER  18           HG       SER  18   6.020  -4.224  -6.620
  112    H    PHE  19           H        PHE  19   3.576  -0.730  -4.414
  113    HA   PHE  19           HA       PHE  19   2.919   1.749  -5.944
  114    HB2  PHE  19           1HB      PHE  19   1.850   0.886  -3.229
  115    HB3  PHE  19           2HB      PHE  19   1.487   2.398  -4.045
  116    HD1  PHE  19           2HD      PHE  19   0.144   2.391  -6.191
  117    HD2  PHE  19           1HD      PHE  19   0.693  -1.170  -3.817
  118    HE1  PHE  19           2HE      PHE  19  -1.656   1.253  -7.472
  119    HE2  PHE  19           1HE      PHE  19  -1.113  -2.296  -5.097
  120    HZ   PHE  19           HZ       PHE  19  -2.256  -1.100  -6.948
  121    H    SER  20           H        SER  20   3.928   3.645  -5.212
  122    HA   SER  20           HA       SER  20   6.449   3.182  -3.819
  123    HB2  SER  20           1HB      SER  20   6.956   5.485  -4.606
  124    HB3  SER  20           2HB      SER  20   6.484   4.363  -5.892
  125    HG   SER  20           HG       SER  20   5.419   6.399  -6.072
  126    H    GLU  21           H        GLU  21   3.433   4.182  -2.645
  127    HA   GLU  21           HA       GLU  21   4.664   5.254  -0.171
  128    HB2  GLU  21           1HB      GLU  21   2.408   6.688  -1.625
  129    HB3  GLU  21           2HB      GLU  21   3.062   7.098  -0.041
  130    HG2  GLU  21           1HG      GLU  21   5.289   7.538  -1.126
  131    HG3  GLU  21           2HG      GLU  21   4.517   7.318  -2.706
  132    H    ASP  22           H        ASP  22   3.343   5.058   1.696
  133    HA   ASP  22           HA       ASP  22   1.715   2.737   1.783
  134    HB2  ASP  22           1HB      ASP  22   1.406   3.229   4.089
  135    HB3  ASP  22           2HB      ASP  22   3.065   3.620   3.660
  136    H    ARG  23           H        ARG  23   0.808   6.165   1.490
  137    HA   ARG  23           HA       ARG  23  -2.042   5.769   1.781
  138    HB2  ARG  23           1HB      ARG  23  -2.279   8.009   0.899
  139    HB3  ARG  23           2HB      ARG  23  -0.995   7.950   2.106
  140    HG2  ARG  23           1HG      ARG  23   0.714   7.944   0.299
  141    HG3  ARG  23           2HG      ARG  23  -0.573   7.991  -0.921
  142    HD2  ARG  23           1HD      ARG  23  -1.346  10.154  -0.070
  143    HD3  ARG  23           2HD      ARG  23  -0.112  10.115   1.209
  144    HE   ARG  23           HE       ARG  23   1.292   9.784  -1.206
  145   HH11  ARG  23          2HH1      ARG  23  -0.658  12.401   0.110
  146   HH12  ARG  23          1HH1      ARG  23   0.259  13.593  -0.775
  147   HH21  ARG  23          2HH2      ARG  23   2.364  11.214  -2.168
  148   HH22  ARG  23          1HH2      ARG  23   1.981  12.939  -2.089
  149    H    LEU  24           H        LEU  24   0.085   5.276  -0.961
  150    HA   LEU  24           HA       LEU  24  -2.086   5.284  -2.933
  151    HB2  LEU  24           1HB      LEU  24   0.824   4.418  -3.094
  152    HB3  LEU  24           2HB      LEU  24  -0.289   4.416  -4.458
  153    HG   LEU  24           HG       LEU  24   0.511   6.902  -2.882
  154   HD11  LEU  24          1HD1      LEU  24   1.393   5.930  -5.632
  155   HD12  LEU  24          2HD1      LEU  24   2.391   5.936  -4.161
  156   HD13  LEU  24          3HD1      LEU  24   1.851   7.465  -4.858
  157   HD21  LEU  24          3HD2      LEU  24  -1.686   7.210  -3.918
  158   HD22  LEU  24          1HD2      LEU  24  -1.071   6.590  -5.468
  159   HD23  LEU  24          2HD2      LEU  24  -0.471   8.128  -4.808
  160    H    ILE  25           H        ILE  25  -0.185   2.724  -1.241
  161    HA   ILE  25           HA       ILE  25  -1.761   0.621  -2.454
  162    HB   ILE  25           HB       ILE  25   0.456   0.167  -1.580
  163   HG12  ILE  25          1HG1      ILE  25  -1.677  -1.468  -0.148
  164   HG13  ILE  25          2HG1      ILE  25  -1.340  -1.580  -1.878
  165   HG21  ILE  25          1HG2      ILE  25  -0.744   0.436   1.211
  166   HG22  ILE  25          2HG2      ILE  25   0.908  -0.064   0.816
  167   HG23  ILE  25          3HG2      ILE  25   0.400   1.574   0.449
  168   HD11  ILE  25          3HD1      ILE  25   0.970  -2.288  -1.399
  169   HD12  ILE  25          1HD1      ILE  25   0.631  -2.232   0.351
  170   HD13  ILE  25          2HD1      ILE  25  -0.240  -3.370  -0.672
  171    H    LYS  26           H        LYS  26  -2.163   2.442   0.651
  172    HA   LYS  26           HA       LYS  26  -4.513   0.976   1.453
  173    HB2  LYS  26           1HB      LYS  26  -3.450   3.737   2.103
  174    HB3  LYS  26           2HB      LYS  26  -5.023   3.196   2.705
  175    HG2  LYS  26           1HG      LYS  26  -4.051   1.243   3.774
  176    HG3  LYS  26           2HG      LYS  26  -2.444   1.626   3.153
  177    HD2  LYS  26           1HD      LYS  26  -4.009   3.465   5.026
  178    HD3  LYS  26           2HD      LYS  26  -2.870   2.222   5.578
  179    HE2  LYS  26           1HE      LYS  26  -1.076   3.255   4.206
  180    HE3  LYS  26           2HE      LYS  26  -2.179   4.541   3.721
  181    HZ1  LYS  26           3HZ      LYS  26  -1.383   3.996   6.530
  182    HZ2  LYS  26           1HZ      LYS  26  -2.299   5.258   6.023
  183    HZ3  LYS  26           2HZ      LYS  26  -0.717   5.143   5.576
  184    H    SER  27           H        SER  27  -4.232   3.874  -0.640
  185    HA   SER  27           HA       SER  27  -7.019   4.157  -1.177
  186    HB2  SER  27           1HB      SER  27  -5.289   5.816  -1.780
  187    HB3  SER  27           2HB      SER  27  -4.667   4.715  -3.026
  188    HG   SER  27           HG       SER  27  -6.166   6.289  -3.841
  189    H    HIS  28           H        HIS  28  -4.548   2.144  -2.891
  190    HA   HIS  28           HA       HIS  28  -6.314   0.985  -4.790
  191    HB2  HIS  28           1HB      HIS  28  -3.931   0.799  -5.058
  192    HB3  HIS  28           2HB      HIS  28  -3.744  -0.014  -3.513
  193    HD1  HIS  28           1HD      HIS  28  -5.081  -0.772  -7.045
  194    HD2  HIS  28           2HD      HIS  28  -4.023  -2.626  -3.424
  195    HE1  HIS  28           1HE      HIS  28  -5.052  -3.258  -7.533
  196    H    ILE  29           H        ILE  29  -5.396  -0.258  -1.550
  197    HA   ILE  29           HA       ILE  29  -7.040  -2.589  -1.616
  198    HB   ILE  29           HB       ILE  29  -5.949  -0.918   0.677
  199   HG12  ILE  29          1HG1      ILE  29  -5.154  -3.671  -0.405
  200   HG13  ILE  29          2HG1      ILE  29  -4.331  -2.173  -0.819
  201   HG21  ILE  29          1HG2      ILE  29  -7.379  -3.607   0.841
  202   HG22  ILE  29          2HG2      ILE  29  -6.526  -2.817   2.184
  203   HG23  ILE  29          3HG2      ILE  29  -7.963  -2.072   1.523
  204   HD11  ILE  29          3HD1      ILE  29  -3.756  -1.835   1.593
  205   HD12  ILE  29          1HD1      ILE  29  -4.414  -3.458   1.929
  206   HD13  ILE  29          2HD1      ILE  29  -3.033  -3.273   0.845
  207    H    LYS  30           H        LYS  30  -7.839   0.739  -0.539
  208    HA   LYS  30           HA       LYS  30 -10.518  -0.007   0.322
  209    HB2  LYS  30           1HB      LYS  30  -9.129   2.654  -0.132
  210    HB3  LYS  30           2HB      LYS  30 -10.807   2.532   0.418
  211    HG2  LYS  30           1HG      LYS  30 -10.177   1.286   2.396
  212    HG3  LYS  30           2HG      LYS  30  -8.490   1.183   1.875
  213    HD2  LYS  30           1HD      LYS  30  -8.301   3.655   1.970
  214    HD3  LYS  30           2HD      LYS  30  -9.966   3.770   2.555
  215    HE2  LYS  30           1HE      LYS  30  -7.728   2.226   3.955
  216    HE3  LYS  30           2HE      LYS  30  -8.158   3.896   4.330
  217    HZ1  LYS  30           3HZ      LYS  30  -9.260   2.382   5.847
  218    HZ2  LYS  30           1HZ      LYS  30  -9.988   1.564   4.642
  219    HZ3  LYS  30           2HZ      LYS  30 -10.391   3.121   4.936
  220    H    THR  31           H        THR  31  -9.293   0.867  -2.849
  221    HA   THR  31           HA       THR  31 -12.027   1.262  -3.896
  222    HB   THR  31           HB       THR  31 -10.752   1.714  -6.007
  223    HG1  THR  31           1HG      THR  31  -8.518   2.024  -4.353
  224   HG21  THR  31          3HG2      THR  31 -11.559   3.560  -4.611
  225   HG22  THR  31          1HG2      THR  31  -9.983   3.953  -5.320
  226   HG23  THR  31          2HG2      THR  31 -10.094   3.475  -3.611
  227    H    ASN  32           H        ASN  32  -9.486  -1.206  -3.966
  228    HA   ASN  32           HA       ASN  32 -11.048  -2.772  -5.986
  229    HB2  ASN  32           1HB      ASN  32  -8.126  -2.929  -5.131
  230    HB3  ASN  32           2HB      ASN  32  -8.905  -4.004  -6.281
  231   HD21  ASN  32          1HD2      ASN  32  -8.045  -0.570  -5.754
  232   HD22  ASN  32          2HD2      ASN  32  -8.039  -0.179  -7.467
  233    H    HIS  33           H        HIS  33  -9.922  -2.954  -2.639
  234    HA   HIS  33           HA       HIS  33 -11.108  -5.674  -2.365
  235    HB2  HIS  33           1HB      HIS  33  -8.521  -4.833  -1.037
  236    HB3  HIS  33           2HB      HIS  33  -9.200  -6.451  -1.171
  237    HD1  HIS  33           1HD      HIS  33  -9.458  -6.916  -4.211
  238    HD2  HIS  33           2HD      HIS  33  -6.424  -4.610  -2.451
  239    HE1  HIS  33           1HE      HIS  33  -7.581  -6.830  -5.919
  240    HA   PRO  34           HA       PRO  34 -12.032  -2.231   0.888
  241    HB2  PRO  34           1HB      PRO  34 -14.774  -1.986   0.653
  242    HB3  PRO  34           2HB      PRO  34 -13.587  -1.057  -0.309
  243    HG2  PRO  34           1HG      PRO  34 -15.018  -3.623  -1.085
  244    HG3  PRO  34           2HG      PRO  34 -14.872  -2.107  -2.039
  245    HD2  PRO  34           1HD      PRO  34 -13.196  -4.159  -2.499
  246    HD3  PRO  34           2HD      PRO  34 -12.567  -2.482  -2.447
  247    H    GLU  35           H        GLU  35 -13.474  -5.380   0.369
  248    HA   GLU  35           HA       GLU  35 -14.832  -5.747   2.833
  249    HB2  GLU  35           1HB      GLU  35 -14.680  -8.120   2.353
  250    HB3  GLU  35           2HB      GLU  35 -15.091  -7.212   0.900
  251    HG2  GLU  35           1HG      GLU  35 -12.720  -7.376   0.130
  252    HG3  GLU  35           2HG      GLU  35 -12.315  -8.291   1.583
  253    H    VAL  36           H        VAL  36 -11.393  -5.530   2.336
  254    HA   VAL  36           HA       VAL  36 -10.800  -6.835   4.932
  255    HB   VAL  36           HB       VAL  36  -9.486  -7.141   2.727
  256   HG11  VAL  36          1HG1      VAL  36  -7.981  -4.700   3.745
  257   HG12  VAL  36          2HG1      VAL  36  -7.639  -5.688   2.312
  258   HG13  VAL  36          3HG1      VAL  36  -9.086  -4.668   2.361
  259   HG21  VAL  36          3HG2      VAL  36  -7.962  -6.647   5.308
  260   HG22  VAL  36          1HG2      VAL  36  -8.841  -8.132   4.876
  261   HG23  VAL  36          2HG2      VAL  36  -7.437  -7.623   3.923
  262    H    SER  37           H        SER  37 -11.704  -3.751   3.978
  263    HA   SER  37           HA       SER  37  -9.938  -2.147   5.664
  264    HB2  SER  37           1HB      SER  37 -10.980  -1.385   3.505
  265    HB3  SER  37           2HB      SER  37 -12.548  -1.341   4.334
  266    HG   SER  37           HG       SER  37 -11.682   0.180   5.792
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  21.941  -7.269 -11.839
    2    H2   GLY   1           2H       GLY   1  21.278  -5.912 -11.202
    3    H3   GLY   1           3H       GLY   1  20.707  -6.517 -12.613
    4    HA2  GLY   1           1HA      GLY   1  19.913  -8.509 -11.514
    5    HA3  GLY   1           2HA      GLY   1  20.517  -7.841  -9.987
    6    H    SER   2           H        SER   2  18.286  -8.111  -9.250
    7    HA   SER   2           HA       SER   2  16.071  -6.710 -10.379
    8    HB2  SER   2           1HB      SER   2  16.469  -7.676  -7.524
    9    HB3  SER   2           2HB      SER   2  14.925  -7.253  -8.289
   10    HG   SER   2           HG       SER   2  15.327  -9.518  -8.338
   11    H    SER   3           H        SER   3  14.896  -4.904  -9.639
   12    HA   SER   3           HA       SER   3  16.473  -2.653  -8.659
   13    HB2  SER   3           1HB      SER   3  14.373  -1.387  -9.035
   14    HB3  SER   3           2HB      SER   3  14.925  -2.286 -10.454
   15    HG   SER   3           HG       SER   3  12.667  -2.534 -10.091
   16    H    GLY   4           H        GLY   4  15.690  -1.210  -6.947
   17    HA2  GLY   4           1HA      GLY   4  13.895  -1.975  -4.873
   18    HA3  GLY   4           2HA      GLY   4  15.532  -2.442  -4.405
   19    H    SER   5           H        SER   5  14.537  -0.764  -2.722
   20    HA   SER   5           HA       SER   5  15.980   1.779  -3.130
   21    HB2  SER   5           1HB      SER   5  13.752   2.314  -3.980
   22    HB3  SER   5           2HB      SER   5  13.000   1.664  -2.511
   23    HG   SER   5           HG       SER   5  13.318   4.012  -2.585
   24    H    SER   6           H        SER   6  16.696   2.707  -1.235
   25    HA   SER   6           HA       SER   6  16.638   1.221   1.266
   26    HB2  SER   6           1HB      SER   6  17.844   3.213   2.134
   27    HB3  SER   6           2HB      SER   6  18.589   2.508   0.689
   28    HG   SER   6           HG       SER   6  18.437   4.805   0.565
   29    H    GLY   7           H        GLY   7  14.637   3.712  -0.170
   30    HA2  GLY   7           1HA      GLY   7  13.181   4.395   2.295
   31    HA3  GLY   7           2HA      GLY   7  12.793   4.875   0.640
   32    H    ARG   8           H        ARG   8  13.162   1.749   0.191
   33    HA   ARG   8           HA       ARG   8  11.872  -0.014  -0.299
   34    HB2  ARG   8           1HB      ARG   8  10.396   0.663   2.275
   35    HB3  ARG   8           2HB      ARG   8  10.274  -0.856   1.416
   36    HG2  ARG   8           1HG      ARG   8  12.853   0.220   2.647
   37    HG3  ARG   8           2HG      ARG   8  11.773  -0.973   3.371
   38    HD2  ARG   8           1HD      ARG   8  12.146  -2.485   1.427
   39    HD3  ARG   8           2HD      ARG   8  13.290  -1.332   0.751
   40    HE   ARG   8           HE       ARG   8  13.615  -2.881   3.292
   41   HH11  ARG   8          2HH1      ARG   8  15.223  -0.999   0.776
   42   HH12  ARG   8          1HH1      ARG   8  16.799  -1.539   1.305
   43   HH21  ARG   8          2HH2      ARG   8  15.651  -3.439   3.915
   44   HH22  ARG   8          1HH2      ARG   8  17.030  -2.827   3.051
   45    H    SER   9           H        SER   9   9.818  -0.938  -0.824
   46    HA   SER   9           HA       SER   9   7.743   0.985  -1.770
   47    HB2  SER   9           1HB      SER   9   8.844  -1.362  -3.361
   48    HB3  SER   9           2HB      SER   9   7.493  -0.315  -3.833
   49    HG   SER   9           HG       SER   9   9.480   0.322  -4.808
   50    H    TYR  10           H        TYR  10   5.663  -0.061  -2.180
   51    HA   TYR  10           HA       TYR  10   5.107  -2.253  -0.221
   52    HB2  TYR  10           1HB      TYR  10   3.280  -0.032  -1.194
   53    HB3  TYR  10           2HB      TYR  10   2.932  -1.219   0.055
   54    HD1  TYR  10           1HD      TYR  10   3.976  -1.061   2.294
   55    HD2  TYR  10           2HD      TYR  10   4.790   1.867  -0.769
   56    HE1  TYR  10           1HE      TYR  10   5.025   0.435   3.993
   57    HE2  TYR  10           2HE      TYR  10   5.878   3.335   0.923
   58    HH   TYR  10           HH       TYR  10   6.435   3.614   3.129
   59    H    SER  11           H        SER  11   3.527  -3.865  -0.786
   60    HA   SER  11           HA       SER  11   2.565  -3.880  -3.578
   61    HB2  SER  11           1HB      SER  11   3.133  -6.252  -3.873
   62    HB3  SER  11           2HB      SER  11   4.549  -5.199  -3.740
   63    HG   SER  11           HG       SER  11   4.779  -7.098  -2.475
   64    H    CYS  12           H        CYS  12   0.624  -4.746  -3.952
   65    HA   CYS  12           HA       CYS  12  -1.285  -4.641  -1.978
   66    HB2  CYS  12           1HB      CYS  12  -1.745  -4.320  -4.301
   67    HB3  CYS  12           2HB      CYS  12  -1.321  -5.997  -4.675
   68    HA   PRO  13           HA       PRO  13  -0.967  -8.683   0.002
   69    HB2  PRO  13           1HB      PRO  13  -3.120  -8.561   1.685
   70    HB3  PRO  13           2HB      PRO  13  -1.633  -7.599   1.930
   71    HG2  PRO  13           1HG      PRO  13  -4.221  -6.716   0.613
   72    HG3  PRO  13           2HG      PRO  13  -3.288  -5.875   1.891
   73    HD2  PRO  13           1HD      PRO  13  -3.031  -5.241  -0.747
   74    HD3  PRO  13           2HD      PRO  13  -1.630  -5.198   0.363
   75    H    VAL  14           H        VAL  14  -3.442  -7.750  -2.191
   76    HA   VAL  14           HA       VAL  14  -4.666 -10.495  -2.175
   77    HB   VAL  14           HB       VAL  14  -5.899  -7.891  -3.106
   78   HG11  VAL  14          1HG1      VAL  14  -7.074 -10.693  -2.846
   79   HG12  VAL  14          2HG1      VAL  14  -8.013  -9.221  -3.166
   80   HG13  VAL  14          3HG1      VAL  14  -6.839  -9.780  -4.355
   81   HG21  VAL  14          3HG2      VAL  14  -5.755  -7.907  -0.663
   82   HG22  VAL  14          1HG2      VAL  14  -7.420  -8.195  -1.156
   83   HG23  VAL  14          2HG2      VAL  14  -6.420  -9.556  -0.606
   84    H    CYS  15           H        CYS  15  -3.335  -7.972  -4.341
   85    HA   CYS  15           HA       CYS  15  -3.229 -10.010  -6.503
   86    HB2  CYS  15           1HB      CYS  15  -4.084  -8.586  -8.099
   87    HB3  CYS  15           2HB      CYS  15  -5.247  -8.655  -6.780
   88    H    GLU  16           H        GLU  16  -1.296  -8.458  -4.699
   89    HA   GLU  16           HA       GLU  16   0.898  -7.980  -4.648
   90    HB2  GLU  16           1HB      GLU  16   0.997  -9.753  -7.101
   91    HB3  GLU  16           2HB      GLU  16   2.358  -9.342  -6.057
   92    HG2  GLU  16           1HG      GLU  16   1.181 -10.379  -4.119
   93    HG3  GLU  16           2HG      GLU  16  -0.119 -10.891  -5.199
   94    H    LYS  17           H        LYS  17  -0.749  -6.256  -6.805
   95    HA   LYS  17           HA       LYS  17   1.244  -5.045  -8.463
   96    HB2  LYS  17           1HB      LYS  17  -1.363  -3.976  -7.319
   97    HB3  LYS  17           2HB      LYS  17  -0.371  -3.066  -8.472
   98    HG2  LYS  17           1HG      LYS  17  -0.612  -4.736 -10.185
   99    HG3  LYS  17           2HG      LYS  17  -1.291  -5.891  -9.041
  100    HD2  LYS  17           1HD      LYS  17  -3.248  -4.233  -8.726
  101    HD3  LYS  17           2HD      LYS  17  -2.584  -3.343 -10.098
  102    HE2  LYS  17           1HE      LYS  17  -4.365  -4.810 -10.856
  103    HE3  LYS  17           2HE      LYS  17  -2.828  -5.367 -11.528
  104    HZ1  LYS  17           3HZ      LYS  17  -4.256  -7.169 -10.570
  105    HZ2  LYS  17           1HZ      LYS  17  -4.051  -6.522  -9.067
  106    HZ3  LYS  17           2HZ      LYS  17  -2.774  -7.114  -9.877
  107    H    SER  18           H        SER  18   2.519  -3.290  -8.270
  108    HA   SER  18           HA       SER  18   3.438  -2.763  -5.521
  109    HB2  SER  18           1HB      SER  18   5.514  -1.966  -6.598
  110    HB3  SER  18           2HB      SER  18   5.092  -3.647  -6.961
  111    HG   SER  18           HG       SER  18   5.743  -2.492  -8.842
  112    H    PHE  19           H        PHE  19   3.894  -0.821  -4.623
  113    HA   PHE  19           HA       PHE  19   2.938   1.695  -5.899
  114    HB2  PHE  19           1HB      PHE  19   2.081   0.632  -3.181
  115    HB3  PHE  19           2HB      PHE  19   1.693   2.218  -3.822
  116    HD1  PHE  19           2HD      PHE  19   0.228   2.419  -5.892
  117    HD2  PHE  19           1HD      PHE  19   0.785  -1.316  -3.805
  118    HE1  PHE  19           2HE      PHE  19  -1.748   1.469  -7.059
  119    HE2  PHE  19           1HE      PHE  19  -1.181  -2.260  -4.982
  120    HZ   PHE  19           HZ       PHE  19  -2.433  -0.882  -6.630
  121    H    SER  20           H        SER  20   3.975   3.537  -5.239
  122    HA   SER  20           HA       SER  20   6.559   3.192  -3.971
  123    HB2  SER  20           1HB      SER  20   5.208   5.725  -4.963
  124    HB3  SER  20           2HB      SER  20   6.934   5.505  -4.616
  125    HG   SER  20           HG       SER  20   6.468   5.281  -6.857
  126    H    GLU  21           H        GLU  21   3.491   4.173  -2.691
  127    HA   GLU  21           HA       GLU  21   4.724   5.146  -0.168
  128    HB2  GLU  21           1HB      GLU  21   2.601   6.692  -1.707
  129    HB3  GLU  21           2HB      GLU  21   3.224   7.084  -0.106
  130    HG2  GLU  21           1HG      GLU  21   5.505   7.396  -1.116
  131    HG3  GLU  21           2HG      GLU  21   4.784   7.178  -2.719
  132    H    ASP  22           H        ASP  22   3.339   5.040   1.662
  133    HA   ASP  22           HA       ASP  22   1.567   2.853   1.795
  134    HB2  ASP  22           1HB      ASP  22   2.759   3.742   3.716
  135    HB3  ASP  22           2HB      ASP  22   1.865   5.262   3.615
  136    H    ARG  23           H        ARG  23   0.782   6.342   1.411
  137    HA   ARG  23           HA       ARG  23  -2.055   6.070   1.544
  138    HB2  ARG  23           1HB      ARG  23  -2.177   8.256   0.503
  139    HB3  ARG  23           2HB      ARG  23  -0.924   8.225   1.740
  140    HG2  ARG  23           1HG      ARG  23   0.822   8.032  -0.022
  141    HG3  ARG  23           2HG      ARG  23  -0.438   8.046  -1.273
  142    HD2  ARG  23           1HD      ARG  23  -1.144  10.284  -0.597
  143    HD3  ARG  23           2HD      ARG  23   0.044  10.290   0.723
  144    HE   ARG  23           HE       ARG  23   1.570   9.774  -1.549
  145   HH11  ARG  23          2HH1      ARG  23  -0.507  12.481  -0.685
  146   HH12  ARG  23          1HH1      ARG  23   0.442  13.581  -1.650
  147   HH21  ARG  23          2HH2      ARG  23   2.672  11.107  -2.616
  148   HH22  ARG  23          1HH2      ARG  23   2.253  12.819  -2.766
  149    H    LEU  24           H        LEU  24   0.085   5.306  -1.118
  150    HA   LEU  24           HA       LEU  24  -2.049   5.285  -3.135
  151    HB2  LEU  24           1HB      LEU  24   0.815   4.268  -3.221
  152    HB3  LEU  24           2HB      LEU  24  -0.278   4.352  -4.600
  153    HG   LEU  24           HG       LEU  24   0.707   6.763  -3.013
  154   HD11  LEU  24          1HD1      LEU  24   1.519   5.729  -5.759
  155   HD12  LEU  24          2HD1      LEU  24   2.509   5.660  -4.281
  156   HD13  LEU  24          3HD1      LEU  24   2.088   7.227  -4.985
  157   HD21  LEU  24          3HD2      LEU  24  -0.884   6.591  -5.607
  158   HD22  LEU  24          1HD2      LEU  24  -0.178   8.073  -4.924
  159   HD23  LEU  24          2HD2      LEU  24  -1.464   7.235  -4.052
  160    H    ILE  25           H        ILE  25  -0.199   2.761  -1.328
  161    HA   ILE  25           HA       ILE  25  -1.806   0.630  -2.458
  162    HB   ILE  25           HB       ILE  25   0.417   0.170  -1.616
  163   HG12  ILE  25          1HG1      ILE  25  -1.724  -1.355  -0.075
  164   HG13  ILE  25          2HG1      ILE  25  -1.366  -1.577  -1.790
  165   HG21  ILE  25          1HG2      ILE  25   0.938   0.049   0.775
  166   HG22  ILE  25          2HG2      ILE  25   0.454   1.673   0.335
  167   HG23  ILE  25          3HG2      ILE  25  -0.693   0.606   1.191
  168   HD11  ILE  25          3HD1      ILE  25  -0.316  -3.308  -0.470
  169   HD12  ILE  25          1HD1      ILE  25   0.937  -2.283  -1.213
  170   HD13  ILE  25          2HD1      ILE  25   0.541  -2.132   0.522
  171    H    LYS  26           H        LYS  26  -2.139   2.562   0.576
  172    HA   LYS  26           HA       LYS  26  -4.447   1.120   1.529
  173    HB2  LYS  26           1HB      LYS  26  -3.546   3.998   1.947
  174    HB3  LYS  26           2HB      LYS  26  -4.926   3.287   2.774
  175    HG2  LYS  26           1HG      LYS  26  -2.082   2.205   2.979
  176    HG3  LYS  26           2HG      LYS  26  -2.831   3.319   4.125
  177    HD2  LYS  26           1HD      LYS  26  -4.629   1.569   4.511
  178    HD3  LYS  26           2HD      LYS  26  -3.671   0.444   3.538
  179    HE2  LYS  26           1HE      LYS  26  -2.753   1.851   6.089
  180    HE3  LYS  26           2HE      LYS  26  -3.316   0.181   5.983
  181    HZ1  LYS  26           3HZ      LYS  26  -1.411  -0.247   4.465
  182    HZ2  LYS  26           1HZ      LYS  26  -0.927   0.223   5.952
  183    HZ3  LYS  26           2HZ      LYS  26  -0.849   1.278   4.722
  184    H    SER  27           H        SER  27  -4.251   3.954  -0.671
  185    HA   SER  27           HA       SER  27  -7.046   4.194  -1.154
  186    HB2  SER  27           1HB      SER  27  -5.357   5.839  -1.875
  187    HB3  SER  27           2HB      SER  27  -4.744   4.690  -3.081
  188    HG   SER  27           HG       SER  27  -6.278   6.207  -3.938
  189    H    HIS  28           H        HIS  28  -4.616   2.126  -2.874
  190    HA   HIS  28           HA       HIS  28  -6.454   0.892  -4.647
  191    HB2  HIS  28           1HB      HIS  28  -4.052   0.759  -4.949
  192    HB3  HIS  28           2HB      HIS  28  -3.855  -0.125  -3.442
  193    HD1  HIS  28           1HD      HIS  28  -5.658  -0.714  -6.839
  194    HD2  HIS  28           2HD      HIS  28  -3.816  -2.703  -3.624
  195    HE1  HIS  28           1HE      HIS  28  -5.633  -3.168  -7.475
  196    H    ILE  29           H        ILE  29  -5.439  -0.214  -1.379
  197    HA   ILE  29           HA       ILE  29  -7.058  -2.561  -1.313
  198    HB   ILE  29           HB       ILE  29  -5.993  -0.771   0.896
  199   HG12  ILE  29          1HG1      ILE  29  -5.162  -3.566  -0.038
  200   HG13  ILE  29          2HG1      ILE  29  -4.373  -2.081  -0.555
  201   HG21  ILE  29          1HG2      ILE  29  -7.982  -1.891   1.803
  202   HG22  ILE  29          2HG2      ILE  29  -7.413  -3.462   1.190
  203   HG23  ILE  29          3HG2      ILE  29  -6.546  -2.614   2.489
  204   HD11  ILE  29          3HD1      ILE  29  -3.037  -3.051   1.167
  205   HD12  ILE  29          1HD1      ILE  29  -3.773  -1.574   1.815
  206   HD13  ILE  29          2HD1      ILE  29  -4.405  -3.177   2.276
  207    H    LYS  30           H        LYS  30  -7.911   0.810  -0.365
  208    HA   LYS  30           HA       LYS  30 -10.591   0.027   0.482
  209    HB2  LYS  30           1HB      LYS  30  -9.375   2.751  -0.134
  210    HB3  LYS  30           2HB      LYS  30 -11.002   2.526   0.492
  211    HG2  LYS  30           1HG      LYS  30  -8.407   1.803   1.905
  212    HG3  LYS  30           2HG      LYS  30  -9.499   3.122   2.293
  213    HD2  LYS  30           1HD      LYS  30 -10.016   0.143   2.634
  214    HD3  LYS  30           2HD      LYS  30  -9.725   1.333   3.901
  215    HE2  LYS  30           1HE      LYS  30 -11.835   2.523   3.229
  216    HE3  LYS  30           2HE      LYS  30 -12.144   1.245   2.044
  217    HZ1  LYS  30           3HZ      LYS  30 -12.141  -0.357   3.919
  218    HZ2  LYS  30           1HZ      LYS  30 -13.322   0.766   4.089
  219    HZ3  LYS  30           2HZ      LYS  30 -11.961   0.867   4.984
  220    H    THR  31           H        THR  31  -9.355   1.061  -2.680
  221    HA   THR  31           HA       THR  31 -12.063   1.383  -3.754
  222    HB   THR  31           HB       THR  31 -10.797   1.754  -5.877
  223    HG1  THR  31           1HG      THR  31  -8.515   1.966  -4.286
  224   HG21  THR  31          3HG2      THR  31 -10.013   3.510  -3.519
  225   HG22  THR  31          1HG2      THR  31 -11.465   3.671  -4.527
  226   HG23  THR  31          2HG2      THR  31  -9.864   3.949  -5.236
  227    H    ASN  32           H        ASN  32  -9.487  -1.059  -3.972
  228    HA   ASN  32           HA       ASN  32 -11.125  -2.629  -5.920
  229    HB2  ASN  32           1HB      ASN  32  -8.153  -2.612  -5.259
  230    HB3  ASN  32           2HB      ASN  32  -8.919  -3.821  -6.267
  231   HD21  ASN  32          1HD2      ASN  32  -8.568  -0.193  -6.084
  232   HD22  ASN  32          2HD2      ASN  32  -8.550  -0.047  -7.832
  233    H    HIS  33           H        HIS  33  -9.894  -2.850  -2.616
  234    HA   HIS  33           HA       HIS  33 -10.977  -5.620  -2.410
  235    HB2  HIS  33           1HB      HIS  33  -8.367  -4.718  -1.164
  236    HB3  HIS  33           2HB      HIS  33  -9.029  -6.349  -1.234
  237    HD1  HIS  33           1HD      HIS  33  -9.414  -6.984  -4.174
  238    HD2  HIS  33           2HD      HIS  33  -6.403  -4.428  -2.759
  239    HE1  HIS  33           1HE      HIS  33  -7.641  -6.940  -5.994
  240    HA   PRO  34           HA       PRO  34 -11.995  -2.671   1.190
  241    HB2  PRO  34           1HB      PRO  34 -14.676  -2.267   0.930
  242    HB3  PRO  34           2HB      PRO  34 -13.424  -1.269   0.123
  243    HG2  PRO  34           1HG      PRO  34 -14.971  -3.619  -1.041
  244    HG3  PRO  34           2HG      PRO  34 -14.740  -1.989  -1.760
  245    HD2  PRO  34           1HD      PRO  34 -13.142  -4.063  -2.467
  246    HD3  PRO  34           2HD      PRO  34 -12.468  -2.419  -2.239
  247    H    GLU  35           H        GLU  35 -13.594  -5.607  -0.001
  248    HA   GLU  35           HA       GLU  35 -15.078  -6.234   2.355
  249    HB2  GLU  35           1HB      GLU  35 -15.447  -8.354   1.376
  250    HB3  GLU  35           2HB      GLU  35 -15.514  -7.160   0.099
  251    HG2  GLU  35           1HG      GLU  35 -13.179  -9.040   0.695
  252    HG3  GLU  35           2HG      GLU  35 -14.386  -9.266  -0.560
  253    H    VAL  36           H        VAL  36 -11.731  -6.324   1.931
  254    HA   VAL  36           HA       VAL  36 -11.305  -8.075   4.321
  255    HB   VAL  36           HB       VAL  36 -10.485  -9.028   2.258
  256   HG11  VAL  36          1HG1      VAL  36  -8.845  -6.490   1.950
  257   HG12  VAL  36          2HG1      VAL  36  -8.533  -7.999   1.057
  258   HG13  VAL  36          3HG1      VAL  36 -10.072  -7.161   0.855
  259   HG21  VAL  36          3HG2      VAL  36  -9.212  -9.430   4.372
  260   HG22  VAL  36          1HG2      VAL  36  -8.276  -9.631   2.879
  261   HG23  VAL  36          2HG2      VAL  36  -8.060  -8.171   3.858
  262    H    SER  37           H        SER  37 -11.310  -4.889   3.345
  263    HA   SER  37           HA       SER  37  -8.918  -3.910   4.636
  264    HB2  SER  37           1HB      SER  37  -9.618  -1.739   4.061
  265    HB3  SER  37           2HB      SER  37 -10.007  -2.804   2.701
  266    HG   SER  37           HG       SER  37 -12.197  -2.913   3.654
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  13.615  -2.441  -4.726
    2    H2   GLY   1           2H       GLY   1  14.504  -1.575  -5.797
    3    H3   GLY   1           3H       GLY   1  14.805  -1.443  -4.192
    4    HA2  GLY   1           1HA      GLY   1  16.488  -2.797  -5.273
    5    HA3  GLY   1           2HA      GLY   1  15.555  -3.732  -4.085
    6    H    SER   2           H        SER   2  16.985  -4.840  -6.252
    7    HA   SER   2           HA       SER   2  16.939  -6.328  -7.910
    8    HB2  SER   2           1HB      SER   2  14.186  -6.995  -6.853
    9    HB3  SER   2           2HB      SER   2  15.178  -8.011  -7.914
   10    HG   SER   2           HG       SER   2  15.426  -8.563  -5.693
   11    H    SER   3           H        SER   3  13.497  -5.321  -8.224
   12    HA   SER   3           HA       SER   3  13.690  -5.363 -11.150
   13    HB2  SER   3           1HB      SER   3  11.397  -4.537  -9.335
   14    HB3  SER   3           2HB      SER   3  11.304  -4.836 -11.081
   15    HG   SER   3           HG       SER   3  10.647  -6.666  -9.858
   16    H    GLY   4           H        GLY   4  14.270  -2.972  -8.777
   17    HA2  GLY   4           1HA      GLY   4  14.894  -0.944 -10.722
   18    HA3  GLY   4           2HA      GLY   4  13.418  -0.534  -9.839
   19    H    SER   5           H        SER   5  15.602   1.114  -9.664
   20    HA   SER   5           HA       SER   5  17.386   0.449  -7.488
   21    HB2  SER   5           1HB      SER   5  18.287   2.723  -7.906
   22    HB3  SER   5           2HB      SER   5  18.175   1.723  -9.365
   23    HG   SER   5           HG       SER   5  17.378   3.862  -9.700
   24    H    SER   6           H        SER   6  14.223   1.682  -7.365
   25    HA   SER   6           HA       SER   6  14.325   3.639  -5.364
   26    HB2  SER   6           1HB      SER   6  12.126   1.587  -5.824
   27    HB3  SER   6           2HB      SER   6  11.961   3.143  -4.985
   28    HG   SER   6           HG       SER   6  11.294   3.269  -7.184
   29    H    GLY   7           H        GLY   7  14.500   3.686  -3.197
   30    HA2  GLY   7           1HA      GLY   7  15.235   1.263  -1.716
   31    HA3  GLY   7           2HA      GLY   7  15.283   2.929  -1.146
   32    H    ARG   8           H        ARG   8  12.242   2.720  -2.284
   33    HA   ARG   8           HA       ARG   8  10.977   1.554   0.161
   34    HB2  ARG   8           1HB      ARG   8  11.404   3.950   0.555
   35    HB3  ARG   8           2HB      ARG   8  10.564   4.365  -0.944
   36    HG2  ARG   8           1HG      ARG   8   8.450   3.448  -0.006
   37    HG3  ARG   8           2HG      ARG   8   9.299   3.039   1.502
   38    HD2  ARG   8           1HD      ARG   8   9.843   5.424   1.850
   39    HD3  ARG   8           2HD      ARG   8   9.088   5.829   0.298
   40    HE   ARG   8           HE       ARG   8   7.414   4.498   2.374
   41   HH11  ARG   8          2HH1      ARG   8   8.102   7.521   0.714
   42   HH12  ARG   8          1HH1      ARG   8   6.499   8.148   1.042
   43   HH21  ARG   8          2HH2      ARG   8   5.564   5.455   2.963
   44   HH22  ARG   8          1HH2      ARG   8   5.202   7.098   2.452
   45    H    SER   9           H        SER   9   9.509   0.158  -0.447
   46    HA   SER   9           HA       SER   9   7.661   0.673  -2.714
   47    HB2  SER   9           1HB      SER   9   9.256  -1.902  -2.391
   48    HB3  SER   9           2HB      SER   9   7.965  -1.614  -3.570
   49    HG   SER   9           HG       SER   9  10.038  -1.312  -4.489
   50    H    TYR  10           H        TYR  10   5.700  -0.374  -2.579
   51    HA   TYR  10           HA       TYR  10   5.088  -2.126  -0.237
   52    HB2  TYR  10           1HB      TYR  10   3.321   0.090  -1.347
   53    HB3  TYR  10           2HB      TYR  10   2.925  -1.008  -0.036
   54    HD1  TYR  10           2HD      TYR  10   5.197   1.785  -1.040
   55    HD2  TYR  10           1HD      TYR  10   3.537  -0.484   2.232
   56    HE1  TYR  10           2HE      TYR  10   6.171   3.398   0.576
   57    HE2  TYR  10           1HE      TYR  10   4.456   1.175   3.844
   58    HH   TYR  10           HH       TYR  10   5.695   3.088   4.111
   59    H    SER  11           H        SER  11   3.515  -3.768  -0.697
   60    HA   SER  11           HA       SER  11   2.621  -4.035  -3.534
   61    HB2  SER  11           1HB      SER  11   3.984  -6.211  -1.921
   62    HB3  SER  11           2HB      SER  11   3.219  -6.417  -3.508
   63    HG   SER  11           HG       SER  11   5.500  -6.084  -3.649
   64    H    CYS  12           H        CYS  12   0.609  -4.726  -3.814
   65    HA   CYS  12           HA       CYS  12  -1.284  -4.723  -1.806
   66    HB2  CYS  12           1HB      CYS  12  -1.709  -4.312  -4.153
   67    HB3  CYS  12           2HB      CYS  12  -1.373  -6.011  -4.539
   68    HA   PRO  13           HA       PRO  13  -0.944  -8.900  -0.092
   69    HB2  PRO  13           1HB      PRO  13  -3.073  -8.884   1.621
   70    HB3  PRO  13           2HB      PRO  13  -1.580  -7.944   1.915
   71    HG2  PRO  13           1HG      PRO  13  -4.182  -6.967   0.697
   72    HG3  PRO  13           2HG      PRO  13  -3.228  -6.216   2.015
   73    HD2  PRO  13           1HD      PRO  13  -3.011  -5.415  -0.585
   74    HD3  PRO  13           2HD      PRO  13  -1.598  -5.426   0.511
   75    H    VAL  14           H        VAL  14  -3.459  -7.768  -2.160
   76    HA   VAL  14           HA       VAL  14  -4.753 -10.474  -2.300
   77    HB   VAL  14           HB       VAL  14  -5.854  -7.839  -3.285
   78   HG11  VAL  14          1HG1      VAL  14  -8.016  -9.070  -3.318
   79   HG12  VAL  14          2HG1      VAL  14  -6.850  -9.764  -4.442
   80   HG13  VAL  14          3HG1      VAL  14  -7.159 -10.564  -2.884
   81   HG21  VAL  14          3HG2      VAL  14  -6.451  -9.337  -0.702
   82   HG22  VAL  14          1HG2      VAL  14  -5.735  -7.714  -0.856
   83   HG23  VAL  14          2HG2      VAL  14  -7.404  -7.981  -1.347
   84    H    CYS  15           H        CYS  15  -3.327  -7.918  -4.378
   85    HA   CYS  15           HA       CYS  15  -3.291  -9.887  -6.613
   86    HB2  CYS  15           1HB      CYS  15  -3.837  -8.232  -8.181
   87    HB3  CYS  15           2HB      CYS  15  -5.119  -8.385  -6.987
   88    H    GLU  16           H        GLU  16  -1.246  -8.576  -4.650
   89    HA   GLU  16           HA       GLU  16   0.975  -8.163  -4.552
   90    HB2  GLU  16           1HB      GLU  16   1.107  -9.843  -7.071
   91    HB3  GLU  16           2HB      GLU  16   2.451  -9.466  -5.989
   92    HG2  GLU  16           1HG      GLU  16   1.249 -10.587  -4.113
   93    HG3  GLU  16           2HG      GLU  16  -0.034 -11.056  -5.231
   94    H    LYS  17           H        LYS  17  -0.713  -6.411  -6.457
   95    HA   LYS  17           HA       LYS  17   0.988  -5.128  -8.334
   96    HB2  LYS  17           1HB      LYS  17  -1.537  -5.233  -8.074
   97    HB3  LYS  17           2HB      LYS  17  -1.411  -3.986  -6.840
   98    HG2  LYS  17           1HG      LYS  17  -0.479  -2.424  -8.482
   99    HG3  LYS  17           2HG      LYS  17  -0.488  -3.670  -9.741
  100    HD2  LYS  17           1HD      LYS  17  -3.044  -2.872  -8.279
  101    HD3  LYS  17           2HD      LYS  17  -2.425  -1.923  -9.616
  102    HE2  LYS  17           1HE      LYS  17  -4.139  -3.371 -10.437
  103    HE3  LYS  17           2HE      LYS  17  -2.595  -3.810 -11.157
  104    HZ1  LYS  17           3HZ      LYS  17  -2.505  -5.744  -9.756
  105    HZ2  LYS  17           1HZ      LYS  17  -3.982  -5.728 -10.432
  106    HZ3  LYS  17           2HZ      LYS  17  -3.793  -5.310  -8.862
  107    H    SER  18           H        SER  18   2.381  -3.403  -8.194
  108    HA   SER  18           HA       SER  18   3.298  -2.770  -5.478
  109    HB2  SER  18           1HB      SER  18   5.383  -2.056  -6.589
  110    HB3  SER  18           2HB      SER  18   4.930  -3.744  -6.872
  111    HG   SER  18           HG       SER  18   5.598  -2.690  -8.806
  112    H    PHE  19           H        PHE  19   3.767  -0.818  -4.653
  113    HA   PHE  19           HA       PHE  19   2.901   1.683  -6.018
  114    HB2  PHE  19           1HB      PHE  19   1.986   0.742  -3.272
  115    HB3  PHE  19           2HB      PHE  19   1.641   2.313  -3.979
  116    HD1  PHE  19           2HD      PHE  19   0.170   2.496  -6.020
  117    HD2  PHE  19           1HD      PHE  19   0.684  -1.218  -3.883
  118    HE1  PHE  19           2HE      PHE  19  -1.788   1.536  -7.208
  119    HE2  PHE  19           1HE      PHE  19  -1.274  -2.168  -5.071
  120    HZ   PHE  19           HZ       PHE  19  -2.490  -0.805  -6.761
  121    H    SER  20           H        SER  20   3.785   3.600  -5.148
  122    HA   SER  20           HA       SER  20   6.446   3.250  -4.017
  123    HB2  SER  20           1HB      SER  20   4.999   5.797  -4.816
  124    HB3  SER  20           2HB      SER  20   6.739   5.602  -4.534
  125    HG   SER  20           HG       SER  20   6.207   5.499  -6.771
  126    H    GLU  21           H        GLU  21   3.374   4.201  -2.629
  127    HA   GLU  21           HA       GLU  21   4.693   4.901  -0.065
  128    HB2  GLU  21           1HB      GLU  21   2.606   6.678  -1.373
  129    HB3  GLU  21           2HB      GLU  21   3.253   6.832   0.258
  130    HG2  GLU  21           1HG      GLU  21   5.587   6.976  -0.967
  131    HG3  GLU  21           2HG      GLU  21   4.611   7.417  -2.370
  132    H    ASP  22           H        ASP  22   3.396   4.737   1.781
  133    HA   ASP  22           HA       ASP  22   1.560   2.639   1.985
  134    HB2  ASP  22           1HB      ASP  22   2.879   3.578   3.828
  135    HB3  ASP  22           2HB      ASP  22   1.949   5.074   3.760
  136    H    ARG  23           H        ARG  23   0.873   6.140   1.611
  137    HA   ARG  23           HA       ARG  23  -1.986   5.926   1.773
  138    HB2  ARG  23           1HB      ARG  23  -2.052   8.170   0.847
  139    HB3  ARG  23           2HB      ARG  23  -0.824   8.042   2.105
  140    HG2  ARG  23           1HG      ARG  23   0.956   7.919   0.375
  141    HG3  ARG  23           2HG      ARG  23  -0.273   8.024  -0.902
  142    HD2  ARG  23           1HD      ARG  23  -0.961  10.230  -0.109
  143    HD3  ARG  23           2HD      ARG  23   0.204  10.147   1.225
  144    HE   ARG  23           HE       ARG  23   1.970   9.886  -0.687
  145   HH11  ARG  23          2HH1      ARG  23  -0.798  12.042  -1.006
  146   HH12  ARG  23          1HH1      ARG  23   0.066  13.054  -2.133
  147   HH21  ARG  23          2HH2      ARG  23   2.928  11.105  -1.997
  148   HH22  ARG  23          1HH2      ARG  23   2.184  12.544  -2.708
  149    H    LEU  24           H        LEU  24   0.162   5.272  -0.919
  150    HA   LEU  24           HA       LEU  24  -1.978   5.402  -2.935
  151    HB2  LEU  24           1HB      LEU  24   0.888   4.392  -3.093
  152    HB3  LEU  24           2HB      LEU  24  -0.212   4.536  -4.459
  153    HG   LEU  24           HG       LEU  24   0.769   6.872  -2.761
  154   HD11  LEU  24          1HD1      LEU  24   2.564   5.854  -4.099
  155   HD12  LEU  24          2HD1      LEU  24   2.124   7.446  -4.728
  156   HD13  LEU  24          3HD1      LEU  24   1.560   5.979  -5.561
  157   HD21  LEU  24          3HD2      LEU  24  -0.847   6.823  -5.343
  158   HD22  LEU  24          1HD2      LEU  24  -0.139   8.273  -4.598
  159   HD23  LEU  24          2HD2      LEU  24  -1.412   7.390  -3.754
  160    H    ILE  25           H        ILE  25  -0.127   2.783  -1.282
  161    HA   ILE  25           HA       ILE  25  -1.712   0.699  -2.504
  162    HB   ILE  25           HB       ILE  25   0.468   0.193  -1.616
  163   HG12  ILE  25          1HG1      ILE  25  -1.702  -1.316  -0.108
  164   HG13  ILE  25          2HG1      ILE  25  -1.334  -1.539  -1.822
  165   HG21  ILE  25          1HG2      ILE  25   0.961   0.059   0.773
  166   HG22  ILE  25          2HG2      ILE  25   0.471   1.685   0.351
  167   HG23  ILE  25          3HG2      ILE  25  -0.676   0.598   1.180
  168   HD11  ILE  25          3HD1      ILE  25  -0.304  -3.281  -0.479
  169   HD12  ILE  25          1HD1      ILE  25   0.952  -2.271  -1.235
  170   HD13  ILE  25          2HD1      ILE  25   0.564  -2.105   0.498
  171    H    LYS  26           H        LYS  26  -2.131   2.477   0.639
  172    HA   LYS  26           HA       LYS  26  -4.497   1.006   1.364
  173    HB2  LYS  26           1HB      LYS  26  -3.516   3.792   2.089
  174    HB3  LYS  26           2HB      LYS  26  -5.006   3.131   2.739
  175    HG2  LYS  26           1HG      LYS  26  -2.279   1.795   3.042
  176    HG3  LYS  26           2HG      LYS  26  -2.992   2.874   4.234
  177    HD2  LYS  26           1HD      LYS  26  -4.188   0.200   3.358
  178    HD3  LYS  26           2HD      LYS  26  -3.233   0.486   4.811
  179    HE2  LYS  26           1HE      LYS  26  -4.914   2.119   5.621
  180    HE3  LYS  26           2HE      LYS  26  -5.903   1.821   4.185
  181    HZ1  LYS  26           3HZ      LYS  26  -6.613   0.502   6.128
  182    HZ2  LYS  26           1HZ      LYS  26  -5.181  -0.279   6.158
  183    HZ3  LYS  26           2HZ      LYS  26  -6.199  -0.463   4.883
  184    H    SER  27           H        SER  27  -4.188   3.969  -0.638
  185    HA   SER  27           HA       SER  27  -6.985   4.277  -1.141
  186    HB2  SER  27           1HB      SER  27  -4.630   4.911  -2.964
  187    HB3  SER  27           2HB      SER  27  -6.303   5.431  -3.220
  188    HG   SER  27           HG       SER  27  -4.522   6.145  -1.132
  189    H    HIS  28           H        HIS  28  -4.556   2.219  -2.845
  190    HA   HIS  28           HA       HIS  28  -6.381   1.165  -4.776
  191    HB2  HIS  28           1HB      HIS  28  -4.038   0.912  -5.140
  192    HB3  HIS  28           2HB      HIS  28  -3.786   0.121  -3.592
  193    HD1  HIS  28           1HD      HIS  28  -5.681  -0.686  -6.886
  194    HD2  HIS  28           2HD      HIS  28  -3.839  -2.474  -3.557
  195    HE1  HIS  28           1HE      HIS  28  -5.761  -3.183  -7.314
  196    H    ILE  29           H        ILE  29  -5.386  -0.250  -1.610
  197    HA   ILE  29           HA       ILE  29  -7.090  -2.525  -1.834
  198    HB   ILE  29           HB       ILE  29  -6.083  -1.160   0.690
  199   HG12  ILE  29          1HG1      ILE  29  -4.941  -3.584  -0.806
  200   HG13  ILE  29          2HG1      ILE  29  -4.269  -1.972  -0.924
  201   HG21  ILE  29          1HG2      ILE  29  -8.019  -2.790   1.051
  202   HG22  ILE  29          2HG2      ILE  29  -7.013  -4.046   0.311
  203   HG23  ILE  29          3HG2      ILE  29  -6.527  -3.270   1.831
  204   HD11  ILE  29          3HD1      ILE  29  -3.843  -1.971   1.543
  205   HD12  ILE  29          1HD1      ILE  29  -4.345  -3.681   1.583
  206   HD13  ILE  29          2HD1      ILE  29  -2.941  -3.196   0.633
  207    H    LYS  30           H        LYS  30  -7.782   0.728  -0.488
  208    HA   LYS  30           HA       LYS  30 -10.427   0.113   0.485
  209    HB2  LYS  30           1HB      LYS  30  -9.056   2.703  -0.336
  210    HB3  LYS  30           2HB      LYS  30 -10.720   2.654   0.260
  211    HG2  LYS  30           1HG      LYS  30 -10.044   1.714   2.386
  212    HG3  LYS  30           2HG      LYS  30  -8.385   1.497   1.834
  213    HD2  LYS  30           1HD      LYS  30  -8.482   3.423   3.276
  214    HD3  LYS  30           2HD      LYS  30  -8.124   3.962   1.627
  215    HE2  LYS  30           1HE      LYS  30 -10.505   4.598   1.313
  216    HE3  LYS  30           2HE      LYS  30 -10.887   4.000   2.933
  217    HZ1  LYS  30           3HZ      LYS  30  -9.404   5.710   3.842
  218    HZ2  LYS  30           1HZ      LYS  30 -10.560   6.406   2.928
  219    HZ3  LYS  30           2HZ      LYS  30  -9.044   6.261   2.343
  220    H    THR  31           H        THR  31  -9.354   1.090  -2.780
  221    HA   THR  31           HA       THR  31 -12.124   1.388  -3.709
  222    HB   THR  31           HB       THR  31 -10.959   1.940  -5.852
  223    HG1  THR  31           1HG      THR  31  -8.622   2.212  -4.350
  224   HG21  THR  31          3HG2      THR  31 -11.671   3.732  -4.347
  225   HG22  THR  31          1HG2      THR  31 -10.128   4.142  -5.113
  226   HG23  THR  31          2HG2      THR  31 -10.163   3.593  -3.422
  227    H    ASN  32           H        ASN  32  -9.531  -1.006  -4.010
  228    HA   ASN  32           HA       ASN  32 -11.080  -2.486  -6.090
  229    HB2  ASN  32           1HB      ASN  32  -8.161  -2.576  -5.227
  230    HB3  ASN  32           2HB      ASN  32  -8.885  -3.701  -6.359
  231   HD21  ASN  32          1HD2      ASN  32  -8.420  -0.128  -5.924
  232   HD22  ASN  32          2HD2      ASN  32  -8.328   0.152  -7.651
  233    H    HIS  33           H        HIS  33 -10.092  -2.842  -2.721
  234    HA   HIS  33           HA       HIS  33 -11.164  -5.631  -2.687
  235    HB2  HIS  33           1HB      HIS  33  -8.659  -4.711  -1.256
  236    HB3  HIS  33           2HB      HIS  33  -9.291  -6.349  -1.377
  237    HD1  HIS  33           1HD      HIS  33  -9.552  -6.736  -4.476
  238    HD2  HIS  33           2HD      HIS  33  -6.472  -4.611  -2.578
  239    HE1  HIS  33           1HE      HIS  33  -7.620  -6.715  -6.120
  240    HA   PRO  34           HA       PRO  34 -13.107  -2.537   0.247
  241    HB2  PRO  34           1HB      PRO  34 -15.435  -4.391  -0.278
  242    HB3  PRO  34           2HB      PRO  34 -15.451  -2.609  -0.044
  243    HG2  PRO  34           1HG      PRO  34 -15.582  -3.604  -2.541
  244    HG3  PRO  34           2HG      PRO  34 -14.428  -2.267  -2.206
  245    HD2  PRO  34           1HD      PRO  34 -13.862  -5.243  -2.362
  246    HD3  PRO  34           2HD      PRO  34 -12.988  -3.882  -3.108
  247    H    GLU  35           H        GLU  35 -13.266  -6.085   0.523
  248    HA   GLU  35           HA       GLU  35 -14.072  -6.044   3.329
  249    HB2  GLU  35           1HB      GLU  35 -13.890  -8.434   3.240
  250    HB3  GLU  35           2HB      GLU  35 -14.743  -7.841   1.818
  251    HG2  GLU  35           1HG      GLU  35 -12.626  -8.082   0.483
  252    HG3  GLU  35           2HG      GLU  35 -11.829  -8.741   1.913
  253    H    VAL  36           H        VAL  36 -11.177  -5.238   1.948
  254    HA   VAL  36           HA       VAL  36  -9.464  -6.407   4.091
  255    HB   VAL  36           HB       VAL  36  -8.619  -5.317   1.394
  256   HG11  VAL  36          1HG1      VAL  36  -6.620  -6.736   1.748
  257   HG12  VAL  36          2HG1      VAL  36  -6.767  -5.517   3.012
  258   HG13  VAL  36          3HG1      VAL  36  -7.232  -7.199   3.352
  259   HG21  VAL  36          3HG2      VAL  36  -9.352  -8.168   2.162
  260   HG22  VAL  36          1HG2      VAL  36 -10.112  -7.158   0.905
  261   HG23  VAL  36          2HG2      VAL  36  -8.459  -7.723   0.695
  262    H    SER  37           H        SER  37 -10.561  -3.351   2.803
  263    HA   SER  37           HA       SER  37  -9.520  -1.966   5.166
  264    HB2  SER  37           1HB      SER  37  -8.690  -1.100   2.373
  265    HB3  SER  37           2HB      SER  37  -8.709  -0.008   3.768
  266    HG   SER  37           HG       SER  37  -7.483  -2.514   4.068
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  17.217  -3.689  -5.959
    2    H2   GLY   1           2H       GLY   1  17.796  -2.403  -6.790
    3    H3   GLY   1           3H       GLY   1  16.192  -2.519  -6.480
    4    HA2  GLY   1           1HA      GLY   1  17.200  -0.896  -5.015
    5    HA3  GLY   1           2HA      GLY   1  16.547  -2.280  -4.120
    6    H    SER   2           H        SER   2  18.784  -0.354  -3.502
    7    HA   SER   2           HA       SER   2  21.299  -1.661  -3.817
    8    HB2  SER   2           1HB      SER   2  20.506   0.474  -1.805
    9    HB3  SER   2           2HB      SER   2  22.150   0.072  -2.335
   10    HG   SER   2           HG       SER   2  21.299   1.881  -3.469
   11    H    SER   3           H        SER   3  18.867  -2.101  -1.333
   12    HA   SER   3           HA       SER   3  20.474  -4.219  -0.079
   13    HB2  SER   3           1HB      SER   3  20.092  -3.366   2.209
   14    HB3  SER   3           2HB      SER   3  21.143  -2.313   1.254
   15    HG   SER   3           HG       SER   3  19.588  -1.103   2.395
   16    H    GLY   4           H        GLY   4  19.267  -5.686   1.196
   17    HA2  GLY   4           1HA      GLY   4  16.502  -6.092   0.349
   18    HA3  GLY   4           2HA      GLY   4  17.447  -7.124   1.417
   19    H    SER   5           H        SER   5  14.737  -6.478   1.807
   20    HA   SER   5           HA       SER   5  13.202  -5.743   3.310
   21    HB2  SER   5           1HB      SER   5  15.487  -6.194   5.251
   22    HB3  SER   5           2HB      SER   5  13.758  -6.167   5.647
   23    HG   SER   5           HG       SER   5  14.553  -8.305   5.331
   24    H    SER   6           H        SER   6  14.324  -3.536   2.030
   25    HA   SER   6           HA       SER   6  13.970  -1.366   4.026
   26    HB2  SER   6           1HB      SER   6  16.431  -1.988   3.782
   27    HB3  SER   6           2HB      SER   6  16.325  -1.417   2.106
   28    HG   SER   6           HG       SER   6  17.037   0.209   3.599
   29    H    GLY   7           H        GLY   7  14.095   0.812   2.815
   30    HA2  GLY   7           1HA      GLY   7  13.482   2.220   1.044
   31    HA3  GLY   7           2HA      GLY   7  13.002   0.838   0.074
   32    H    ARG   8           H        ARG   8  11.409   2.701  -0.275
   33    HA   ARG   8           HA       ARG   8   9.173   2.836   1.688
   34    HB2  ARG   8           1HB      ARG   8  10.480   4.854   1.089
   35    HB3  ARG   8           2HB      ARG   8  10.002   4.660  -0.594
   36    HG2  ARG   8           1HG      ARG   8   8.830   6.468   0.503
   37    HG3  ARG   8           2HG      ARG   8   7.711   5.247  -0.061
   38    HD2  ARG   8           1HD      ARG   8   7.466   4.376   2.231
   39    HD3  ARG   8           2HD      ARG   8   8.639   5.570   2.819
   40    HE   ARG   8           HE       ARG   8   6.935   7.257   1.696
   41   HH11  ARG   8          1HH1      ARG   8   5.952   4.484   3.704
   42   HH12  ARG   8          2HH1      ARG   8   4.425   5.306   4.038
   43   HH21  ARG   8          1HH2      ARG   8   4.895   8.017   2.137
   44   HH22  ARG   8          2HH2      ARG   8   3.884   7.075   3.257
   45    H    SER   9           H        SER   9   9.714   0.926  -0.886
   46    HA   SER   9           HA       SER   9   7.147   1.222  -2.269
   47    HB2  SER   9           1HB      SER   9   9.220  -0.985  -2.466
   48    HB3  SER   9           2HB      SER   9   7.827  -0.745  -3.540
   49    HG   SER   9           HG       SER   9   9.770   0.161  -4.395
   50    H    TYR  10           H        TYR  10   5.402  -0.139  -2.225
   51    HA   TYR  10           HA       TYR  10   5.230  -2.320  -0.190
   52    HB2  TYR  10           1HB      TYR  10   3.106  -0.196  -0.671
   53    HB3  TYR  10           2HB      TYR  10   3.018  -1.530   0.469
   54    HD1  TYR  10           1HD      TYR  10   4.368  -1.501   2.574
   55    HD2  TYR  10           2HD      TYR  10   4.396   1.815  -0.184
   56    HE1  TYR  10           1HE      TYR  10   5.450  -0.069   4.303
   57    HE2  TYR  10           2HE      TYR  10   5.512   3.230   1.535
   58    HH   TYR  10           HH       TYR  10   6.349   1.990   4.782
   59    H    SER  11           H        SER  11   3.600  -3.958  -0.722
   60    HA   SER  11           HA       SER  11   2.559  -3.873  -3.520
   61    HB2  SER  11           1HB      SER  11   4.058  -6.201  -2.282
   62    HB3  SER  11           2HB      SER  11   3.213  -6.223  -3.843
   63    HG   SER  11           HG       SER  11   5.483  -5.797  -4.034
   64    H    CYS  12           H        CYS  12   0.654  -4.806  -3.921
   65    HA   CYS  12           HA       CYS  12  -1.257  -4.835  -1.947
   66    HB2  CYS  12           1HB      CYS  12  -1.673  -4.436  -4.287
   67    HB3  CYS  12           2HB      CYS  12  -1.296  -6.123  -4.679
   68    HA   PRO  13           HA       PRO  13  -0.818  -8.994  -0.212
   69    HB2  PRO  13           1HB      PRO  13  -2.815  -8.927   1.646
   70    HB3  PRO  13           2HB      PRO  13  -1.299  -7.992   1.819
   71    HG2  PRO  13           1HG      PRO  13  -3.976  -7.016   0.779
   72    HG3  PRO  13           2HG      PRO  13  -2.921  -6.251   2.006
   73    HD2  PRO  13           1HD      PRO  13  -2.901  -5.508  -0.629
   74    HD3  PRO  13           2HD      PRO  13  -1.418  -5.481   0.373
   75    H    VAL  14           H        VAL  14  -3.395  -7.847  -2.161
   76    HA   VAL  14           HA       VAL  14  -4.763 -10.522  -2.196
   77    HB   VAL  14           HB       VAL  14  -5.870  -7.821  -3.007
   78   HG11  VAL  14          1HG1      VAL  14  -7.210 -10.548  -2.741
   79   HG12  VAL  14          2HG1      VAL  14  -8.062  -9.010  -3.001
   80   HG13  VAL  14          3HG1      VAL  14  -6.976  -9.626  -4.245
   81   HG21  VAL  14          3HG2      VAL  14  -7.321  -8.072  -0.991
   82   HG22  VAL  14          1HG2      VAL  14  -6.377  -9.501  -0.514
   83   HG23  VAL  14          2HG2      VAL  14  -5.620  -7.892  -0.577
   84    H    CYS  15           H        CYS  15  -3.348  -8.011  -4.323
   85    HA   CYS  15           HA       CYS  15  -3.394  -9.972  -6.546
   86    HB2  CYS  15           1HB      CYS  15  -4.386  -8.554  -8.048
   87    HB3  CYS  15           2HB      CYS  15  -5.449  -8.629  -6.646
   88    H    GLU  16           H        GLU  16  -1.341  -8.759  -4.867
   89    HA   GLU  16           HA       GLU  16   0.872  -8.373  -4.888
   90    HB2  GLU  16           1HB      GLU  16   0.681  -9.774  -7.567
   91    HB3  GLU  16           2HB      GLU  16   2.144  -9.591  -6.599
   92    HG2  GLU  16           1HG      GLU  16   1.052 -10.828  -4.724
   93    HG3  GLU  16           2HG      GLU  16  -0.356 -11.112  -5.752
   94    H    LYS  17           H        LYS  17  -0.721  -6.425  -7.112
   95    HA   LYS  17           HA       LYS  17   1.456  -5.175  -8.478
   96    HB2  LYS  17           1HB      LYS  17  -1.338  -4.299  -7.716
   97    HB3  LYS  17           2HB      LYS  17  -0.228  -3.149  -8.466
   98    HG2  LYS  17           1HG      LYS  17   0.053  -4.448 -10.427
   99    HG3  LYS  17           2HG      LYS  17  -0.710  -5.871  -9.731
  100    HD2  LYS  17           1HD      LYS  17  -2.167  -3.233 -10.228
  101    HD3  LYS  17           2HD      LYS  17  -2.132  -4.569 -11.392
  102    HE2  LYS  17           1HE      LYS  17  -3.274  -4.636  -8.574
  103    HE3  LYS  17           2HE      LYS  17  -4.210  -4.539 -10.064
  104    HZ1  LYS  17           3HZ      LYS  17  -2.457  -6.837  -9.354
  105    HZ2  LYS  17           1HZ      LYS  17  -3.506  -6.765 -10.628
  106    HZ3  LYS  17           2HZ      LYS  17  -4.032  -6.767  -9.055
  107    H    SER  18           H        SER  18   2.715  -3.402  -8.129
  108    HA   SER  18           HA       SER  18   3.216  -2.785  -5.285
  109    HB2  SER  18           1HB      SER  18   5.459  -2.129  -6.027
  110    HB3  SER  18           2HB      SER  18   5.046  -3.808  -6.406
  111    HG   SER  18           HG       SER  18   6.042  -2.743  -8.185
  112    H    PHE  19           H        PHE  19   3.707  -0.794  -4.511
  113    HA   PHE  19           HA       PHE  19   2.860   1.641  -6.000
  114    HB2  PHE  19           1HB      PHE  19   1.871   0.735  -3.268
  115    HB3  PHE  19           2HB      PHE  19   1.507   2.281  -4.020
  116    HD1  PHE  19           2HD      PHE  19   0.105   2.388  -6.106
  117    HD2  PHE  19           1HD      PHE  19   0.680  -1.296  -3.932
  118    HE1  PHE  19           2HE      PHE  19  -1.726   1.327  -7.411
  119    HE2  PHE  19           1HE      PHE  19  -1.154  -2.345  -5.240
  120    HZ   PHE  19           HZ       PHE  19  -2.324  -1.048  -7.002
  121    H    SER  20           H        SER  20   3.773   3.582  -5.239
  122    HA   SER  20           HA       SER  20   6.411   3.153  -4.078
  123    HB2  SER  20           1HB      SER  20   6.827   5.459  -4.901
  124    HB3  SER  20           2HB      SER  20   6.260   4.329  -6.141
  125    HG   SER  20           HG       SER  20   5.170   6.355  -6.237
  126    H    GLU  21           H        GLU  21   3.500   4.193  -2.643
  127    HA   GLU  21           HA       GLU  21   4.911   4.885  -0.180
  128    HB2  GLU  21           1HB      GLU  21   3.109   6.922  -1.568
  129    HB3  GLU  21           2HB      GLU  21   3.424   6.931   0.161
  130    HG2  GLU  21           1HG      GLU  21   5.952   6.945  -0.479
  131    HG3  GLU  21           2HG      GLU  21   5.394   7.422  -2.092
  132    H    ASP  22           H        ASP  22   3.455   4.927   1.720
  133    HA   ASP  22           HA       ASP  22   1.780   2.665   1.600
  134    HB2  ASP  22           1HB      ASP  22   1.442   2.890   3.912
  135    HB3  ASP  22           2HB      ASP  22   3.096   3.372   3.575
  136    H    ARG  23           H        ARG  23   0.836   6.109   1.562
  137    HA   ARG  23           HA       ARG  23  -1.992   5.594   1.860
  138    HB2  ARG  23           1HB      ARG  23  -2.364   7.864   1.202
  139    HB3  ARG  23           2HB      ARG  23  -0.990   7.791   2.304
  140    HG2  ARG  23           1HG      ARG  23   0.553   7.942   0.330
  141    HG3  ARG  23           2HG      ARG  23  -0.851   8.105  -0.734
  142    HD2  ARG  23           1HD      ARG  23  -1.532  10.169   0.369
  143    HD3  ARG  23           2HD      ARG  23  -0.250  10.015   1.570
  144    HE   ARG  23           HE       ARG  23   0.000  10.965  -1.186
  145   HH11  ARG  23          2HH1      ARG  23   1.838   9.733   1.529
  146   HH12  ARG  23          1HH1      ARG  23   3.375   9.972   0.725
  147   HH21  ARG  23          2HH2      ARG  23   2.010  11.348  -2.110
  148   HH22  ARG  23          1HH2      ARG  23   3.448  10.782  -1.284
  149    H    LEU  24           H        LEU  24   0.105   5.222  -0.883
  150    HA   LEU  24           HA       LEU  24  -2.051   5.324  -2.870
  151    HB2  LEU  24           1HB      LEU  24   0.804   4.316  -3.126
  152    HB3  LEU  24           2HB      LEU  24  -0.315   4.624  -4.449
  153    HG   LEU  24           HG       LEU  24   0.826   6.727  -2.550
  154   HD11  LEU  24          1HD1      LEU  24   1.374   6.172  -5.492
  155   HD12  LEU  24          2HD1      LEU  24   2.467   5.813  -4.139
  156   HD13  LEU  24          3HD1      LEU  24   2.065   7.490  -4.522
  157   HD21  LEU  24          3HD2      LEU  24  -0.972   7.051  -4.993
  158   HD22  LEU  24          1HD2      LEU  24  -0.154   8.374  -4.133
  159   HD23  LEU  24          2HD2      LEU  24  -1.400   7.435  -3.309
  160    H    ILE  25           H        ILE  25  -0.178   2.687  -1.267
  161    HA   ILE  25           HA       ILE  25  -1.789   0.617  -2.505
  162    HB   ILE  25           HB       ILE  25   0.410   0.086  -1.667
  163   HG12  ILE  25          1HG1      ILE  25  -1.749  -1.453  -0.165
  164   HG13  ILE  25          2HG1      ILE  25  -1.390  -1.636  -1.886
  165   HG21  ILE  25          1HG2      ILE  25   0.472   1.529   0.318
  166   HG22  ILE  25          2HG2      ILE  25  -0.698   0.463   1.147
  167   HG23  ILE  25          3HG2      ILE  25   0.922  -0.110   0.722
  168   HD11  ILE  25          3HD1      ILE  25   0.914  -2.357  -1.319
  169   HD12  ILE  25          1HD1      ILE  25   0.513  -2.256   0.416
  170   HD13  ILE  25          2HD1      ILE  25  -0.338  -3.403  -0.606
  171    H    LYS  26           H        LYS  26  -2.127   2.414   0.621
  172    HA   LYS  26           HA       LYS  26  -4.485   0.987   1.451
  173    HB2  LYS  26           1HB      LYS  26  -3.508   3.811   2.019
  174    HB3  LYS  26           2HB      LYS  26  -4.960   3.146   2.756
  175    HG2  LYS  26           1HG      LYS  26  -2.218   1.837   3.027
  176    HG3  LYS  26           2HG      LYS  26  -2.870   3.018   4.165
  177    HD2  LYS  26           1HD      LYS  26  -4.805   1.507   4.612
  178    HD3  LYS  26           2HD      LYS  26  -4.097   0.296   3.518
  179    HE2  LYS  26           1HE      LYS  26  -2.053   0.215   4.915
  180    HE3  LYS  26           2HE      LYS  26  -2.736   1.432   6.001
  181    HZ1  LYS  26           3HZ      LYS  26  -3.891  -1.270   5.535
  182    HZ2  LYS  26           1HZ      LYS  26  -4.522  -0.141   6.538
  183    HZ3  LYS  26           2HZ      LYS  26  -3.073  -0.809   6.869
  184    H    SER  27           H        SER  27  -4.196   3.859  -0.676
  185    HA   SER  27           HA       SER  27  -7.006   4.148  -1.161
  186    HB2  SER  27           1HB      SER  27  -4.663   4.774  -3.003
  187    HB3  SER  27           2HB      SER  27  -6.341   5.289  -3.247
  188    HG   SER  27           HG       SER  27  -4.567   6.002  -1.143
  189    H    HIS  28           H        HIS  28  -4.556   2.124  -2.885
  190    HA   HIS  28           HA       HIS  28  -6.348   0.999  -4.789
  191    HB2  HIS  28           1HB      HIS  28  -3.966   0.812  -5.060
  192    HB3  HIS  28           2HB      HIS  28  -3.779  -0.022  -3.530
  193    HD1  HIS  28           1HD      HIS  28  -5.138  -0.731  -7.067
  194    HD2  HIS  28           2HD      HIS  28  -4.020  -2.623  -3.484
  195    HE1  HIS  28           1HE      HIS  28  -5.055  -3.210  -7.597
  196    H    ILE  29           H        ILE  29  -5.434  -0.234  -1.545
  197    HA   ILE  29           HA       ILE  29  -7.123  -2.539  -1.583
  198    HB   ILE  29           HB       ILE  29  -6.017  -0.880   0.710
  199   HG12  ILE  29          1HG1      ILE  29  -5.219  -3.626  -0.385
  200   HG13  ILE  29          2HG1      ILE  29  -4.382  -2.127  -0.769
  201   HG21  ILE  29          1HG2      ILE  29  -8.043  -2.035   1.533
  202   HG22  ILE  29          2HG2      ILE  29  -7.457  -3.569   0.856
  203   HG23  ILE  29          3HG2      ILE  29  -6.614  -2.782   2.205
  204   HD11  ILE  29          3HD1      ILE  29  -3.111  -3.246   0.898
  205   HD12  ILE  29          1HD1      ILE  29  -3.842  -1.818   1.654
  206   HD13  ILE  29          2HD1      ILE  29  -4.507  -3.445   1.959
  207    H    LYS  30           H        LYS  30  -7.853   0.821  -0.528
  208    HA   LYS  30           HA       LYS  30 -10.544   0.202   0.347
  209    HB2  LYS  30           1HB      LYS  30  -9.113   2.786  -0.377
  210    HB3  LYS  30           2HB      LYS  30 -10.806   2.752   0.131
  211    HG2  LYS  30           1HG      LYS  30 -10.242   1.728   2.262
  212    HG3  LYS  30           2HG      LYS  30  -8.539   1.590   1.808
  213    HD2  LYS  30           1HD      LYS  30  -8.372   4.064   1.650
  214    HD3  LYS  30           2HD      LYS  30 -10.087   4.204   2.103
  215    HE2  LYS  30           1HE      LYS  30  -9.592   3.029   4.251
  216    HE3  LYS  30           2HE      LYS  30  -7.883   2.949   3.805
  217    HZ1  LYS  30           3HZ      LYS  30  -7.849   5.395   3.789
  218    HZ2  LYS  30           1HZ      LYS  30  -8.333   4.850   5.249
  219    HZ3  LYS  30           2HZ      LYS  30  -9.429   5.459   4.207
  220    H    THR  31           H        THR  31  -9.304   1.087  -2.868
  221    HA   THR  31           HA       THR  31 -12.020   1.395  -3.936
  222    HB   THR  31           HB       THR  31 -10.749   1.829  -6.052
  223    HG1  THR  31           1HG      THR  31  -8.500   2.112  -4.409
  224   HG21  THR  31          3HG2      THR  31 -11.523   3.686  -4.655
  225   HG22  THR  31          1HG2      THR  31  -9.944   4.057  -5.368
  226   HG23  THR  31          2HG2      THR  31 -10.058   3.582  -3.658
  227    H    ASN  32           H        ASN  32  -9.549  -1.133  -3.943
  228    HA   ASN  32           HA       ASN  32 -11.143  -2.684  -5.957
  229    HB2  ASN  32           1HB      ASN  32  -8.210  -2.885  -5.152
  230    HB3  ASN  32           2HB      ASN  32  -9.027  -3.930  -6.302
  231   HD21  ASN  32          1HD2      ASN  32  -8.059  -0.542  -5.749
  232   HD22  ASN  32          2HD2      ASN  32  -8.084  -0.117  -7.453
  233    H    HIS  33           H        HIS  33  -9.979  -2.858  -2.617
  234    HA   HIS  33           HA       HIS  33 -11.100  -5.607  -2.361
  235    HB2  HIS  33           1HB      HIS  33  -8.489  -4.744  -1.101
  236    HB3  HIS  33           2HB      HIS  33  -9.146  -6.369  -1.238
  237    HD1  HIS  33           1HD      HIS  33  -9.492  -6.782  -4.283
  238    HD2  HIS  33           2HD      HIS  33  -6.408  -4.538  -2.527
  239    HE1  HIS  33           1HE      HIS  33  -7.619  -6.725  -5.999
  240    HA   PRO  34           HA       PRO  34 -11.799  -2.468   1.262
  241    HB2  PRO  34           1HB      PRO  34 -14.509  -1.954   1.128
  242    HB3  PRO  34           2HB      PRO  34 -13.255  -0.995   0.290
  243    HG2  PRO  34           1HG      PRO  34 -14.916  -3.277  -0.835
  244    HG3  PRO  34           2HG      PRO  34 -14.638  -1.654  -1.551
  245    HD2  PRO  34           1HD      PRO  34 -13.169  -3.771  -2.345
  246    HD3  PRO  34           2HD      PRO  34 -12.389  -2.176  -2.087
  247    H    GLU  35           H        GLU  35 -13.532  -5.339   0.234
  248    HA   GLU  35           HA       GLU  35 -14.706  -6.071   2.753
  249    HB2  GLU  35           1HB      GLU  35 -15.016  -8.248   1.733
  250    HB3  GLU  35           2HB      GLU  35 -15.447  -6.968   0.602
  251    HG2  GLU  35           1HG      GLU  35 -13.246  -7.248  -0.549
  252    HG3  GLU  35           2HG      GLU  35 -12.823  -8.533   0.580
  253    H    VAL  36           H        VAL  36 -11.368  -6.061   1.842
  254    HA   VAL  36           HA       VAL  36 -10.608  -8.277   3.600
  255    HB   VAL  36           HB       VAL  36  -9.503  -7.460   1.371
  256   HG11  VAL  36          1HG1      VAL  36  -8.917  -5.153   2.258
  257   HG12  VAL  36          2HG1      VAL  36  -7.740  -5.933   3.328
  258   HG13  VAL  36          3HG1      VAL  36  -7.569  -6.073   1.568
  259   HG21  VAL  36          3HG2      VAL  36  -7.416  -8.540   1.993
  260   HG22  VAL  36          1HG2      VAL  36  -7.824  -8.403   3.717
  261   HG23  VAL  36          2HG2      VAL  36  -8.807  -9.423   2.641
  262    H    SER  37           H        SER  37 -11.353  -5.034   4.159
  263    HA   SER  37           HA       SER  37  -9.478  -4.495   6.357
  264    HB2  SER  37           1HB      SER  37 -11.913  -2.989   5.334
  265    HB3  SER  37           2HB      SER  37 -10.872  -2.446   6.662
  266    HG   SER  37           HG       SER  37  -9.976  -3.048   4.012
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  21.865   0.831  -3.540
    2    H2   GLY   1           2H       GLY   1  21.461  -0.207  -2.332
    3    H3   GLY   1           3H       GLY   1  20.540  -0.125  -3.682
    4    HA2  GLY   1           1HA      GLY   1  22.299  -1.012  -5.044
    5    HA3  GLY   1           2HA      GLY   1  23.337  -1.051  -3.609
    6    H    SER   2           H        SER   2  23.254  -3.388  -4.748
    7    HA   SER   2           HA       SER   2  21.038  -5.084  -4.336
    8    HB2  SER   2           1HB      SER   2  23.978  -5.858  -4.421
    9    HB3  SER   2           2HB      SER   2  22.592  -6.911  -4.762
   10    HG   SER   2           HG       SER   2  23.533  -6.070  -6.685
   11    H    SER   3           H        SER   3  23.555  -4.195  -2.034
   12    HA   SER   3           HA       SER   3  22.813  -6.308  -0.119
   13    HB2  SER   3           1HB      SER   3  24.866  -4.086   0.114
   14    HB3  SER   3           2HB      SER   3  24.692  -5.486   1.188
   15    HG   SER   3           HG       SER   3  26.319  -5.816  -0.399
   16    H    GLY   4           H        GLY   4  21.586  -3.185  -0.710
   17    HA2  GLY   4           1HA      GLY   4  19.760  -3.081   1.344
   18    HA3  GLY   4           2HA      GLY   4  21.184  -2.315   2.047
   19    H    SER   5           H        SER   5  18.788  -0.992   1.780
   20    HA   SER   5           HA       SER   5  19.468   1.304   0.049
   21    HB2  SER   5           1HB      SER   5  17.215   1.356  -0.947
   22    HB3  SER   5           2HB      SER   5  18.088  -0.115  -1.403
   23    HG   SER   5           HG       SER   5  15.902  -0.520  -0.754
   24    H    SER   6           H        SER   6  18.230   3.230   0.541
   25    HA   SER   6           HA       SER   6  17.323   3.407   3.354
   26    HB2  SER   6           1HB      SER   6  17.461   5.847   2.936
   27    HB3  SER   6           2HB      SER   6  18.987   4.988   2.658
   28    HG   SER   6           HG       SER   6  18.505   6.478   0.968
   29    H    GLY   7           H        GLY   7  15.992   3.769   0.083
   30    HA2  GLY   7           1HA      GLY   7  13.376   4.747   0.951
   31    HA3  GLY   7           2HA      GLY   7  13.827   4.224  -0.669
   32    H    ARG   8           H        ARG   8  11.359   3.581   0.515
   33    HA   ARG   8           HA       ARG   8  11.477   0.611   0.442
   34    HB2  ARG   8           1HB      ARG   8   9.986   2.192   2.593
   35    HB3  ARG   8           2HB      ARG   8   9.651   0.520   2.177
   36    HG2  ARG   8           1HG      ARG   8  11.009   0.181   3.959
   37    HG3  ARG   8           2HG      ARG   8  12.191   0.092   2.657
   38    HD2  ARG   8           1HD      ARG   8  12.753   2.540   3.143
   39    HD3  ARG   8           2HD      ARG   8  11.600   2.483   4.463
   40    HE   ARG   8           HE       ARG   8  13.140   1.369   5.764
   41   HH11  ARG   8          2HH1      ARG   8  14.324   1.068   2.442
   42   HH12  ARG   8          1HH1      ARG   8  15.920   0.636   3.001
   43   HH21  ARG   8          2HH2      ARG   8  15.198   0.713   6.329
   44   HH22  ARG   8          1HH2      ARG   8  16.360   0.363   5.078
   45    H    SER   9           H        SER   9   9.699  -0.397  -0.368
   46    HA   SER   9           HA       SER   9   7.508   1.226  -1.571
   47    HB2  SER   9           1HB      SER   9   7.582  -0.207  -3.563
   48    HB3  SER   9           2HB      SER   9   9.083   0.706  -3.349
   49    HG   SER   9           HG       SER   9   9.487  -1.497  -3.866
   50    H    TYR  10           H        TYR  10   5.672  -0.224  -2.282
   51    HA   TYR  10           HA       TYR  10   5.072  -2.290  -0.199
   52    HB2  TYR  10           1HB      TYR  10   3.213  -0.091  -1.177
   53    HB3  TYR  10           2HB      TYR  10   2.906  -1.260   0.099
   54    HD1  TYR  10           2HD      TYR  10   4.744   1.824  -0.824
   55    HD2  TYR  10           1HD      TYR  10   3.855  -0.968   2.345
   56    HE1  TYR  10           2HE      TYR  10   5.790   3.365   0.827
   57    HE2  TYR  10           1HE      TYR  10   4.849   0.609   4.004
   58    HH   TYR  10           HH       TYR  10   6.312   3.732   3.030
   59    H    SER  11           H        SER  11   3.550  -3.916  -0.825
   60    HA   SER  11           HA       SER  11   2.578  -3.885  -3.633
   61    HB2  SER  11           1HB      SER  11   4.085  -6.196  -2.376
   62    HB3  SER  11           2HB      SER  11   3.133  -6.301  -3.869
   63    HG   SER  11           HG       SER  11   5.416  -5.903  -4.192
   64    H    CYS  12           H        CYS  12   0.616  -4.709  -3.957
   65    HA   CYS  12           HA       CYS  12  -1.258  -4.733  -1.953
   66    HB2  CYS  12           1HB      CYS  12  -1.726  -4.339  -4.278
   67    HB3  CYS  12           2HB      CYS  12  -1.317  -6.016  -4.686
   68    HA   PRO  13           HA       PRO  13  -0.777  -8.882  -0.211
   69    HB2  PRO  13           1HB      PRO  13  -2.758  -8.834   1.666
   70    HB3  PRO  13           2HB      PRO  13  -1.249  -7.887   1.822
   71    HG2  PRO  13           1HG      PRO  13  -3.946  -6.937   0.812
   72    HG3  PRO  13           2HG      PRO  13  -2.882  -6.157   2.022
   73    HD2  PRO  13           1HD      PRO  13  -2.903  -5.423  -0.617
   74    HD3  PRO  13           2HD      PRO  13  -1.408  -5.377   0.367
   75    H    VAL  14           H        VAL  14  -3.363  -7.792  -2.167
   76    HA   VAL  14           HA       VAL  14  -4.715 -10.473  -2.146
   77    HB   VAL  14           HB       VAL  14  -5.881  -7.851  -3.101
   78   HG11  VAL  14          1HG1      VAL  14  -8.040  -9.064  -2.853
   79   HG12  VAL  14          2HG1      VAL  14  -6.996  -9.826  -4.053
   80   HG13  VAL  14          3HG1      VAL  14  -7.151 -10.543  -2.433
   81   HG21  VAL  14          3HG2      VAL  14  -5.535  -7.585  -0.721
   82   HG22  VAL  14          1HG2      VAL  14  -7.238  -7.927  -0.987
   83   HG23  VAL  14          2HG2      VAL  14  -6.168  -9.216  -0.395
   84    H    CYS  15           H        CYS  15  -3.326  -8.001  -4.333
   85    HA   CYS  15           HA       CYS  15  -3.370 -10.021  -6.511
   86    HB2  CYS  15           1HB      CYS  15  -4.260  -8.575  -8.069
   87    HB3  CYS  15           2HB      CYS  15  -5.372  -8.618  -6.704
   88    H    GLU  16           H        GLU  16  -1.331  -8.518  -4.783
   89    HA   GLU  16           HA       GLU  16   0.868  -8.114  -4.829
   90    HB2  GLU  16           1HB      GLU  16   0.476 -10.429  -5.962
   91    HB3  GLU  16           2HB      GLU  16   1.119  -9.645  -7.405
   92    HG2  GLU  16           1HG      GLU  16   3.220  -9.126  -6.146
   93    HG3  GLU  16           2HG      GLU  16   2.509  -9.814  -4.688
   94    H    LYS  17           H        LYS  17  -0.828  -6.238  -6.760
   95    HA   LYS  17           HA       LYS  17   1.164  -5.045  -8.489
   96    HB2  LYS  17           1HB      LYS  17  -1.451  -3.998  -7.346
   97    HB3  LYS  17           2HB      LYS  17  -0.459  -3.075  -8.488
   98    HG2  LYS  17           1HG      LYS  17  -0.695  -4.717 -10.220
   99    HG3  LYS  17           2HG      LYS  17  -1.342  -5.903  -9.093
  100    HD2  LYS  17           1HD      LYS  17  -3.325  -4.262  -8.740
  101    HD3  LYS  17           2HD      LYS  17  -2.697  -3.387 -10.137
  102    HE2  LYS  17           1HE      LYS  17  -4.458  -4.895 -10.851
  103    HE3  LYS  17           2HE      LYS  17  -2.920  -5.455 -11.519
  104    HZ1  LYS  17           3HZ      LYS  17  -2.832  -7.150  -9.812
  105    HZ2  LYS  17           1HZ      LYS  17  -4.313  -7.248 -10.507
  106    HZ3  LYS  17           2HZ      LYS  17  -4.120  -6.554  -9.023
  107    H    SER  18           H        SER  18   2.484  -3.351  -8.246
  108    HA   SER  18           HA       SER  18   3.293  -2.791  -5.455
  109    HB2  SER  18           1HB      SER  18   4.841  -2.366  -8.018
  110    HB3  SER  18           2HB      SER  18   5.455  -2.145  -6.370
  111    HG   SER  18           HG       SER  18   5.028  -4.367  -5.982
  112    H    PHE  19           H        PHE  19   3.802  -0.849  -4.605
  113    HA   PHE  19           HA       PHE  19   2.992   1.673  -5.964
  114    HB2  PHE  19           1HB      PHE  19   2.086   0.738  -3.212
  115    HB3  PHE  19           2HB      PHE  19   1.754   2.310  -3.920
  116    HD1  PHE  19           2HD      PHE  19   0.221   2.524  -5.894
  117    HD2  PHE  19           1HD      PHE  19   0.802  -1.237  -3.862
  118    HE1  PHE  19           2HE      PHE  19  -1.769   1.588  -7.050
  119    HE2  PHE  19           1HE      PHE  19  -1.182  -2.167  -5.024
  120    HZ   PHE  19           HZ       PHE  19  -2.448  -0.769  -6.643
  121    H    SER  20           H        SER  20   4.020   3.543  -5.194
  122    HA   SER  20           HA       SER  20   6.622   3.076  -3.940
  123    HB2  SER  20           1HB      SER  20   7.008   5.449  -4.607
  124    HB3  SER  20           2HB      SER  20   6.553   4.374  -5.940
  125    HG   SER  20           HG       SER  20   5.390   6.362  -5.984
  126    H    GLU  21           H        GLU  21   3.561   4.314  -2.814
  127    HA   GLU  21           HA       GLU  21   4.806   5.199  -0.260
  128    HB2  GLU  21           1HB      GLU  21   2.945   6.892  -1.969
  129    HB3  GLU  21           2HB      GLU  21   3.326   7.215  -0.279
  130    HG2  GLU  21           1HG      GLU  21   5.778   7.309  -0.913
  131    HG3  GLU  21           2HG      GLU  21   5.294   7.200  -2.611
  132    H    ASP  22           H        ASP  22   3.483   5.228   1.543
  133    HA   ASP  22           HA       ASP  22   1.864   2.967   1.822
  134    HB2  ASP  22           1HB      ASP  22   3.193   3.992   3.593
  135    HB3  ASP  22           2HB      ASP  22   2.200   5.447   3.551
  136    H    ARG  23           H        ARG  23   0.784   6.357   1.391
  137    HA   ARG  23           HA       ARG  23  -2.023   5.774   1.796
  138    HB2  ARG  23           1HB      ARG  23  -2.475   7.978   1.007
  139    HB3  ARG  23           2HB      ARG  23  -1.036   8.045   2.022
  140    HG2  ARG  23           1HG      ARG  23   0.378   8.053  -0.057
  141    HG3  ARG  23           2HG      ARG  23  -1.097   8.074  -1.034
  142    HD2  ARG  23           1HD      ARG  23  -1.774  10.218  -0.055
  143    HD3  ARG  23           2HD      ARG  23  -0.345  10.234   0.981
  144    HE   ARG  23           HE       ARG  23  -0.485  10.846  -1.883
  145   HH11  ARG  23          2HH1      ARG  23   1.737  10.043   0.705
  146   HH12  ARG  23          1HH1      ARG  23   3.147  10.225  -0.321
  147   HH21  ARG  23          2HH2      ARG  23   1.373  11.094  -3.122
  148   HH22  ARG  23          1HH2      ARG  23   2.918  10.640  -2.436
  149    H    LEU  24           H        LEU  24   0.041   5.280  -0.971
  150    HA   LEU  24           HA       LEU  24  -2.146   5.307  -2.924
  151    HB2  LEU  24           1HB      LEU  24   0.716   4.321  -3.201
  152    HB3  LEU  24           2HB      LEU  24  -0.427   4.571  -4.513
  153    HG   LEU  24           HG       LEU  24   0.697   6.760  -2.707
  154   HD11  LEU  24          1HD1      LEU  24   1.930   7.457  -4.708
  155   HD12  LEU  24          2HD1      LEU  24   1.249   6.097  -5.628
  156   HD13  LEU  24          3HD1      LEU  24   2.354   5.798  -4.269
  157   HD21  LEU  24          3HD2      LEU  24  -1.539   7.396  -3.495
  158   HD22  LEU  24          1HD2      LEU  24  -1.100   6.956  -5.161
  159   HD23  LEU  24          2HD2      LEU  24  -0.306   8.324  -4.352
  160    H    ILE  25           H        ILE  25  -0.208   2.735  -1.309
  161    HA   ILE  25           HA       ILE  25  -1.779   0.610  -2.485
  162    HB   ILE  25           HB       ILE  25   0.447   0.184  -1.606
  163   HG12  ILE  25          1HG1      ILE  25  -1.703  -1.422  -0.157
  164   HG13  ILE  25          2HG1      ILE  25  -1.300  -1.594  -1.867
  165   HG21  ILE  25          1HG2      ILE  25  -0.727   0.498   1.188
  166   HG22  ILE  25          2HG2      ILE  25   0.926   0.017   0.782
  167   HG23  ILE  25          3HG2      ILE  25   0.396   1.641   0.400
  168   HD11  ILE  25          3HD1      ILE  25   0.998  -2.281  -1.259
  169   HD12  ILE  25          1HD1      ILE  25   0.569  -2.171   0.470
  170   HD13  ILE  25          2HD1      ILE  25  -0.247  -3.341  -0.560
  171    H    LYS  26           H        LYS  26  -2.149   2.457   0.596
  172    HA   LYS  26           HA       LYS  26  -4.468   1.007   1.487
  173    HB2  LYS  26           1HB      LYS  26  -3.435   3.809   2.032
  174    HB3  LYS  26           2HB      LYS  26  -4.924   3.193   2.765
  175    HG2  LYS  26           1HG      LYS  26  -3.765   1.344   3.812
  176    HG3  LYS  26           2HG      LYS  26  -2.250   1.746   2.989
  177    HD2  LYS  26           1HD      LYS  26  -2.120   3.883   4.184
  178    HD3  LYS  26           2HD      LYS  26  -3.669   3.555   4.997
  179    HE2  LYS  26           1HE      LYS  26  -2.745   1.618   6.137
  180    HE3  LYS  26           2HE      LYS  26  -1.259   1.701   5.175
  181    HZ1  LYS  26           3HZ      LYS  26  -2.095   3.802   7.095
  182    HZ2  LYS  26           1HZ      LYS  26  -0.713   3.781   6.196
  183    HZ3  LYS  26           2HZ      LYS  26  -0.943   2.670   7.376
  184    H    SER  27           H        SER  27  -4.236   3.843  -0.680
  185    HA   SER  27           HA       SER  27  -7.052   4.138  -1.121
  186    HB2  SER  27           1HB      SER  27  -4.738   4.720  -3.012
  187    HB3  SER  27           2HB      SER  27  -6.418   5.230  -3.243
  188    HG   SER  27           HG       SER  27  -4.626   5.980  -1.167
  189    H    HIS  28           H        HIS  28  -4.627   2.098  -2.867
  190    HA   HIS  28           HA       HIS  28  -6.465   0.948  -4.719
  191    HB2  HIS  28           1HB      HIS  28  -4.084   0.791  -5.039
  192    HB3  HIS  28           2HB      HIS  28  -3.858  -0.060  -3.519
  193    HD1  HIS  28           1HD      HIS  28  -5.665  -0.754  -6.894
  194    HD2  HIS  28           2HD      HIS  28  -3.809  -2.641  -3.626
  195    HE1  HIS  28           1HE      HIS  28  -5.627  -3.225  -7.459
  196    H    ILE  29           H        ILE  29  -5.465  -0.240  -1.477
  197    HA   ILE  29           HA       ILE  29  -7.133  -2.561  -1.456
  198    HB   ILE  29           HB       ILE  29  -6.053  -0.850   0.810
  199   HG12  ILE  29          1HG1      ILE  29  -5.209  -3.600  -0.238
  200   HG13  ILE  29          2HG1      ILE  29  -4.412  -2.092  -0.669
  201   HG21  ILE  29          1HG2      ILE  29  -6.616  -2.735   2.333
  202   HG22  ILE  29          2HG2      ILE  29  -8.063  -2.039   1.640
  203   HG23  ILE  29          3HG2      ILE  29  -7.435  -3.572   0.998
  204   HD11  ILE  29          3HD1      ILE  29  -4.479  -3.335   2.097
  205   HD12  ILE  29          1HD1      ILE  29  -3.098  -3.150   1.014
  206   HD13  ILE  29          2HD1      ILE  29  -3.843  -1.709   1.734
  207    H    LYS  30           H        LYS  30  -7.917   0.844  -0.458
  208    HA   LYS  30           HA       LYS  30 -10.549   0.277   0.430
  209    HB2  LYS  30           1HB      LYS  30  -9.212   2.193   1.086
  210    HB3  LYS  30           2HB      LYS  30  -9.065   2.733  -0.581
  211    HG2  LYS  30           1HG      LYS  30 -10.542   4.119   0.576
  212    HG3  LYS  30           2HG      LYS  30 -11.434   3.250  -0.680
  213    HD2  LYS  30           1HD      LYS  30 -12.360   1.707   1.056
  214    HD3  LYS  30           2HD      LYS  30 -11.435   2.569   2.306
  215    HE2  LYS  30           1HE      LYS  30 -12.659   4.664   1.749
  216    HE3  LYS  30           2HE      LYS  30 -13.576   3.800   0.509
  217    HZ1  LYS  30           3HZ      LYS  30 -14.823   3.956   2.587
  218    HZ2  LYS  30           1HZ      LYS  30 -13.650   3.185   3.418
  219    HZ3  LYS  30           2HZ      LYS  30 -14.501   2.388   2.270
  220    H    THR  31           H        THR  31  -9.375   1.149  -2.900
  221    HA   THR  31           HA       THR  31 -12.111   1.310  -3.889
  222    HB   THR  31           HB       THR  31 -10.958   1.696  -6.049
  223    HG1  THR  31           1HG      THR  31  -8.674   2.121  -5.836
  224   HG21  THR  31          3HG2      THR  31 -10.018   3.888  -5.484
  225   HG22  THR  31          1HG2      THR  31  -9.954   3.441  -3.766
  226   HG23  THR  31          2HG2      THR  31 -11.518   3.597  -4.590
  227    H    ASN  32           H        ASN  32  -9.511  -1.108  -4.067
  228    HA   ASN  32           HA       ASN  32 -11.153  -2.754  -5.949
  229    HB2  ASN  32           1HB      ASN  32  -8.191  -2.760  -5.235
  230    HB3  ASN  32           2HB      ASN  32  -8.963  -4.001  -6.203
  231   HD21  ASN  32          1HD2      ASN  32  -8.571  -0.386  -6.170
  232   HD22  ASN  32          2HD2      ASN  32  -8.513  -0.307  -7.923
  233    H    HIS  33           H        HIS  33  -9.951  -2.859  -2.626
  234    HA   HIS  33           HA       HIS  33 -10.997  -5.638  -2.330
  235    HB2  HIS  33           1HB      HIS  33  -8.406  -4.641  -1.122
  236    HB3  HIS  33           2HB      HIS  33  -9.021  -6.288  -1.159
  237    HD1  HIS  33           1HD      HIS  33  -9.439  -6.904  -4.142
  238    HD2  HIS  33           2HD      HIS  33  -6.387  -4.431  -2.660
  239    HE1  HIS  33           1HE      HIS  33  -7.640  -6.888  -5.931
  240    HA   PRO  34           HA       PRO  34 -12.042  -2.431   1.090
  241    HB2  PRO  34           1HB      PRO  34 -14.774  -2.198   0.850
  242    HB3  PRO  34           2HB      PRO  34 -13.597  -1.207  -0.065
  243    HG2  PRO  34           1HG      PRO  34 -15.012  -3.738  -0.977
  244    HG3  PRO  34           2HG      PRO  34 -14.878  -2.170  -1.844
  245    HD2  PRO  34           1HD      PRO  34 -13.184  -4.194  -2.406
  246    HD3  PRO  34           2HD      PRO  34 -12.584  -2.510  -2.296
  247    H    GLU  35           H        GLU  35 -13.657  -5.474   0.251
  248    HA   GLU  35           HA       GLU  35 -14.550  -5.975   3.008
  249    HB2  GLU  35           1HB      GLU  35 -15.523  -7.994   2.136
  250    HB3  GLU  35           2HB      GLU  35 -15.944  -6.622   1.117
  251    HG2  GLU  35           1HG      GLU  35 -14.167  -7.309  -0.515
  252    HG3  GLU  35           2HG      GLU  35 -13.803  -8.706   0.499
  253    H    VAL  36           H        VAL  36 -11.555  -5.999   1.803
  254    HA   VAL  36           HA       VAL  36 -10.643  -8.479   3.183
  255    HB   VAL  36           HB       VAL  36  -9.019  -7.262   0.975
  256   HG11  VAL  36          1HG1      VAL  36  -9.626 -10.137   1.813
  257   HG12  VAL  36          2HG1      VAL  36  -8.471  -9.643   0.560
  258   HG13  VAL  36          3HG1      VAL  36  -8.168  -9.227   2.247
  259   HG21  VAL  36          3HG2      VAL  36 -11.429  -9.043   0.435
  260   HG22  VAL  36          1HG2      VAL  36 -11.226  -7.368  -0.123
  261   HG23  VAL  36          2HG2      VAL  36 -10.161  -8.630  -0.738
  262    H    SER  37           H        SER  37 -10.930  -5.619   4.176
  263    HA   SER  37           HA       SER  37  -8.264  -4.614   4.719
  264    HB2  SER  37           1HB      SER  37  -9.455  -3.023   6.197
  265    HB3  SER  37           2HB      SER  37 -10.080  -3.065   4.540
  266    HG   SER  37           HG       SER  37 -11.789  -3.119   6.102
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  19.619  -7.091 -13.116
    2    H2   GLY   1           2H       GLY   1  18.992  -6.290 -14.398
    3    H3   GLY   1           3H       GLY   1  18.414  -7.771 -13.994
    4    HA2  GLY   1           1HA      GLY   1  16.852  -6.084 -13.306
    5    HA3  GLY   1           2HA      GLY   1  17.544  -6.936 -11.913
    6    H    SER   2           H        SER   2  16.911  -5.035 -10.684
    7    HA   SER   2           HA       SER   2  19.030  -2.977 -10.570
    8    HB2  SER   2           1HB      SER   2  17.397  -1.143 -10.466
    9    HB3  SER   2           2HB      SER   2  17.359  -1.966 -12.029
   10    HG   SER   2           HG       SER   2  15.250  -1.584 -11.208
   11    H    SER   3           H        SER   3  18.874  -1.634  -8.613
   12    HA   SER   3           HA       SER   3  17.620  -2.983  -6.260
   13    HB2  SER   3           1HB      SER   3  20.517  -2.081  -6.476
   14    HB3  SER   3           2HB      SER   3  19.723  -2.683  -5.011
   15    HG   SER   3           HG       SER   3  20.914  -4.321  -6.105
   16    H    GLY   4           H        GLY   4  17.343  -1.670  -4.400
   17    HA2  GLY   4           1HA      GLY   4  18.050   1.094  -4.211
   18    HA3  GLY   4           2HA      GLY   4  16.389   0.954  -4.792
   19    H    SER   5           H        SER   5  16.705   2.236  -2.502
   20    HA   SER   5           HA       SER   5  15.345   0.545  -0.506
   21    HB2  SER   5           1HB      SER   5  17.768   0.193  -0.036
   22    HB3  SER   5           2HB      SER   5  17.964   1.938   0.192
   23    HG   SER   5           HG       SER   5  17.635   0.782   2.172
   24    H    SER   6           H        SER   6  16.786   3.785  -1.164
   25    HA   SER   6           HA       SER   6  15.521   5.295   0.749
   26    HB2  SER   6           1HB      SER   6  16.105   6.164  -2.106
   27    HB3  SER   6           2HB      SER   6  15.911   7.224  -0.695
   28    HG   SER   6           HG       SER   6  18.123   6.786  -1.152
   29    H    GLY   7           H        GLY   7  13.565   6.094   1.164
   30    HA2  GLY   7           1HA      GLY   7  11.373   6.787   0.921
   31    HA3  GLY   7           2HA      GLY   7  11.472   6.511  -0.817
   32    H    ARG   8           H        ARG   8  12.426   3.617   0.231
   33    HA   ARG   8           HA       ARG   8  11.574   1.539   0.274
   34    HB2  ARG   8           1HB      ARG   8   9.314   2.725   1.922
   35    HB3  ARG   8           2HB      ARG   8   9.753   1.023   1.824
   36    HG2  ARG   8           1HG      ARG   8  12.007   1.542   2.753
   37    HG3  ARG   8           2HG      ARG   8  11.518   3.228   2.976
   38    HD2  ARG   8           1HD      ARG   8  10.160   0.813   4.242
   39    HD3  ARG   8           2HD      ARG   8  11.332   1.872   5.043
   40    HE   ARG   8           HE       ARG   8   9.228   3.497   4.034
   41   HH11  ARG   8          2HH1      ARG   8   9.650   1.110   6.562
   42   HH12  ARG   8          1HH1      ARG   8   8.389   1.799   7.549
   43   HH21  ARG   8          2HH2      ARG   8   7.652   4.337   5.344
   44   HH22  ARG   8          1HH2      ARG   8   7.296   3.587   6.874
   45    H    SER   9           H        SER   9   9.613   0.090  -0.086
   46    HA   SER   9           HA       SER   9   7.674   1.101  -2.062
   47    HB2  SER   9           1HB      SER   9   8.063  -0.765  -3.598
   48    HB3  SER   9           2HB      SER   9   9.482   0.283  -3.467
   49    HG   SER   9           HG       SER   9  10.047  -1.943  -3.366
   50    H    TYR  10           H        TYR  10   5.918  -0.389  -2.454
   51    HA   TYR  10           HA       TYR  10   5.282  -2.243  -0.199
   52    HB2  TYR  10           1HB      TYR  10   3.448  -0.101  -1.343
   53    HB3  TYR  10           2HB      TYR  10   3.098  -1.192  -0.012
   54    HD1  TYR  10           2HD      TYR  10   4.987   1.821  -1.059
   55    HD2  TYR  10           1HD      TYR  10   3.971  -0.769   2.239
   56    HE1  TYR  10           2HE      TYR  10   5.954   3.475   0.541
   57    HE2  TYR  10           1HE      TYR  10   4.890   0.905   3.835
   58    HH   TYR  10           HH       TYR  10   5.911   2.924   4.082
   59    H    SER  11           H        SER  11   3.640  -3.858  -0.740
   60    HA   SER  11           HA       SER  11   2.698  -3.906  -3.532
   61    HB2  SER  11           1HB      SER  11   3.221  -6.282  -3.832
   62    HB3  SER  11           2HB      SER  11   4.663  -5.265  -3.688
   63    HG   SER  11           HG       SER  11   4.846  -7.170  -2.428
   64    H    CYS  12           H        CYS  12   0.748  -4.778  -3.900
   65    HA   CYS  12           HA       CYS  12  -1.137  -4.671  -1.856
   66    HB2  CYS  12           1HB      CYS  12  -1.595  -4.213  -4.168
   67    HB3  CYS  12           2HB      CYS  12  -1.284  -5.905  -4.608
   68    HA   PRO  13           HA       PRO  13  -0.822  -8.852  -0.169
   69    HB2  PRO  13           1HB      PRO  13  -2.811  -8.759   1.701
   70    HB3  PRO  13           2HB      PRO  13  -1.265  -7.878   1.877
   71    HG2  PRO  13           1HG      PRO  13  -3.918  -6.799   0.883
   72    HG3  PRO  13           2HG      PRO  13  -2.818  -6.083   2.100
   73    HD2  PRO  13           1HD      PRO  13  -2.820  -5.316  -0.532
   74    HD3  PRO  13           2HD      PRO  13  -1.325  -5.334   0.451
   75    H    VAL  14           H        VAL  14  -3.357  -7.654  -2.126
   76    HA   VAL  14           HA       VAL  14  -4.808 -10.283  -2.128
   77    HB   VAL  14           HB       VAL  14  -5.868  -7.599  -3.027
   78   HG11  VAL  14          1HG1      VAL  14  -8.077  -8.712  -2.817
   79   HG12  VAL  14          2HG1      VAL  14  -7.070  -9.493  -4.032
   80   HG13  VAL  14          3HG1      VAL  14  -7.263 -10.242  -2.431
   81   HG21  VAL  14          3HG2      VAL  14  -7.222  -7.683  -0.901
   82   HG22  VAL  14          1HG2      VAL  14  -6.195  -9.027  -0.358
   83   HG23  VAL  14          2HG2      VAL  14  -5.505  -7.412  -0.645
   84    H    CYS  15           H        CYS  15  -3.331  -7.857  -4.306
   85    HA   CYS  15           HA       CYS  15  -3.476  -9.872  -6.494
   86    HB2  CYS  15           1HB      CYS  15  -4.085  -8.264  -8.095
   87    HB3  CYS  15           2HB      CYS  15  -5.302  -8.308  -6.820
   88    H    GLU  16           H        GLU  16  -1.362  -8.335  -4.668
   89    HA   GLU  16           HA       GLU  16   0.851  -8.027  -4.679
   90    HB2  GLU  16           1HB      GLU  16   0.441 -10.434  -5.612
   91    HB3  GLU  16           2HB      GLU  16   1.174  -9.793  -7.084
   92    HG2  GLU  16           1HG      GLU  16   3.210  -9.177  -5.752
   93    HG3  GLU  16           2HG      GLU  16   2.414  -9.753  -4.290
   94    H    LYS  17           H        LYS  17  -0.754  -6.258  -6.745
   95    HA   LYS  17           HA       LYS  17   1.247  -5.184  -8.504
   96    HB2  LYS  17           1HB      LYS  17  -1.146  -4.653  -8.757
   97    HB3  LYS  17           2HB      LYS  17  -1.144  -3.813  -7.193
   98    HG2  LYS  17           1HG      LYS  17   0.524  -2.210  -8.057
   99    HG3  LYS  17           2HG      LYS  17   0.535  -3.032  -9.625
  100    HD2  LYS  17           1HD      LYS  17  -1.821  -2.375  -9.958
  101    HD3  LYS  17           2HD      LYS  17  -1.860  -1.623  -8.357
  102    HE2  LYS  17           1HE      LYS  17  -0.060  -0.817 -10.694
  103    HE3  LYS  17           2HE      LYS  17  -1.510   0.041 -10.173
  104    HZ1  LYS  17           3HZ      LYS  17   0.971  -0.266  -8.537
  105    HZ2  LYS  17           1HZ      LYS  17  -0.384   0.490  -8.039
  106    HZ3  LYS  17           2HZ      LYS  17   0.477   1.097  -9.289
  107    H    SER  18           H        SER  18   2.871  -3.749  -8.227
  108    HA   SER  18           HA       SER  18   3.759  -3.045  -5.542
  109    HB2  SER  18           1HB      SER  18   4.944  -2.332  -8.241
  110    HB3  SER  18           2HB      SER  18   5.714  -2.098  -6.659
  111    HG   SER  18           HG       SER  18   6.384  -4.052  -7.688
  112    H    PHE  19           H        PHE  19   4.095  -1.041  -4.685
  113    HA   PHE  19           HA       PHE  19   3.093   1.423  -6.007
  114    HB2  PHE  19           1HB      PHE  19   2.220   0.332  -3.306
  115    HB3  PHE  19           2HB      PHE  19   2.032   2.016  -3.758
  116    HD1  PHE  19           2HD      PHE  19   0.445   2.736  -5.465
  117    HD2  PHE  19           1HD      PHE  19   0.782  -1.412  -4.334
  118    HE1  PHE  19           2HE      PHE  19  -1.731   2.262  -6.565
  119    HE2  PHE  19           1HE      PHE  19  -1.369  -1.895  -5.477
  120    HZ   PHE  19           HZ       PHE  19  -2.613  -0.060  -6.609
  121    H    SER  20           H        SER  20   4.015   3.338  -5.222
  122    HA   SER  20           HA       SER  20   6.640   3.012  -3.904
  123    HB2  SER  20           1HB      SER  20   5.405   5.431  -5.257
  124    HB3  SER  20           2HB      SER  20   7.091   5.250  -4.737
  125    HG   SER  20           HG       SER  20   6.819   4.790  -6.975
  126    H    GLU  21           H        GLU  21   3.507   4.013  -2.869
  127    HA   GLU  21           HA       GLU  21   4.627   5.334  -0.445
  128    HB2  GLU  21           1HB      GLU  21   2.502   6.529  -2.255
  129    HB3  GLU  21           2HB      GLU  21   2.906   7.115  -0.643
  130    HG2  GLU  21           1HG      GLU  21   5.199   7.649  -1.390
  131    HG3  GLU  21           2HG      GLU  21   4.826   7.043  -3.008
  132    H    ASP  22           H        ASP  22   3.460   5.115   1.385
  133    HA   ASP  22           HA       ASP  22   1.766   2.914   1.772
  134    HB2  ASP  22           1HB      ASP  22   3.185   3.947   3.474
  135    HB3  ASP  22           2HB      ASP  22   2.225   5.423   3.427
  136    H    ARG  23           H        ARG  23   0.863   6.343   1.313
  137    HA   ARG  23           HA       ARG  23  -1.970   5.958   1.752
  138    HB2  ARG  23           1HB      ARG  23  -2.233   8.201   0.805
  139    HB3  ARG  23           2HB      ARG  23  -0.972   8.137   2.036
  140    HG2  ARG  23           1HG      ARG  23   0.774   8.124   0.276
  141    HG3  ARG  23           2HG      ARG  23  -0.477   8.158  -0.982
  142    HD2  ARG  23           1HD      ARG  23  -1.251  10.333  -0.237
  143    HD3  ARG  23           2HD      ARG  23  -0.139  10.304   1.150
  144    HE   ARG  23           HE       ARG  23   1.601   9.976  -0.927
  145   HH11  ARG  23          2HH1      ARG  23  -0.811  12.497  -0.451
  146   HH12  ARG  23          1HH1      ARG  23   0.116  13.627  -1.403
  147   HH21  ARG  23          1HH2      ARG  23   2.636  11.326  -2.026
  148   HH22  ARG  23          2HH2      ARG  23   2.086  12.984  -2.307
  149    H    LEU  24           H        LEU  24   0.005   5.488  -1.117
  150    HA   LEU  24           HA       LEU  24  -2.284   5.493  -2.952
  151    HB2  LEU  24           1HB      LEU  24   0.590   4.568  -3.346
  152    HB3  LEU  24           2HB      LEU  24  -0.633   4.676  -4.609
  153    HG   LEU  24           HG       LEU  24   0.442   7.049  -3.029
  154   HD11  LEU  24          1HD1      LEU  24   0.905   6.193  -5.918
  155   HD12  LEU  24          2HD1      LEU  24   2.084   6.037  -4.598
  156   HD13  LEU  24          3HD1      LEU  24   1.562   7.643  -5.125
  157   HD21  LEU  24          3HD2      LEU  24  -0.708   8.411  -4.761
  158   HD22  LEU  24          1HD2      LEU  24  -1.844   7.514  -3.754
  159   HD23  LEU  24          2HD2      LEU  24  -1.472   6.937  -5.397
  160    H    ILE  25           H        ILE  25  -0.242   2.934  -1.440
  161    HA   ILE  25           HA       ILE  25  -1.826   0.810  -2.574
  162    HB   ILE  25           HB       ILE  25   0.442   0.436  -1.797
  163   HG12  ILE  25          1HG1      ILE  25  -1.601  -1.278  -0.326
  164   HG13  ILE  25          2HG1      ILE  25  -1.241  -1.394  -2.052
  165   HG21  ILE  25          1HG2      ILE  25   1.031   0.232   0.554
  166   HG22  ILE  25          2HG2      ILE  25   0.394   1.834   0.258
  167   HG23  ILE  25          3HG2      ILE  25  -0.631   0.605   1.048
  168   HD11  ILE  25          3HD1      ILE  25   1.084  -2.035  -1.536
  169   HD12  ILE  25          1HD1      ILE  25   0.728  -1.942   0.212
  170   HD13  ILE  25          2HD1      ILE  25  -0.103  -3.125  -0.782
  171    H    LYS  26           H        LYS  26  -2.134   2.592   0.561
  172    HA   LYS  26           HA       LYS  26  -4.393   1.067   1.485
  173    HB2  LYS  26           1HB      LYS  26  -3.408   3.880   2.063
  174    HB3  LYS  26           2HB      LYS  26  -4.888   3.241   2.793
  175    HG2  LYS  26           1HG      LYS  26  -3.717   1.393   3.817
  176    HG3  LYS  26           2HG      LYS  26  -2.207   1.805   2.988
  177    HD2  LYS  26           1HD      LYS  26  -2.076   3.934   4.195
  178    HD3  LYS  26           2HD      LYS  26  -3.619   3.600   5.016
  179    HE2  LYS  26           1HE      LYS  26  -2.687   1.673   6.154
  180    HE3  LYS  26           2HE      LYS  26  -1.214   1.740   5.173
  181    HZ1  LYS  26           3HZ      LYS  26  -2.009   3.855   7.095
  182    HZ2  LYS  26           1HZ      LYS  26  -0.641   3.822   6.175
  183    HZ3  LYS  26           2HZ      LYS  26  -0.857   2.718   7.362
  184    H    SER  27           H        SER  27  -4.319   3.996  -0.588
  185    HA   SER  27           HA       SER  27  -7.143   4.204  -0.948
  186    HB2  SER  27           1HB      SER  27  -5.476   5.921  -1.610
  187    HB3  SER  27           2HB      SER  27  -4.945   4.875  -2.943
  188    HG   SER  27           HG       SER  27  -6.535   6.443  -3.576
  189    H    HIS  28           H        HIS  28  -4.719   2.318  -2.839
  190    HA   HIS  28           HA       HIS  28  -6.525   1.147  -4.675
  191    HB2  HIS  28           1HB      HIS  28  -4.170   1.056  -5.059
  192    HB3  HIS  28           2HB      HIS  28  -3.859   0.247  -3.535
  193    HD1  HIS  28           1HD      HIS  28  -5.327  -0.582  -7.003
  194    HD2  HIS  28           2HD      HIS  28  -3.951  -2.374  -3.457
  195    HE1  HIS  28           1HE      HIS  28  -5.217  -3.065  -7.486
  196    H    ILE  29           H        ILE  29  -5.424  -0.172  -1.519
  197    HA   ILE  29           HA       ILE  29  -7.038  -2.534  -1.591
  198    HB   ILE  29           HB       ILE  29  -5.903  -0.938   0.734
  199   HG12  ILE  29          1HG1      ILE  29  -4.994  -3.582  -0.513
  200   HG13  ILE  29          2HG1      ILE  29  -4.266  -2.023  -0.876
  201   HG21  ILE  29          1HG2      ILE  29  -6.331  -2.926   2.154
  202   HG22  ILE  29          2HG2      ILE  29  -7.833  -2.261   1.559
  203   HG23  ILE  29          3HG2      ILE  29  -7.163  -3.722   0.802
  204   HD11  ILE  29          3HD1      ILE  29  -3.654  -1.758   1.538
  205   HD12  ILE  29          1HD1      ILE  29  -4.191  -3.439   1.805
  206   HD13  ILE  29          2HD1      ILE  29  -2.858  -3.102   0.700
  207    H    LYS  30           H        LYS  30  -7.830   0.778  -0.352
  208    HA   LYS  30           HA       LYS  30 -10.341   0.097   0.748
  209    HB2  LYS  30           1HB      LYS  30  -8.926   2.034   1.325
  210    HB3  LYS  30           2HB      LYS  30  -9.172   2.719  -0.294
  211    HG2  LYS  30           1HG      LYS  30 -11.547   2.920   0.127
  212    HG3  LYS  30           2HG      LYS  30 -11.369   2.089   1.684
  213    HD2  LYS  30           1HD      LYS  30 -11.624   4.469   2.079
  214    HD3  LYS  30           2HD      LYS  30  -9.981   3.981   2.523
  215    HE2  LYS  30           1HE      LYS  30  -9.128   4.856   0.364
  216    HE3  LYS  30           2HE      LYS  30 -10.774   5.274  -0.131
  217    HZ1  LYS  30           3HZ      LYS  30 -10.867   6.842   1.730
  218    HZ2  LYS  30           1HZ      LYS  30  -9.603   7.203   0.767
  219    HZ3  LYS  30           2HZ      LYS  30  -9.350   6.456   2.197
  220    H    THR  31           H        THR  31  -9.482   1.164  -2.556
  221    HA   THR  31           HA       THR  31 -12.350   1.232  -3.267
  222    HB   THR  31           HB       THR  31 -10.713   3.036  -3.853
  223    HG1  THR  31           1HG      THR  31 -11.803   3.415  -5.766
  224   HG21  THR  31          3HG2      THR  31 -10.043   1.256  -6.224
  225   HG22  THR  31          1HG2      THR  31  -8.935   1.535  -4.857
  226   HG23  THR  31          2HG2      THR  31  -9.441   2.889  -5.875
  227    H    ASN  32           H        ASN  32  -9.638  -0.959  -3.888
  228    HA   ASN  32           HA       ASN  32 -11.315  -2.485  -5.840
  229    HB2  ASN  32           1HB      ASN  32  -8.367  -2.770  -5.142
  230    HB3  ASN  32           2HB      ASN  32  -9.237  -3.683  -6.362
  231   HD21  ASN  32          1HD2      ASN  32  -7.774  -0.636  -5.607
  232   HD22  ASN  32          2HD2      ASN  32  -7.979   0.073  -7.220
  233    H    HIS  33           H        HIS  33 -10.027  -2.806  -2.554
  234    HA   HIS  33           HA       HIS  33 -11.013  -5.617  -2.451
  235    HB2  HIS  33           1HB      HIS  33  -8.475  -4.608  -1.151
  236    HB3  HIS  33           2HB      HIS  33  -9.020  -6.269  -1.310
  237    HD1  HIS  33           1HD      HIS  33  -9.470  -6.494  -4.426
  238    HD2  HIS  33           2HD      HIS  33  -6.307  -4.497  -2.519
  239    HE1  HIS  33           1HE      HIS  33  -7.576  -6.432  -6.115
  240    HA   PRO  34           HA       PRO  34 -11.994  -2.930   1.442
  241    HB2  PRO  34           1HB      PRO  34 -14.659  -2.328   1.201
  242    HB3  PRO  34           2HB      PRO  34 -13.338  -1.305   0.558
  243    HG2  PRO  34           1HG      PRO  34 -15.003  -3.365  -0.929
  244    HG3  PRO  34           2HG      PRO  34 -14.630  -1.680  -1.422
  245    HD2  PRO  34           1HD      PRO  34 -13.191  -3.772  -2.369
  246    HD3  PRO  34           2HD      PRO  34 -12.396  -2.225  -1.939
  247    H    GLU  35           H        GLU  35 -13.944  -5.448  -0.140
  248    HA   GLU  35           HA       GLU  35 -15.099  -6.462   2.339
  249    HB2  GLU  35           1HB      GLU  35 -16.026  -8.209   0.954
  250    HB3  GLU  35           2HB      GLU  35 -16.262  -6.639   0.195
  251    HG2  GLU  35           1HG      GLU  35 -14.323  -7.092  -1.321
  252    HG3  GLU  35           2HG      GLU  35 -14.115  -8.672  -0.567
  253    H    VAL  36           H        VAL  36 -11.979  -6.592   1.250
  254    HA   VAL  36           HA       VAL  36 -11.404  -9.368   2.140
  255    HB   VAL  36           HB       VAL  36  -9.475  -7.553   0.684
  256   HG11  VAL  36          1HG1      VAL  36  -8.561  -9.659   1.545
  257   HG12  VAL  36          2HG1      VAL  36  -9.870 -10.575   0.765
  258   HG13  VAL  36          3HG1      VAL  36  -8.659  -9.728  -0.214
  259   HG21  VAL  36          3HG2      VAL  36 -11.482  -7.514  -0.748
  260   HG22  VAL  36          1HG2      VAL  36 -10.251  -8.544  -1.469
  261   HG23  VAL  36          2HG2      VAL  36 -11.628  -9.280  -0.621
  262    H    SER  37           H        SER  37 -10.924  -6.061   3.067
  263    HA   SER  37           HA       SER  37  -8.628  -6.189   4.729
  264    HB2  SER  37           1HB      SER  37 -11.129  -4.472   5.004
  265    HB3  SER  37           2HB      SER  37  -9.568  -4.164   5.787
  266    HG   SER  37           HG       SER  37  -8.626  -3.995   3.687
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  26.149   0.925  -6.415
    2    H2   GLY   1           2H       GLY   1  26.307   0.373  -7.949
    3    H3   GLY   1           3H       GLY   1  24.841   0.354  -7.217
    4    HA2  GLY   1           1HA      GLY   1  26.356   2.780  -7.931
    5    HA3  GLY   1           2HA      GLY   1  24.954   2.152  -8.819
    6    H    SER   2           H        SER   2  25.434   4.740  -7.328
    7    HA   SER   2           HA       SER   2  23.580   4.653  -5.048
    8    HB2  SER   2           1HB      SER   2  24.277   7.016  -4.778
    9    HB3  SER   2           2HB      SER   2  25.633   5.879  -4.814
   10    HG   SER   2           HG       SER   2  26.004   7.733  -6.136
   11    H    SER   3           H        SER   3  23.117   5.097  -8.372
   12    HA   SER   3           HA       SER   3  21.282   7.253  -8.474
   13    HB2  SER   3           1HB      SER   3  21.439   4.839 -10.315
   14    HB3  SER   3           2HB      SER   3  20.721   6.410 -10.698
   15    HG   SER   3           HG       SER   3  22.783   7.352 -10.526
   16    H    GLY   4           H        GLY   4  19.050   7.359  -8.744
   17    HA2  GLY   4           1HA      GLY   4  16.825   6.732  -8.692
   18    HA3  GLY   4           2HA      GLY   4  17.281   5.052  -8.464
   19    H    SER   5           H        SER   5  15.136   5.930  -7.196
   20    HA   SER   5           HA       SER   5  15.855   6.166  -4.301
   21    HB2  SER   5           1HB      SER   5  13.913   7.663  -4.049
   22    HB3  SER   5           2HB      SER   5  15.134   8.322  -5.147
   23    HG   SER   5           HG       SER   5  13.005   8.530  -5.995
   24    H    SER   6           H        SER   6  14.673   3.967  -6.339
   25    HA   SER   6           HA       SER   6  12.141   3.260  -5.110
   26    HB2  SER   6           1HB      SER   6  12.173   1.444  -6.824
   27    HB3  SER   6           2HB      SER   6  12.366   3.077  -7.472
   28    HG   SER   6           HG       SER   6  13.874   1.572  -8.376
   29    H    GLY   7           H        GLY   7  14.697   2.997  -3.444
   30    HA2  GLY   7           1HA      GLY   7  15.284   0.242  -2.986
   31    HA3  GLY   7           2HA      GLY   7  15.616   1.582  -1.886
   32    H    ARG   8           H        ARG   8  12.550   2.101  -1.891
   33    HA   ARG   8           HA       ARG   8  11.549  -0.226  -0.299
   34    HB2  ARG   8           1HB      ARG   8  11.207   2.724   0.384
   35    HB3  ARG   8           2HB      ARG   8  10.319   1.420   1.154
   36    HG2  ARG   8           1HG      ARG   8  13.352   1.757   1.317
   37    HG3  ARG   8           2HG      ARG   8  12.189   2.358   2.490
   38    HD2  ARG   8           1HD      ARG   8  12.978   0.377   3.438
   39    HD3  ARG   8           2HD      ARG   8  11.373  -0.030   2.809
   40    HE   ARG   8           HE       ARG   8  13.434  -0.585   0.858
   41   HH11  ARG   8          2HH1      ARG   8  12.167  -2.002   3.806
   42   HH12  ARG   8          1HH1      ARG   8  12.665  -3.606   3.335
   43   HH21  ARG   8          2HH2      ARG   8  14.003  -2.577   0.320
   44   HH22  ARG   8          1HH2      ARG   8  13.703  -3.927   1.388
   45    H    SER   9           H        SER   9   9.627  -0.917  -0.824
   46    HA   SER   9           HA       SER   9   7.680   0.738  -2.333
   47    HB2  SER   9           1HB      SER   9   8.574  -2.033  -3.226
   48    HB3  SER   9           2HB      SER   9   7.245  -1.087  -3.923
   49    HG   SER   9           HG       SER   9   9.190  -0.886  -5.131
   50    H    TYR  10           H        TYR  10   5.542  -0.183  -2.357
   51    HA   TYR  10           HA       TYR  10   4.915  -2.051  -0.099
   52    HB2  TYR  10           1HB      TYR  10   3.224   0.194  -1.261
   53    HB3  TYR  10           2HB      TYR  10   2.776  -0.885   0.049
   54    HD1  TYR  10           2HD      TYR  10   5.091   1.875  -0.932
   55    HD2  TYR  10           1HD      TYR  10   3.435  -0.429   2.318
   56    HE1  TYR  10           2HE      TYR  10   6.106   3.454   0.698
   57    HE2  TYR  10           1HE      TYR  10   4.410   1.186   3.950
   58    HH   TYR  10           HH       TYR  10   6.379   3.996   2.912
   59    H    SER  11           H        SER  11   3.654  -3.838  -0.593
   60    HA   SER  11           HA       SER  11   2.779  -4.169  -3.443
   61    HB2  SER  11           1HB      SER  11   3.979  -6.265  -1.613
   62    HB3  SER  11           2HB      SER  11   3.370  -6.530  -3.259
   63    HG   SER  11           HG       SER  11   5.655  -6.206  -3.194
   64    H    CYS  12           H        CYS  12   0.760  -4.772  -3.816
   65    HA   CYS  12           HA       CYS  12  -1.249  -4.684  -1.933
   66    HB2  CYS  12           1HB      CYS  12  -1.597  -4.327  -4.275
   67    HB3  CYS  12           2HB      CYS  12  -1.165  -6.005  -4.643
   68    HA   PRO  13           HA       PRO  13  -1.012  -8.769  -0.031
   69    HB2  PRO  13           1HB      PRO  13  -3.189  -8.653   1.619
   70    HB3  PRO  13           2HB      PRO  13  -1.699  -7.706   1.902
   71    HG2  PRO  13           1HG      PRO  13  -4.260  -6.781   0.562
   72    HG3  PRO  13           2HG      PRO  13  -3.337  -5.967   1.865
   73    HD2  PRO  13           1HD      PRO  13  -3.045  -5.306  -0.768
   74    HD3  PRO  13           2HD      PRO  13  -1.661  -5.272   0.366
   75    H    VAL  14           H        VAL  14  -3.434  -7.783  -2.259
   76    HA   VAL  14           HA       VAL  14  -4.698 -10.513  -2.283
   77    HB   VAL  14           HB       VAL  14  -5.915  -7.860  -3.080
   78   HG11  VAL  14          1HG1      VAL  14  -6.897  -9.660  -4.428
   79   HG12  VAL  14          2HG1      VAL  14  -7.130 -10.656  -2.973
   80   HG13  VAL  14          3HG1      VAL  14  -8.050  -9.153  -3.196
   81   HG21  VAL  14          3HG2      VAL  14  -5.744  -8.039  -0.640
   82   HG22  VAL  14          1HG2      VAL  14  -7.417  -8.256  -1.133
   83   HG23  VAL  14          2HG2      VAL  14  -6.444  -9.672  -0.684
   84    H    CYS  15           H        CYS  15  -3.336  -7.973  -4.405
   85    HA   CYS  15           HA       CYS  15  -3.282  -9.981  -6.598
   86    HB2  CYS  15           1HB      CYS  15  -4.082  -8.510  -8.188
   87    HB3  CYS  15           2HB      CYS  15  -5.264  -8.582  -6.886
   88    H    GLU  16           H        GLU  16  -1.327  -8.476  -4.760
   89    HA   GLU  16           HA       GLU  16   0.881  -8.042  -4.705
   90    HB2  GLU  16           1HB      GLU  16   0.955  -9.821  -7.154
   91    HB3  GLU  16           2HB      GLU  16   2.314  -9.445  -6.092
   92    HG2  GLU  16           1HG      GLU  16   1.089 -10.459  -4.172
   93    HG3  GLU  16           2HG      GLU  16  -0.211 -10.936  -5.267
   94    H    LYS  17           H        LYS  17  -0.728  -6.222  -6.717
   95    HA   LYS  17           HA       LYS  17   1.270  -5.041  -8.422
   96    HB2  LYS  17           1HB      LYS  17  -1.302  -3.943  -7.222
   97    HB3  LYS  17           2HB      LYS  17  -0.303  -3.031  -8.367
   98    HG2  LYS  17           1HG      LYS  17  -0.587  -4.690 -10.101
   99    HG3  LYS  17           2HG      LYS  17  -1.334  -5.814  -8.969
  100    HD2  LYS  17           1HD      LYS  17  -3.213  -4.098  -8.657
  101    HD3  LYS  17           2HD      LYS  17  -2.487  -3.180  -9.977
  102    HE2  LYS  17           1HE      LYS  17  -4.324  -4.541 -10.814
  103    HE3  LYS  17           2HE      LYS  17  -2.801  -5.107 -11.508
  104    HZ1  LYS  17           3HZ      LYS  17  -4.064  -6.365  -9.121
  105    HZ2  LYS  17           1HZ      LYS  17  -2.811  -6.949  -9.975
  106    HZ3  LYS  17           2HZ      LYS  17  -4.299  -6.911 -10.659
  107    H    SER  18           H        SER  18   2.462  -3.200  -8.228
  108    HA   SER  18           HA       SER  18   3.471  -2.718  -5.472
  109    HB2  SER  18           1HB      SER  18   5.005  -3.647  -7.178
  110    HB3  SER  18           2HB      SER  18   4.855  -2.121  -8.084
  111    HG   SER  18           HG       SER  18   6.684  -2.166  -6.676
  112    H    PHE  19           H        PHE  19   3.900  -0.781  -4.654
  113    HA   PHE  19           HA       PHE  19   2.972   1.737  -5.947
  114    HB2  PHE  19           1HB      PHE  19   2.074   0.757  -3.208
  115    HB3  PHE  19           2HB      PHE  19   1.686   2.313  -3.921
  116    HD1  PHE  19           2HD      PHE  19   0.155   2.451  -5.912
  117    HD2  PHE  19           1HD      PHE  19   0.885  -1.266  -3.847
  118    HE1  PHE  19           2HE      PHE  19  -1.784   1.421  -7.075
  119    HE2  PHE  19           1HE      PHE  19  -1.047  -2.290  -5.020
  120    HZ   PHE  19           HZ       PHE  19  -2.363  -0.960  -6.658
  121    H    SER  20           H        SER  20   3.929   3.637  -5.111
  122    HA   SER  20           HA       SER  20   6.525   3.196  -3.814
  123    HB2  SER  20           1HB      SER  20   6.919   5.559  -4.487
  124    HB3  SER  20           2HB      SER  20   6.501   4.474  -5.825
  125    HG   SER  20           HG       SER  20   5.337   6.456  -5.919
  126    H    GLU  21           H        GLU  21   3.433   4.221  -2.680
  127    HA   GLU  21           HA       GLU  21   4.634   5.212  -0.144
  128    HB2  GLU  21           1HB      GLU  21   2.459   6.690  -1.666
  129    HB3  GLU  21           2HB      GLU  21   3.072   7.091  -0.063
  130    HG2  GLU  21           1HG      GLU  21   5.346   7.456  -1.077
  131    HG3  GLU  21           2HG      GLU  21   4.617   7.257  -2.678
  132    H    ASP  22           H        ASP  22   3.366   5.034   1.681
  133    HA   ASP  22           HA       ASP  22   1.653   2.833   1.979
  134    HB2  ASP  22           1HB      ASP  22   2.974   3.868   3.758
  135    HB3  ASP  22           2HB      ASP  22   2.024   5.347   3.652
  136    H    ARG  23           H        ARG  23   0.785   6.263   1.455
  137    HA   ARG  23           HA       ARG  23  -2.067   5.899   1.725
  138    HB2  ARG  23           1HB      ARG  23  -2.275   8.120   0.781
  139    HB3  ARG  23           2HB      ARG  23  -1.002   8.080   2.000
  140    HG2  ARG  23           1HG      ARG  23   0.720   7.999   0.201
  141    HG3  ARG  23           2HG      ARG  23  -0.562   8.039  -1.026
  142    HD2  ARG  23           1HD      ARG  23  -1.297  10.234  -0.248
  143    HD3  ARG  23           2HD      ARG  23  -0.089  10.205   1.056
  144    HE   ARG  23           HE       ARG  23   1.380   9.796  -1.293
  145   HH11  ARG  23          2HH1      ARG  23  -0.623  12.463  -0.171
  146   HH12  ARG  23          1HH1      ARG  23   0.318  13.616  -1.081
  147   HH21  ARG  23          2HH2      ARG  23   2.476  11.185  -2.290
  148   HH22  ARG  23          1HH2      ARG  23   2.083  12.910  -2.304
  149    H    LEU  24           H        LEU  24   0.065   5.267  -0.978
  150    HA   LEU  24           HA       LEU  24  -2.098   5.319  -2.969
  151    HB2  LEU  24           1HB      LEU  24   0.800   4.418  -3.142
  152    HB3  LEU  24           2HB      LEU  24  -0.318   4.468  -4.500
  153    HG   LEU  24           HG       LEU  24   0.543   6.905  -2.879
  154   HD11  LEU  24          1HD1      LEU  24   2.386   5.930  -4.199
  155   HD12  LEU  24          2HD1      LEU  24   1.870   7.485  -4.857
  156   HD13  LEU  24          3HD1      LEU  24   1.373   5.977  -5.659
  157   HD21  LEU  24          3HD2      LEU  24  -1.661   7.278  -3.879
  158   HD22  LEU  24          1HD2      LEU  24  -1.076   6.682  -5.452
  159   HD23  LEU  24          2HD2      LEU  24  -0.438   8.193  -4.761
  160    H    ILE  25           H        ILE  25  -0.190   2.758  -1.297
  161    HA   ILE  25           HA       ILE  25  -1.755   0.633  -2.477
  162    HB   ILE  25           HB       ILE  25   0.441   0.193  -1.537
  163   HG12  ILE  25          1HG1      ILE  25  -1.751  -1.367  -0.104
  164   HG13  ILE  25          2HG1      ILE  25  -1.332  -1.565  -1.808
  165   HG21  ILE  25          1HG2      ILE  25   0.835   0.057   0.884
  166   HG22  ILE  25          2HG2      ILE  25   0.358   1.682   0.440
  167   HG23  ILE  25          3HG2      ILE  25  -0.817   0.585   1.216
  168   HD11  ILE  25          3HD1      ILE  25   0.517  -2.125   0.551
  169   HD12  ILE  25          1HD1      ILE  25  -0.316  -3.304  -0.458
  170   HD13  ILE  25          2HD1      ILE  25   0.943  -2.273  -1.174
  171    H    LYS  26           H        LYS  26  -2.202   2.536   0.567
  172    HA   LYS  26           HA       LYS  26  -4.572   1.113   1.378
  173    HB2  LYS  26           1HB      LYS  26  -3.518   3.896   1.970
  174    HB3  LYS  26           2HB      LYS  26  -5.061   3.320   2.619
  175    HG2  LYS  26           1HG      LYS  26  -4.018   1.447   3.734
  176    HG3  LYS  26           2HG      LYS  26  -2.450   1.794   2.990
  177    HD2  LYS  26           1HD      LYS  26  -2.314   3.934   4.181
  178    HD3  LYS  26           2HD      LYS  26  -3.910   3.657   4.918
  179    HE2  LYS  26           1HE      LYS  26  -3.101   1.705   6.115
  180    HE3  LYS  26           2HE      LYS  26  -1.574   1.726   5.218
  181    HZ1  LYS  26           3HZ      LYS  26  -1.314   2.703   7.421
  182    HZ2  LYS  26           1HZ      LYS  26  -2.418   3.870   7.087
  183    HZ3  LYS  26           2HZ      LYS  26  -1.002   3.797   6.245
  184    H    SER  27           H        SER  27  -4.238   3.942  -0.801
  185    HA   SER  27           HA       SER  27  -7.038   4.250  -1.321
  186    HB2  SER  27           1HB      SER  27  -4.673   4.785  -3.162
  187    HB3  SER  27           2HB      SER  27  -6.340   5.314  -3.439
  188    HG   SER  27           HG       SER  27  -4.585   6.068  -1.330
  189    H    HIS  28           H        HIS  28  -4.606   2.125  -2.932
  190    HA   HIS  28           HA       HIS  28  -6.427   0.960  -4.802
  191    HB2  HIS  28           1HB      HIS  28  -4.036   0.799  -5.086
  192    HB3  HIS  28           2HB      HIS  28  -3.843  -0.047  -3.559
  193    HD1  HIS  28           1HD      HIS  28  -5.681  -0.733  -6.923
  194    HD2  HIS  28           2HD      HIS  28  -3.723  -2.618  -3.713
  195    HE1  HIS  28           1HE      HIS  28  -5.613  -3.198  -7.512
  196    H    ILE  29           H        ILE  29  -5.455  -0.175  -1.532
  197    HA   ILE  29           HA       ILE  29  -7.122  -2.487  -1.474
  198    HB   ILE  29           HB       ILE  29  -6.011  -0.717   0.728
  199   HG12  ILE  29          1HG1      ILE  29  -5.276  -3.538  -0.206
  200   HG13  ILE  29          2HG1      ILE  29  -4.425  -2.076  -0.697
  201   HG21  ILE  29          1HG2      ILE  29  -7.534  -3.341   1.030
  202   HG22  ILE  29          2HG2      ILE  29  -6.625  -2.539   2.329
  203   HG23  ILE  29          3HG2      ILE  29  -8.036  -1.754   1.655
  204   HD11  ILE  29          3HD1      ILE  29  -3.141  -3.106   1.021
  205   HD12  ILE  29          1HD1      ILE  29  -3.846  -1.628   1.699
  206   HD13  ILE  29          2HD1      ILE  29  -4.523  -3.225   2.110
  207    H    LYS  30           H        LYS  30  -7.893   0.894  -0.529
  208    HA   LYS  30           HA       LYS  30 -10.567   0.281   0.382
  209    HB2  LYS  30           1HB      LYS  30  -9.173   2.855  -0.441
  210    HB3  LYS  30           2HB      LYS  30 -10.859   2.820   0.091
  211    HG2  LYS  30           1HG      LYS  30 -10.256   1.868   2.245
  212    HG3  LYS  30           2HG      LYS  30  -8.557   1.733   1.772
  213    HD2  LYS  30           1HD      LYS  30  -8.420   4.202   1.535
  214    HD3  LYS  30           2HD      LYS  30 -10.130   4.339   2.007
  215    HE2  LYS  30           1HE      LYS  30  -9.591   3.233   4.184
  216    HE3  LYS  30           2HE      LYS  30  -7.889   3.161   3.716
  217    HZ1  LYS  30           3HZ      LYS  30  -8.344   5.099   5.109
  218    HZ2  LYS  30           1HZ      LYS  30  -9.461   5.662   4.065
  219    HZ3  LYS  30           2HZ      LYS  30  -7.887   5.606   3.626
  220    H    THR  31           H        THR  31  -9.370   1.043  -2.877
  221    HA   THR  31           HA       THR  31 -12.096   1.326  -3.934
  222    HB   THR  31           HB       THR  31 -10.829   1.607  -6.085
  223    HG1  THR  31           1HG      THR  31  -8.563   1.990  -4.502
  224   HG21  THR  31          3HG2      THR  31 -11.564   3.567  -4.824
  225   HG22  THR  31          1HG2      THR  31  -9.970   3.859  -5.543
  226   HG23  THR  31          2HG2      THR  31 -10.112   3.496  -3.807
  227    H    ASN  32           H        ASN  32  -9.560  -1.157  -3.947
  228    HA   ASN  32           HA       ASN  32 -11.192  -2.816  -5.836
  229    HB2  ASN  32           1HB      ASN  32  -8.215  -2.768  -5.197
  230    HB3  ASN  32           2HB      ASN  32  -8.993  -3.995  -6.178
  231   HD21  ASN  32          1HD2      ASN  32  -8.531  -0.393  -6.072
  232   HD22  ASN  32          2HD2      ASN  32  -8.569  -0.265  -7.818
  233    H    HIS  33           H        HIS  33  -9.899  -2.892  -2.542
  234    HA   HIS  33           HA       HIS  33 -10.821  -5.711  -2.243
  235    HB2  HIS  33           1HB      HIS  33  -8.226  -4.588  -1.151
  236    HB3  HIS  33           2HB      HIS  33  -8.748  -6.262  -1.131
  237    HD1  HIS  33           1HD      HIS  33  -9.358  -6.853  -4.133
  238    HD2  HIS  33           2HD      HIS  33  -6.232  -4.427  -2.732
  239    HE1  HIS  33           1HE      HIS  33  -7.617  -6.846  -5.980
  240    HA   PRO  34           HA       PRO  34 -11.468  -2.747   1.525
  241    HB2  PRO  34           1HB      PRO  34 -14.079  -1.929   1.420
  242    HB3  PRO  34           2HB      PRO  34 -12.743  -1.089   0.574
  243    HG2  PRO  34           1HG      PRO  34 -14.664  -3.152  -0.567
  244    HG3  PRO  34           2HG      PRO  34 -14.248  -1.540  -1.240
  245    HD2  PRO  34           1HD      PRO  34 -12.999  -3.774  -2.119
  246    HD3  PRO  34           2HD      PRO  34 -12.091  -2.253  -1.866
  247    H    GLU  35           H        GLU  35 -13.624  -5.255   0.274
  248    HA   GLU  35           HA       GLU  35 -14.472  -6.076   2.994
  249    HB2  GLU  35           1HB      GLU  35 -16.007  -7.557   1.881
  250    HB3  GLU  35           2HB      GLU  35 -16.150  -5.930   1.224
  251    HG2  GLU  35           1HG      GLU  35 -14.778  -6.607  -0.751
  252    HG3  GLU  35           2HG      GLU  35 -14.646  -8.239  -0.093
  253    H    VAL  36           H        VAL  36 -11.712  -6.544   1.353
  254    HA   VAL  36           HA       VAL  36 -11.465  -9.476   1.873
  255    HB   VAL  36           HB       VAL  36  -9.717  -7.877   0.006
  256   HG11  VAL  36          1HG1      VAL  36  -9.425 -10.063  -1.102
  257   HG12  VAL  36          2HG1      VAL  36  -8.947 -10.139   0.595
  258   HG13  VAL  36          3HG1      VAL  36 -10.511 -10.816   0.087
  259   HG21  VAL  36          3HG2      VAL  36 -11.140  -8.615  -1.892
  260   HG22  VAL  36          1HG2      VAL  36 -12.357  -9.197  -0.734
  261   HG23  VAL  36          2HG2      VAL  36 -11.974  -7.464  -0.851
  262    H    SER  37           H        SER  37  -9.811  -6.389   2.266
  263    HA   SER  37           HA       SER  37  -7.522  -7.591   3.724
  264    HB2  SER  37           1HB      SER  37  -8.119  -4.730   2.910
  265    HB3  SER  37           2HB      SER  37  -6.660  -5.265   3.772
  266    HG   SER  37           HG       SER  37  -7.546  -6.329   1.273
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  17.129 -10.205   0.973
    2    H2   GLY   1           2H       GLY   1  18.707  -9.771   1.038
    3    H3   GLY   1           3H       GLY   1  18.186 -10.789  -0.133
    4    HA2  GLY   1           1HA      GLY   1  16.835  -9.069  -1.129
    5    HA3  GLY   1           2HA      GLY   1  17.375  -7.966   0.151
    6    H    SER   2           H        SER   2  17.696  -7.784  -2.805
    7    HA   SER   2           HA       SER   2  20.491  -8.308  -3.435
    8    HB2  SER   2           1HB      SER   2  19.909  -7.324  -5.598
    9    HB3  SER   2           2HB      SER   2  18.693  -8.512  -5.096
   10    HG   SER   2           HG       SER   2  17.690  -6.613  -5.854
   11    H    SER   3           H        SER   3  18.841  -5.602  -2.038
   12    HA   SER   3           HA       SER   3  19.278  -3.418  -1.699
   13    HB2  SER   3           1HB      SER   3  22.211  -4.181  -1.807
   14    HB3  SER   3           2HB      SER   3  21.529  -2.692  -1.134
   15    HG   SER   3           HG       SER   3  21.037  -5.354  -0.231
   16    H    GLY   4           H        GLY   4  18.970  -4.346  -4.493
   17    HA2  GLY   4           1HA      GLY   4  20.655  -2.785  -6.227
   18    HA3  GLY   4           2HA      GLY   4  19.166  -3.624  -6.659
   19    H    SER   5           H        SER   5  18.067  -1.695  -4.287
   20    HA   SER   5           HA       SER   5  17.871   0.849  -5.783
   21    HB2  SER   5           1HB      SER   5  15.415   0.868  -5.604
   22    HB3  SER   5           2HB      SER   5  16.001  -0.435  -6.643
   23    HG   SER   5           HG       SER   5  14.369  -1.156  -5.201
   24    H    SER   6           H        SER   6  16.976   2.601  -4.564
   25    HA   SER   6           HA       SER   6  17.546   2.457  -1.656
   26    HB2  SER   6           1HB      SER   6  17.675   4.913  -1.815
   27    HB3  SER   6           2HB      SER   6  18.810   4.094  -2.898
   28    HG   SER   6           HG       SER   6  17.700   5.816  -3.945
   29    H    GLY   7           H        GLY   7  16.202   3.842  -0.217
   30    HA2  GLY   7           1HA      GLY   7  14.187   4.515   0.713
   31    HA3  GLY   7           2HA      GLY   7  13.483   4.530  -0.901
   32    H    ARG   8           H        ARG   8  11.561   3.581  -0.351
   33    HA   ARG   8           HA       ARG   8  11.546   0.669   0.206
   34    HB2  ARG   8           1HB      ARG   8   9.811   0.870   1.911
   35    HB3  ARG   8           2HB      ARG   8  11.293   1.675   2.417
   36    HG2  ARG   8           1HG      ARG   8  10.331   3.883   1.947
   37    HG3  ARG   8           2HG      ARG   8   8.905   3.145   1.205
   38    HD2  ARG   8           1HD      ARG   8   8.301   3.883   3.388
   39    HD3  ARG   8           2HD      ARG   8   8.298   2.109   3.363
   40    HE   ARG   8           HE       ARG   8  10.841   3.086   4.291
   41   HH11  ARG   8          2HH1      ARG   8   7.536   2.767   5.409
   42   HH12  ARG   8          1HH1      ARG   8   8.009   2.726   7.088
   43   HH21  ARG   8          2HH2      ARG   8  11.380   3.015   6.455
   44   HH22  ARG   8          1HH2      ARG   8  10.135   2.862   7.657
   45    H    SER   9           H        SER   9   9.536  -0.374  -0.231
   46    HA   SER   9           HA       SER   9   7.481   1.066  -1.776
   47    HB2  SER   9           1HB      SER   9   7.465  -0.599  -3.576
   48    HB3  SER   9           2HB      SER   9   8.997   0.283  -3.518
   49    HG   SER   9           HG       SER   9   9.325  -1.974  -3.771
   50    H    TYR  10           H        TYR  10   5.579  -0.306  -2.183
   51    HA   TYR  10           HA       TYR  10   5.058  -2.365  -0.076
   52    HB2  TYR  10           1HB      TYR  10   3.153  -0.174  -0.984
   53    HB3  TYR  10           2HB      TYR  10   2.871  -1.371   0.269
   54    HD1  TYR  10           1HD      TYR  10   3.928  -1.159   2.498
   55    HD2  TYR  10           2HD      TYR  10   4.569   1.792  -0.583
   56    HE1  TYR  10           1HE      TYR  10   4.829   0.429   4.199
   57    HE2  TYR  10           2HE      TYR  10   5.501   3.360   1.113
   58    HH   TYR  10           HH       TYR  10   5.899   3.736   3.336
   59    H    SER  11           H        SER  11   3.446  -3.976  -0.687
   60    HA   SER  11           HA       SER  11   2.489  -3.875  -3.479
   61    HB2  SER  11           1HB      SER  11   3.064  -6.222  -3.887
   62    HB3  SER  11           2HB      SER  11   4.483  -5.183  -3.677
   63    HG   SER  11           HG       SER  11   4.685  -7.147  -2.508
   64    H    CYS  12           H        CYS  12   0.585  -4.798  -3.936
   65    HA   CYS  12           HA       CYS  12  -1.369  -4.727  -1.997
   66    HB2  CYS  12           1HB      CYS  12  -1.776  -4.345  -4.326
   67    HB3  CYS  12           2HB      CYS  12  -1.348  -6.016  -4.728
   68    HA   PRO  13           HA       PRO  13  -1.127  -8.824  -0.120
   69    HB2  PRO  13           1HB      PRO  13  -3.335  -8.742   1.492
   70    HB3  PRO  13           2HB      PRO  13  -1.859  -7.784   1.810
   71    HG2  PRO  13           1HG      PRO  13  -4.398  -6.870   0.419
   72    HG3  PRO  13           2HG      PRO  13  -3.519  -6.063   1.755
   73    HD2  PRO  13           1HD      PRO  13  -3.158  -5.357  -0.849
   74    HD3  PRO  13           2HD      PRO  13  -1.797  -5.350   0.310
   75    H    VAL  14           H        VAL  14  -3.552  -7.833  -2.358
   76    HA   VAL  14           HA       VAL  14  -4.767 -10.586  -2.441
   77    HB   VAL  14           HB       VAL  14  -5.992  -7.950  -3.286
   78   HG11  VAL  14          1HG1      VAL  14  -8.098  -9.279  -3.482
   79   HG12  VAL  14          2HG1      VAL  14  -6.890  -9.765  -4.669
   80   HG13  VAL  14          3HG1      VAL  14  -7.162 -10.766  -3.222
   81   HG21  VAL  14          3HG2      VAL  14  -6.571  -9.763  -0.904
   82   HG22  VAL  14          1HG2      VAL  14  -5.914  -8.112  -0.845
   83   HG23  VAL  14          2HG2      VAL  14  -7.565  -8.376  -1.401
   84    H    CYS  15           H        CYS  15  -3.452  -7.980  -4.522
   85    HA   CYS  15           HA       CYS  15  -3.335  -9.949  -6.750
   86    HB2  CYS  15           1HB      CYS  15  -4.144  -8.449  -8.301
   87    HB3  CYS  15           2HB      CYS  15  -5.324  -8.560  -7.000
   88    H    GLU  16           H        GLU  16  -1.407  -8.481  -4.860
   89    HA   GLU  16           HA       GLU  16   0.795  -8.040  -4.764
   90    HB2  GLU  16           1HB      GLU  16   0.904  -9.785  -7.236
   91    HB3  GLU  16           2HB      GLU  16   2.250  -9.423  -6.151
   92    HG2  GLU  16           1HG      GLU  16   0.999 -10.458  -4.259
   93    HG3  GLU  16           2HG      GLU  16  -0.285 -10.923  -5.378
   94    H    LYS  17           H        LYS  17  -0.778  -6.202  -6.813
   95    HA   LYS  17           HA       LYS  17   1.246  -5.020  -8.472
   96    HB2  LYS  17           1HB      LYS  17  -1.330  -3.909  -7.297
   97    HB3  LYS  17           2HB      LYS  17  -0.314  -2.999  -8.426
   98    HG2  LYS  17           1HG      LYS  17  -0.600  -4.623 -10.180
   99    HG3  LYS  17           2HG      LYS  17  -1.330  -5.776  -9.064
  100    HD2  LYS  17           1HD      LYS  17  -3.228  -4.076  -8.720
  101    HD3  LYS  17           2HD      LYS  17  -2.520  -3.147 -10.042
  102    HE2  LYS  17           1HE      LYS  17  -4.342  -4.517 -10.881
  103    HE3  LYS  17           2HE      LYS  17  -2.819  -5.083 -11.572
  104    HZ1  LYS  17           3HZ      LYS  17  -4.306  -6.890 -10.718
  105    HZ2  LYS  17           1HZ      LYS  17  -4.088  -6.330  -9.183
  106    HZ3  LYS  17           2HZ      LYS  17  -2.825  -6.914 -10.020
  107    H    SER  18           H        SER  18   2.541  -3.290  -8.239
  108    HA   SER  18           HA       SER  18   3.496  -2.828  -5.475
  109    HB2  SER  18           1HB      SER  18   4.844  -2.253  -8.125
  110    HB3  SER  18           2HB      SER  18   5.569  -2.058  -6.518
  111    HG   SER  18           HG       SER  18   6.093  -4.087  -7.496
  112    H    PHE  19           H        PHE  19   3.858  -0.904  -4.517
  113    HA   PHE  19           HA       PHE  19   3.043   1.642  -5.839
  114    HB2  PHE  19           1HB      PHE  19   2.111   0.659  -3.115
  115    HB3  PHE  19           2HB      PHE  19   1.757   2.231  -3.817
  116    HD1  PHE  19           2HD      PHE  19   0.279   2.408  -5.854
  117    HD2  PHE  19           1HD      PHE  19   0.852  -1.319  -3.758
  118    HE1  PHE  19           2HE      PHE  19  -1.680   1.439  -7.034
  119    HE2  PHE  19           1HE      PHE  19  -1.100  -2.282  -4.945
  120    HZ   PHE  19           HZ       PHE  19  -2.350  -0.917  -6.607
  121    H    SER  20           H        SER  20   4.111   3.470  -5.127
  122    HA   SER  20           HA       SER  20   6.630   3.028  -3.703
  123    HB2  SER  20           1HB      SER  20   5.487   5.559  -4.929
  124    HB3  SER  20           2HB      SER  20   7.163   5.296  -4.406
  125    HG   SER  20           HG       SER  20   6.899   4.967  -6.669
  126    H    GLU  21           H        GLU  21   3.523   4.078  -2.666
  127    HA   GLU  21           HA       GLU  21   4.626   5.278  -0.173
  128    HB2  GLU  21           1HB      GLU  21   2.532   6.572  -1.954
  129    HB3  GLU  21           2HB      GLU  21   2.964   7.105  -0.331
  130    HG2  GLU  21           1HG      GLU  21   5.265   7.600  -1.077
  131    HG3  GLU  21           2HG      GLU  21   4.869   7.046  -2.711
  132    H    ASP  22           H        ASP  22   3.326   5.148   1.627
  133    HA   ASP  22           HA       ASP  22   1.663   2.891   1.936
  134    HB2  ASP  22           1HB      ASP  22   2.969   3.940   3.714
  135    HB3  ASP  22           2HB      ASP  22   2.013   5.417   3.598
  136    H    ARG  23           H        ARG  23   0.754   6.304   1.413
  137    HA   ARG  23           HA       ARG  23  -2.097   5.907   1.653
  138    HB2  ARG  23           1HB      ARG  23  -2.302   8.130   0.648
  139    HB3  ARG  23           2HB      ARG  23  -1.132   8.098   1.965
  140    HG2  ARG  23           1HG      ARG  23   0.735   8.081   0.349
  141    HG3  ARG  23           2HG      ARG  23  -0.411   8.050  -1.006
  142    HD2  ARG  23           1HD      ARG  23  -1.284  10.229  -0.393
  143    HD3  ARG  23           2HD      ARG  23  -0.288  10.264   1.078
  144    HE   ARG  23           HE       ARG  23   1.653   9.952  -0.764
  145   HH11  ARG  23          2HH1      ARG  23  -0.957  12.315  -0.839
  146   HH12  ARG  23          1HH1      ARG  23   0.000  13.408  -1.805
  147   HH21  ARG  23          1HH2      ARG  23   2.716  11.254  -1.905
  148   HH22  ARG  23          2HH2      ARG  23   2.094  12.827  -2.417
  149    H    LEU  24           H        LEU  24   0.069   5.302  -1.038
  150    HA   LEU  24           HA       LEU  24  -2.084   5.313  -3.041
  151    HB2  LEU  24           1HB      LEU  24   0.809   4.383  -3.171
  152    HB3  LEU  24           2HB      LEU  24  -0.304   4.377  -4.533
  153    HG   LEU  24           HG       LEU  24   0.559   6.882  -3.026
  154   HD11  LEU  24          1HD1      LEU  24   2.403   5.820  -4.305
  155   HD12  LEU  24          2HD1      LEU  24   1.901   7.357  -5.024
  156   HD13  LEU  24          3HD1      LEU  24   1.386   5.824  -5.763
  157   HD21  LEU  24          3HD2      LEU  24  -0.408   8.078  -4.978
  158   HD22  LEU  24          1HD2      LEU  24  -1.637   7.217  -4.052
  159   HD23  LEU  24          2HD2      LEU  24  -1.052   6.539  -5.590
  160    H    ILE  25           H        ILE  25  -0.203   2.757  -1.316
  161    HA   ILE  25           HA       ILE  25  -1.790   0.644  -2.491
  162    HB   ILE  25           HB       ILE  25   0.406   0.177  -1.580
  163   HG12  ILE  25          1HG1      ILE  25  -1.792  -1.360  -0.133
  164   HG13  ILE  25          2HG1      ILE  25  -1.386  -1.556  -1.841
  165   HG21  ILE  25          1HG2      ILE  25   0.855   0.025   0.816
  166   HG22  ILE  25          2HG2      ILE  25   0.365   1.659   0.410
  167   HG23  ILE  25          3HG2      ILE  25  -0.793   0.553   1.198
  168   HD11  ILE  25          3HD1      ILE  25   0.891  -2.294  -1.212
  169   HD12  ILE  25          1HD1      ILE  25   0.449  -2.167   0.511
  170   HD13  ILE  25          2HD1      ILE  25  -0.391  -3.318  -0.526
  171    H    LYS  26           H        LYS  26  -2.205   2.537   0.564
  172    HA   LYS  26           HA       LYS  26  -4.572   1.125   1.395
  173    HB2  LYS  26           1HB      LYS  26  -3.523   3.921   1.947
  174    HB3  LYS  26           2HB      LYS  26  -5.061   3.347   2.610
  175    HG2  LYS  26           1HG      LYS  26  -4.003   1.493   3.745
  176    HG3  LYS  26           2HG      LYS  26  -2.439   1.841   2.992
  177    HD2  LYS  26           1HD      LYS  26  -2.311   3.995   4.153
  178    HD3  LYS  26           2HD      LYS  26  -3.903   3.726   4.895
  179    HE2  LYS  26           1HE      LYS  26  -3.092   1.794   6.121
  180    HE3  LYS  26           2HE      LYS  26  -1.564   1.805   5.226
  181    HZ1  LYS  26           3HZ      LYS  26  -0.998   3.894   6.220
  182    HZ2  LYS  26           1HZ      LYS  26  -1.307   2.818   7.413
  183    HZ3  LYS  26           2HZ      LYS  26  -2.414   3.977   7.060
  184    H    SER  27           H        SER  27  -4.254   3.954  -0.794
  185    HA   SER  27           HA       SER  27  -7.056   4.241  -1.314
  186    HB2  SER  27           1HB      SER  27  -4.695   4.792  -3.159
  187    HB3  SER  27           2HB      SER  27  -6.368   5.309  -3.432
  188    HG   SER  27           HG       SER  27  -4.601   6.083  -1.348
  189    H    HIS  28           H        HIS  28  -4.608   2.131  -2.931
  190    HA   HIS  28           HA       HIS  28  -6.424   0.979  -4.810
  191    HB2  HIS  28           1HB      HIS  28  -4.030   0.794  -5.088
  192    HB3  HIS  28           2HB      HIS  28  -3.851  -0.064  -3.565
  193    HD1  HIS  28           1HD      HIS  28  -5.624  -0.696  -6.968
  194    HD2  HIS  28           2HD      HIS  28  -3.864  -2.653  -3.689
  195    HE1  HIS  28           1HE      HIS  28  -5.649  -3.162  -7.549
  196    H    ILE  29           H        ILE  29  -5.463  -0.210  -1.550
  197    HA   ILE  29           HA       ILE  29  -7.144  -2.513  -1.560
  198    HB   ILE  29           HB       ILE  29  -6.070  -0.819   0.723
  199   HG12  ILE  29          1HG1      ILE  29  -5.243  -3.570  -0.343
  200   HG13  ILE  29          2HG1      ILE  29  -4.419  -2.071  -0.743
  201   HG21  ILE  29          1HG2      ILE  29  -8.087  -1.982   1.542
  202   HG22  ILE  29          2HG2      ILE  29  -7.503  -3.507   0.845
  203   HG23  ILE  29          3HG2      ILE  29  -6.664  -2.745   2.214
  204   HD11  ILE  29          3HD1      ILE  29  -3.895  -1.726   1.682
  205   HD12  ILE  29          1HD1      ILE  29  -4.540  -3.358   2.002
  206   HD13  ILE  29          2HD1      ILE  29  -3.142  -3.152   0.944
  207    H    LYS  30           H        LYS  30  -7.894   0.849  -0.529
  208    HA   LYS  30           HA       LYS  30 -10.566   0.240   0.373
  209    HB2  LYS  30           1HB      LYS  30  -9.164   2.817  -0.428
  210    HB3  LYS  30           2HB      LYS  30 -10.847   2.784   0.113
  211    HG2  LYS  30           1HG      LYS  30 -10.243   1.814   2.253
  212    HG3  LYS  30           2HG      LYS  30  -8.548   1.660   1.771
  213    HD2  LYS  30           1HD      LYS  30  -8.377   4.130   1.559
  214    HD3  LYS  30           2HD      LYS  30 -10.083   4.283   2.043
  215    HE2  LYS  30           1HE      LYS  30  -9.542   3.139   4.201
  216    HE3  LYS  30           2HE      LYS  30  -7.844   3.055   3.720
  217    HZ1  LYS  30           3HZ      LYS  30  -8.269   4.980   5.144
  218    HZ2  LYS  30           1HZ      LYS  30  -9.387   5.569   4.116
  219    HZ3  LYS  30           2HZ      LYS  30  -7.818   5.503   3.664
  220    H    THR  31           H        THR  31  -9.382   1.087  -2.877
  221    HA   THR  31           HA       THR  31 -12.110   1.373  -3.919
  222    HB   THR  31           HB       THR  31 -10.863   1.728  -6.063
  223    HG1  THR  31           1HG      THR  31  -8.574   2.035  -4.493
  224   HG21  THR  31          3HG2      THR  31 -10.104   3.541  -3.734
  225   HG22  THR  31          1HG2      THR  31 -11.568   3.650  -4.731
  226   HG23  THR  31          2HG2      THR  31  -9.983   3.956  -5.460
  227    H    ASN  32           H        ASN  32  -9.539  -1.075  -4.045
  228    HA   ASN  32           HA       ASN  32 -11.139  -2.672  -6.004
  229    HB2  ASN  32           1HB      ASN  32  -8.181  -2.668  -5.281
  230    HB3  ASN  32           2HB      ASN  32  -8.939  -3.875  -6.298
  231   HD21  ASN  32          1HD2      ASN  32  -8.538  -0.259  -6.129
  232   HD22  ASN  32          2HD2      ASN  32  -8.501  -0.116  -7.875
  233    H    HIS  33           H        HIS  33  -9.959  -2.870  -2.665
  234    HA   HIS  33           HA       HIS  33 -11.055  -5.641  -2.466
  235    HB2  HIS  33           1HB      HIS  33  -8.424  -4.781  -1.232
  236    HB3  HIS  33           2HB      HIS  33  -9.103  -6.403  -1.340
  237    HD1  HIS  33           1HD      HIS  33  -9.488  -6.946  -4.314
  238    HD2  HIS  33           2HD      HIS  33  -6.450  -4.479  -2.797
  239    HE1  HIS  33           1HE      HIS  33  -7.703  -6.868  -6.117
  240    HA   PRO  34           HA       PRO  34 -12.425  -2.443   0.738
  241    HB2  PRO  34           1HB      PRO  34 -15.036  -3.877   0.277
  242    HB3  PRO  34           2HB      PRO  34 -14.756  -2.135   0.611
  243    HG2  PRO  34           1HG      PRO  34 -15.236  -2.929  -1.918
  244    HG3  PRO  34           2HG      PRO  34 -13.865  -1.805  -1.614
  245    HD2  PRO  34           1HD      PRO  34 -13.785  -4.822  -1.951
  246    HD3  PRO  34           2HD      PRO  34 -12.789  -3.569  -2.732
  247    H    GLU  35           H        GLU  35 -13.153  -5.926   0.690
  248    HA   GLU  35           HA       GLU  35 -13.945  -6.161   3.445
  249    HB2  GLU  35           1HB      GLU  35 -13.816  -8.547   3.074
  250    HB3  GLU  35           2HB      GLU  35 -14.593  -7.755   1.706
  251    HG2  GLU  35           1HG      GLU  35 -12.448  -7.898   0.420
  252    HG3  GLU  35           2HG      GLU  35 -11.695  -8.716   1.790
  253    H    VAL  36           H        VAL  36 -10.890  -5.540   2.190
  254    HA   VAL  36           HA       VAL  36  -9.330  -7.016   4.216
  255    HB   VAL  36           HB       VAL  36  -8.410  -5.194   1.973
  256   HG11  VAL  36          1HG1      VAL  36  -6.308  -6.510   2.097
  257   HG12  VAL  36          2HG1      VAL  36  -6.616  -5.612   3.578
  258   HG13  VAL  36          3HG1      VAL  36  -6.940  -7.362   3.526
  259   HG21  VAL  36          3HG2      VAL  36  -8.836  -8.212   1.952
  260   HG22  VAL  36          1HG2      VAL  36  -9.720  -7.015   0.978
  261   HG23  VAL  36          2HG2      VAL  36  -8.004  -7.282   0.685
  262    H    SER  37           H        SER  37 -10.575  -3.805   3.718
  263    HA   SER  37           HA       SER  37  -8.747  -2.204   5.186
  264    HB2  SER  37           1HB      SER  37 -11.737  -1.870   4.753
  265    HB3  SER  37           2HB      SER  37 -10.631  -0.611   5.340
  266    HG   SER  37           HG       SER  37 -10.982  -0.536   3.032
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  10.139  -7.190 -17.647
    2    H2   GLY   1           2H       GLY   1   8.853  -6.476 -18.365
    3    H3   GLY   1           3H       GLY   1   8.757  -8.040 -17.882
    4    HA2  GLY   1           1HA      GLY   1   7.546  -6.649 -16.346
    5    HA3  GLY   1           2HA      GLY   1   8.947  -7.410 -15.569
    6    H    SER   2           H        SER   2   8.546  -5.577 -14.039
    7    HA   SER   2           HA       SER   2  10.368  -3.341 -14.633
    8    HB2  SER   2           1HB      SER   2   8.063  -2.590 -15.345
    9    HB3  SER   2           2HB      SER   2   7.535  -2.796 -13.664
   10    HG   SER   2           HG       SER   2   8.210  -0.634 -14.169
   11    H    SER   3           H        SER   3  10.970  -2.150 -12.720
   12    HA   SER   3           HA       SER   3  10.513  -3.467 -10.085
   13    HB2  SER   3           1HB      SER   3  13.254  -2.865 -11.267
   14    HB3  SER   3           2HB      SER   3  12.936  -3.387  -9.603
   15    HG   SER   3           HG       SER   3  13.528  -5.135 -10.985
   16    H    GLY   4           H        GLY   4  10.691  -2.109  -8.313
   17    HA2  GLY   4           1HA      GLY   4  10.338   0.731  -8.732
   18    HA3  GLY   4           2HA      GLY   4  10.463  -0.096  -7.181
   19    H    SER   5           H        SER   5  11.731   2.417  -8.492
   20    HA   SER   5           HA       SER   5  14.620   1.890  -8.228
   21    HB2  SER   5           1HB      SER   5  14.813   4.255  -8.954
   22    HB3  SER   5           2HB      SER   5  13.896   3.236 -10.078
   23    HG   SER   5           HG       SER   5  12.859   5.257  -9.680
   24    H    SER   6           H        SER   6  12.071   3.195  -6.233
   25    HA   SER   6           HA       SER   6  13.715   4.759  -4.452
   26    HB2  SER   6           1HB      SER   6  10.942   3.575  -4.052
   27    HB3  SER   6           2HB      SER   6  11.707   4.798  -3.019
   28    HG   SER   6           HG       SER   6  10.339   5.760  -4.579
   29    H    GLY   7           H        GLY   7  14.222   4.362  -2.245
   30    HA2  GLY   7           1HA      GLY   7  15.284   1.764  -1.627
   31    HA3  GLY   7           2HA      GLY   7  15.196   3.157  -0.548
   32    H    ARG   8           H        ARG   8  12.094   2.885  -1.282
   33    HA   ARG   8           HA       ARG   8  11.340   0.548   0.369
   34    HB2  ARG   8           1HB      ARG   8   9.729   1.841   1.679
   35    HB3  ARG   8           2HB      ARG   8  11.382   2.387   1.955
   36    HG2  ARG   8           1HG      ARG   8  10.965   4.299   0.353
   37    HG3  ARG   8           2HG      ARG   8   9.272   3.783   0.247
   38    HD2  ARG   8           1HD      ARG   8   9.007   4.149   2.683
   39    HD3  ARG   8           2HD      ARG   8  10.716   4.570   2.814
   40    HE   ARG   8           HE       ARG   8  10.335   6.651   1.832
   41   HH11  ARG   8          2HH1      ARG   8   7.237   4.910   1.814
   42   HH12  ARG   8          1HH1      ARG   8   6.472   6.314   1.042
   43   HH21  ARG   8          2HH2      ARG   8   9.088   8.350   0.980
   44   HH22  ARG   8          1HH2      ARG   8   7.373   8.037   0.697
   45    H    SER   9           H        SER   9   9.396  -0.365  -0.122
   46    HA   SER   9           HA       SER   9   7.655   0.718  -2.237
   47    HB2  SER   9           1HB      SER   9   9.522  -0.473  -3.424
   48    HB3  SER   9           2HB      SER   9   9.068  -1.959  -2.571
   49    HG   SER   9           HG       SER   9   8.114  -1.788  -4.666
   50    H    TYR  10           H        TYR  10   5.659  -0.435  -2.408
   51    HA   TYR  10           HA       TYR  10   4.972  -2.260  -0.133
   52    HB2  TYR  10           1HB      TYR  10   3.192  -0.015  -1.129
   53    HB3  TYR  10           2HB      TYR  10   2.969  -1.035   0.284
   54    HD1  TYR  10           1HD      TYR  10   4.229  -0.586   2.377
   55    HD2  TYR  10           2HD      TYR  10   4.770   1.856  -1.135
   56    HE1  TYR  10           1HE      TYR  10   5.445   1.107   3.739
   57    HE2  TYR  10           2HE      TYR  10   6.032   3.521   0.217
   58    HH   TYR  10           HH       TYR  10   6.565   3.105   3.731
   59    H    SER  11           H        SER  11   3.611  -3.966  -0.683
   60    HA   SER  11           HA       SER  11   2.584  -4.064  -3.497
   61    HB2  SER  11           1HB      SER  11   3.914  -6.310  -1.960
   62    HB3  SER  11           2HB      SER  11   3.137  -6.451  -3.550
   63    HG   SER  11           HG       SER  11   5.424  -6.134  -3.689
   64    H    CYS  12           H        CYS  12   0.594  -4.735  -3.829
   65    HA   CYS  12           HA       CYS  12  -1.341  -4.604  -1.896
   66    HB2  CYS  12           1HB      CYS  12  -1.717  -4.244  -4.230
   67    HB3  CYS  12           2HB      CYS  12  -1.347  -5.932  -4.609
   68    HA   PRO  13           HA       PRO  13  -1.251  -8.666   0.057
   69    HB2  PRO  13           1HB      PRO  13  -3.504  -8.503   1.612
   70    HB3  PRO  13           2HB      PRO  13  -2.002  -7.595   1.956
   71    HG2  PRO  13           1HG      PRO  13  -4.480  -6.603   0.509
   72    HG3  PRO  13           2HG      PRO  13  -3.588  -5.814   1.847
   73    HD2  PRO  13           1HD      PRO  13  -3.166  -5.156  -0.762
   74    HD3  PRO  13           2HD      PRO  13  -1.823  -5.181   0.420
   75    H    VAL  14           H        VAL  14  -3.605  -7.667  -2.255
   76    HA   VAL  14           HA       VAL  14  -4.871 -10.397  -2.301
   77    HB   VAL  14           HB       VAL  14  -6.078  -7.731  -3.072
   78   HG11  VAL  14          1HG1      VAL  14  -7.296 -10.528  -3.059
   79   HG12  VAL  14          2HG1      VAL  14  -8.213  -9.018  -3.243
   80   HG13  VAL  14          3HG1      VAL  14  -7.049  -9.486  -4.480
   81   HG21  VAL  14          3HG2      VAL  14  -6.614  -9.612  -0.728
   82   HG22  VAL  14          1HG2      VAL  14  -5.936  -7.973  -0.637
   83   HG23  VAL  14          2HG2      VAL  14  -7.607  -8.201  -1.142
   84    H    CYS  15           H        CYS  15  -3.421  -7.897  -4.404
   85    HA   CYS  15           HA       CYS  15  -3.357  -9.943  -6.571
   86    HB2  CYS  15           1HB      CYS  15  -3.886  -8.375  -8.235
   87    HB3  CYS  15           2HB      CYS  15  -5.187  -8.421  -7.047
   88    H    GLU  16           H        GLU  16  -1.421  -8.331  -4.618
   89    HA   GLU  16           HA       GLU  16   0.777  -7.896  -4.478
   90    HB2  GLU  16           1HB      GLU  16   1.037  -9.878  -6.749
   91    HB3  GLU  16           2HB      GLU  16   2.320  -9.365  -5.654
   92    HG2  GLU  16           1HG      GLU  16   1.023 -10.242  -3.717
   93    HG3  GLU  16           2HG      GLU  16  -0.207 -10.852  -4.830
   94    H    LYS  17           H        LYS  17  -0.775  -6.332  -6.777
   95    HA   LYS  17           HA       LYS  17   1.318  -5.168  -8.371
   96    HB2  LYS  17           1HB      LYS  17  -1.402  -4.146  -7.477
   97    HB3  LYS  17           2HB      LYS  17  -0.322  -3.194  -8.506
   98    HG2  LYS  17           1HG      LYS  17  -0.284  -4.916 -10.217
   99    HG3  LYS  17           2HG      LYS  17  -1.199  -6.019  -9.187
  100    HD2  LYS  17           1HD      LYS  17  -3.131  -4.418  -9.237
  101    HD3  LYS  17           2HD      LYS  17  -2.206  -3.380 -10.346
  102    HE2  LYS  17           1HE      LYS  17  -2.058  -5.256 -11.969
  103    HE3  LYS  17           2HE      LYS  17  -2.951  -6.298 -10.853
  104    HZ1  LYS  17           3HZ      LYS  17  -4.412  -5.346 -12.542
  105    HZ2  LYS  17           1HZ      LYS  17  -4.034  -3.824 -12.095
  106    HZ3  LYS  17           2HZ      LYS  17  -4.854  -4.803 -11.070
  107    H    SER  18           H        SER  18   2.519  -3.369  -8.157
  108    HA   SER  18           HA       SER  18   3.257  -2.771  -5.357
  109    HB2  SER  18           1HB      SER  18   5.464  -2.175  -6.269
  110    HB3  SER  18           2HB      SER  18   4.967  -3.844  -6.588
  111    HG   SER  18           HG       SER  18   5.862  -2.842  -8.453
  112    H    PHE  19           H        PHE  19   3.817  -0.822  -4.567
  113    HA   PHE  19           HA       PHE  19   3.072   1.677  -6.008
  114    HB2  PHE  19           1HB      PHE  19   2.136   0.838  -3.232
  115    HB3  PHE  19           2HB      PHE  19   1.821   2.388  -3.997
  116    HD1  PHE  19           2HD      PHE  19   0.262   2.567  -5.936
  117    HD2  PHE  19           1HD      PHE  19   0.873  -1.167  -3.863
  118    HE1  PHE  19           2HE      PHE  19  -1.739   1.614  -7.057
  119    HE2  PHE  19           1HE      PHE  19  -1.118  -2.119  -4.996
  120    HZ   PHE  19           HZ       PHE  19  -2.408  -0.739  -6.617
  121    H    SER  20           H        SER  20   4.100   3.554  -5.254
  122    HA   SER  20           HA       SER  20   6.662   3.128  -3.886
  123    HB2  SER  20           1HB      SER  20   7.083   5.464  -4.634
  124    HB3  SER  20           2HB      SER  20   6.660   4.354  -5.948
  125    HG   SER  20           HG       SER  20   5.513   6.346  -6.090
  126    H    GLU  21           H        GLU  21   3.555   4.205  -2.881
  127    HA   GLU  21           HA       GLU  21   4.655   5.420  -0.391
  128    HB2  GLU  21           1HB      GLU  21   2.611   6.611  -2.284
  129    HB3  GLU  21           2HB      GLU  21   2.775   7.149  -0.624
  130    HG2  GLU  21           1HG      GLU  21   5.142   7.233  -2.537
  131    HG3  GLU  21           2HG      GLU  21   3.922   8.489  -2.498
  132    H    ASP  22           H        ASP  22   3.454   5.207   1.427
  133    HA   ASP  22           HA       ASP  22   1.824   2.943   1.775
  134    HB2  ASP  22           1HB      ASP  22   3.200   3.973   3.503
  135    HB3  ASP  22           2HB      ASP  22   2.233   5.446   3.454
  136    H    ARG  23           H        ARG  23   0.834   6.345   1.305
  137    HA   ARG  23           HA       ARG  23  -1.992   5.870   1.718
  138    HB2  ARG  23           1HB      ARG  23  -2.335   8.108   0.871
  139    HB3  ARG  23           2HB      ARG  23  -0.987   8.075   2.006
  140    HG2  ARG  23           1HG      ARG  23   0.595   8.034   0.038
  141    HG3  ARG  23           2HG      ARG  23  -0.794   8.226  -1.041
  142    HD2  ARG  23           1HD      ARG  23  -1.345  10.378  -0.052
  143    HD3  ARG  23           2HD      ARG  23  -0.112  10.189   1.196
  144    HE   ARG  23           HE       ARG  23   0.291  11.004  -1.586
  145   HH11  ARG  23          2HH1      ARG  23   1.998   9.770   1.255
  146   HH12  ARG  23          1HH1      ARG  23   3.553  10.000   0.452
  147   HH21  ARG  23          2HH2      ARG  23   2.394  11.339  -2.393
  148   HH22  ARG  23          1HH2      ARG  23   3.745  10.790  -1.405
  149    H    LEU  24           H        LEU  24   0.036   5.393  -1.098
  150    HA   LEU  24           HA       LEU  24  -2.210   5.368  -2.988
  151    HB2  LEU  24           1HB      LEU  24   0.685   4.487  -3.295
  152    HB3  LEU  24           2HB      LEU  24  -0.503   4.531  -4.592
  153    HG   LEU  24           HG       LEU  24   0.483   6.962  -3.040
  154   HD11  LEU  24          1HD1      LEU  24   1.626   7.541  -5.131
  155   HD12  LEU  24          2HD1      LEU  24   1.013   6.062  -5.906
  156   HD13  LEU  24          3HD1      LEU  24   2.173   5.956  -4.565
  157   HD21  LEU  24          3HD2      LEU  24  -1.796   7.374  -3.814
  158   HD22  LEU  24          1HD2      LEU  24  -1.388   6.764  -5.436
  159   HD23  LEU  24          2HD2      LEU  24  -0.660   8.266  -4.825
  160    H    ILE  25           H        ILE  25  -0.202   2.840  -1.376
  161    HA   ILE  25           HA       ILE  25  -1.778   0.697  -2.503
  162    HB   ILE  25           HB       ILE  25   0.453   0.272  -1.670
  163   HG12  ILE  25          1HG1      ILE  25  -1.651  -1.298  -0.122
  164   HG13  ILE  25          2HG1      ILE  25  -1.319  -1.500  -1.846
  165   HG21  ILE  25          1HG2      ILE  25   0.980   0.140   0.719
  166   HG22  ILE  25          2HG2      ILE  25   0.468   1.762   0.303
  167   HG23  ILE  25          3HG2      ILE  25  -0.656   0.659   1.144
  168   HD11  ILE  25          3HD1      ILE  25   0.645  -2.045   0.420
  169   HD12  ILE  25          1HD1      ILE  25  -0.234  -3.229  -0.543
  170   HD13  ILE  25          2HD1      ILE  25   0.987  -2.198  -1.325
  171    H    LYS  26           H        LYS  26  -2.134   2.557   0.581
  172    HA   LYS  26           HA       LYS  26  -4.425   1.071   1.491
  173    HB2  LYS  26           1HB      LYS  26  -3.428   3.887   2.028
  174    HB3  LYS  26           2HB      LYS  26  -4.917   3.265   2.755
  175    HG2  LYS  26           1HG      LYS  26  -3.761   1.435   3.826
  176    HG3  LYS  26           2HG      LYS  26  -2.245   1.820   2.998
  177    HD2  LYS  26           1HD      LYS  26  -2.103   3.970   4.166
  178    HD3  LYS  26           2HD      LYS  26  -3.652   3.662   4.985
  179    HE2  LYS  26           1HE      LYS  26  -2.739   1.742   6.157
  180    HE3  LYS  26           2HE      LYS  26  -1.259   1.790   5.185
  181    HZ1  LYS  26           3HZ      LYS  26  -0.918   2.795   7.366
  182    HZ2  LYS  26           1HZ      LYS  26  -2.057   3.937   7.068
  183    HZ3  LYS  26           2HZ      LYS  26  -0.680   3.879   6.164
  184    H    SER  27           H        SER  27  -4.282   3.968  -0.620
  185    HA   SER  27           HA       SER  27  -7.080   4.202  -1.075
  186    HB2  SER  27           1HB      SER  27  -5.388   5.868  -1.767
  187    HB3  SER  27           2HB      SER  27  -4.804   4.754  -3.019
  188    HG   SER  27           HG       SER  27  -6.348   6.300  -3.800
  189    H    HIS  28           H        HIS  28  -4.648   2.211  -2.876
  190    HA   HIS  28           HA       HIS  28  -6.482   1.005  -4.672
  191    HB2  HIS  28           1HB      HIS  28  -4.095   0.915  -5.020
  192    HB3  HIS  28           2HB      HIS  28  -3.843   0.032  -3.521
  193    HD1  HIS  28           1HD      HIS  28  -5.668  -0.591  -6.897
  194    HD2  HIS  28           2HD      HIS  28  -3.745  -2.547  -3.708
  195    HE1  HIS  28           1HE      HIS  28  -5.575  -3.039  -7.549
  196    H    ILE  29           H        ILE  29  -5.389  -0.218  -1.469
  197    HA   ILE  29           HA       ILE  29  -6.936  -2.598  -1.431
  198    HB   ILE  29           HB       ILE  29  -5.925  -0.786   0.789
  199   HG12  ILE  29          1HG1      ILE  29  -5.036  -3.569  -0.125
  200   HG13  ILE  29          2HG1      ILE  29  -4.276  -2.075  -0.661
  201   HG21  ILE  29          1HG2      ILE  29  -6.431  -2.644   2.384
  202   HG22  ILE  29          2HG2      ILE  29  -7.889  -1.954   1.709
  203   HG23  ILE  29          3HG2      ILE  29  -7.279  -3.500   1.079
  204   HD11  ILE  29          3HD1      ILE  29  -4.285  -3.144   2.182
  205   HD12  ILE  29          1HD1      ILE  29  -2.921  -2.988   1.074
  206   HD13  ILE  29          2HD1      ILE  29  -3.697  -1.528   1.713
  207    H    LYS  30           H        LYS  30  -7.885   0.708  -0.390
  208    HA   LYS  30           HA       LYS  30 -10.519  -0.191   0.487
  209    HB2  LYS  30           1HB      LYS  30  -9.331   2.579   0.077
  210    HB3  LYS  30           2HB      LYS  30 -10.920   2.289   0.782
  211    HG2  LYS  30           1HG      LYS  30  -8.332   1.175   1.958
  212    HG3  LYS  30           2HG      LYS  30  -9.069   2.701   2.440
  213    HD2  LYS  30           1HD      LYS  30 -11.080   1.537   3.225
  214    HD3  LYS  30           2HD      LYS  30 -10.428  -0.023   2.679
  215    HE2  LYS  30           1HE      LYS  30  -8.523   0.180   4.197
  216    HE3  LYS  30           2HE      LYS  30  -9.060   1.783   4.717
  217    HZ1  LYS  30           3HZ      LYS  30 -11.007   0.775   5.709
  218    HZ2  LYS  30           1HZ      LYS  30  -9.694  -0.058   6.237
  219    HZ3  LYS  30           2HZ      LYS  30 -10.650  -0.705   5.097
  220    H    THR  31           H        THR  31  -9.378   1.038  -2.626
  221    HA   THR  31           HA       THR  31 -12.116   1.415  -3.616
  222    HB   THR  31           HB       THR  31 -10.903   1.901  -5.744
  223    HG1  THR  31           1HG      THR  31  -8.585   2.049  -4.197
  224   HG21  THR  31          3HG2      THR  31 -11.552   3.745  -4.294
  225   HG22  THR  31          1HG2      THR  31  -9.967   4.071  -5.019
  226   HG23  THR  31          2HG2      THR  31 -10.080   3.549  -3.322
  227    H    ASN  32           H        ASN  32  -9.504  -0.968  -4.032
  228    HA   ASN  32           HA       ASN  32 -11.148  -2.444  -6.041
  229    HB2  ASN  32           1HB      ASN  32  -8.183  -2.491  -5.346
  230    HB3  ASN  32           2HB      ASN  32  -8.949  -3.644  -6.419
  231   HD21  ASN  32          1HD2      ASN  32  -8.605  -0.026  -6.067
  232   HD22  ASN  32          2HD2      ASN  32  -8.548   0.196  -7.805
  233    H    HIS  33           H        HIS  33  -9.914  -2.854  -2.749
  234    HA   HIS  33           HA       HIS  33 -11.024  -5.622  -2.693
  235    HB2  HIS  33           1HB      HIS  33  -8.398  -4.829  -1.413
  236    HB3  HIS  33           2HB      HIS  33  -9.064  -6.445  -1.620
  237    HD1  HIS  33           1HD      HIS  33  -9.422  -6.829  -4.622
  238    HD2  HIS  33           2HD      HIS  33  -6.407  -4.454  -2.920
  239    HE1  HIS  33           1HE      HIS  33  -7.579  -6.705  -6.367
  240    HA   PRO  34           HA       PRO  34 -11.796  -2.746   1.114
  241    HB2  PRO  34           1HB      PRO  34 -14.542  -2.433   1.038
  242    HB3  PRO  34           2HB      PRO  34 -13.365  -1.334   0.261
  243    HG2  PRO  34           1HG      PRO  34 -14.884  -3.645  -0.998
  244    HG3  PRO  34           2HG      PRO  34 -14.709  -1.968  -1.617
  245    HD2  PRO  34           1HD      PRO  34 -13.121  -3.939  -2.542
  246    HD3  PRO  34           2HD      PRO  34 -12.433  -2.322  -2.186
  247    H    GLU  35           H        GLU  35 -13.311  -5.714   0.030
  248    HA   GLU  35           HA       GLU  35 -14.406  -6.614   2.518
  249    HB2  GLU  35           1HB      GLU  35 -14.372  -8.818   1.512
  250    HB3  GLU  35           2HB      GLU  35 -14.956  -7.617   0.363
  251    HG2  GLU  35           1HG      GLU  35 -12.712  -7.587  -0.737
  252    HG3  GLU  35           2HG      GLU  35 -12.141  -8.802   0.407
  253    H    VAL  36           H        VAL  36 -11.060  -6.247   1.618
  254    HA   VAL  36           HA       VAL  36 -10.120  -8.212   3.611
  255    HB   VAL  36           HB       VAL  36  -9.155  -7.729   1.225
  256   HG11  VAL  36          1HG1      VAL  36  -7.317  -6.229   1.076
  257   HG12  VAL  36          2HG1      VAL  36  -8.657  -5.280   1.742
  258   HG13  VAL  36          3HG1      VAL  36  -7.364  -5.849   2.808
  259   HG21  VAL  36          3HG2      VAL  36  -8.299  -9.426   2.761
  260   HG22  VAL  36          1HG2      VAL  36  -6.985  -8.597   1.911
  261   HG23  VAL  36          2HG2      VAL  36  -7.329  -8.198   3.605
  262    H    SER  37           H        SER  37 -10.893  -4.883   3.634
  263    HA   SER  37           HA       SER  37  -9.656  -4.473   6.288
  264    HB2  SER  37           1HB      SER  37  -7.938  -3.769   4.611
  265    HB3  SER  37           2HB      SER  37  -9.093  -2.595   3.962
  266    HG   SER  37           HG       SER  37  -7.947  -2.703   6.587
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1  21.228 -10.124  -1.714
    2    H2   GLY   1           2H       GLY   1  22.836 -10.051  -2.018
    3    H3   GLY   1           3H       GLY   1  21.788 -10.421  -3.221
    4    HA2  GLY   1           1HA      GLY   1  21.941  -7.829  -1.826
    5    HA3  GLY   1           2HA      GLY   1  22.557  -8.150  -3.457
    6    H    SER   2           H        SER   2  20.825  -6.110  -3.181
    7    HA   SER   2           HA       SER   2  18.477  -6.980  -4.743
    8    HB2  SER   2           1HB      SER   2  17.685  -7.094  -2.410
    9    HB3  SER   2           2HB      SER   2  18.199  -5.416  -2.144
   10    HG   SER   2           HG       SER   2  15.919  -5.751  -2.694
   11    H    SER   3           H        SER   3  17.537  -5.332  -5.969
   12    HA   SER   3           HA       SER   3  19.100  -2.869  -6.435
   13    HB2  SER   3           1HB      SER   3  17.504  -2.550  -8.302
   14    HB3  SER   3           2HB      SER   3  18.357  -4.100  -8.371
   15    HG   SER   3           HG       SER   3  16.099  -4.331  -8.765
   16    H    GLY   4           H        GLY   4  16.572  -3.783  -4.360
   17    HA2  GLY   4           1HA      GLY   4  14.861  -1.487  -4.464
   18    HA3  GLY   4           2HA      GLY   4  14.954  -2.685  -3.174
   19    H    SER   5           H        SER   5  18.046  -1.528  -3.288
   20    HA   SER   5           HA       SER   5  17.880  -0.120  -0.850
   21    HB2  SER   5           1HB      SER   5  20.098  -0.036  -2.930
   22    HB3  SER   5           2HB      SER   5  20.248   0.395  -1.215
   23    HG   SER   5           HG       SER   5  20.933  -1.767  -1.652
   24    H    SER   6           H        SER   6  17.358   1.171  -4.043
   25    HA   SER   6           HA       SER   6  18.165   3.882  -3.547
   26    HB2  SER   6           1HB      SER   6  16.231   2.778  -5.615
   27    HB3  SER   6           2HB      SER   6  17.007   4.374  -5.647
   28    HG   SER   6           HG       SER   6  18.129   2.832  -6.936
   29    H    GLY   7           H        GLY   7  15.226   2.221  -2.629
   30    HA2  GLY   7           1HA      GLY   7  14.219   4.206  -0.976
   31    HA3  GLY   7           2HA      GLY   7  13.467   4.535  -2.538
   32    H    ARG   8           H        ARG   8  11.967   3.897  -0.278
   33    HA   ARG   8           HA       ARG   8  11.349   1.088  -0.041
   34    HB2  ARG   8           1HB      ARG   8   9.602   3.452   0.751
   35    HB3  ARG   8           2HB      ARG   8   9.424   1.779   1.281
   36    HG2  ARG   8           1HG      ARG   8  11.805   1.998   2.268
   37    HG3  ARG   8           2HG      ARG   8  11.621   3.739   2.018
   38    HD2  ARG   8           1HD      ARG   8   9.945   1.897   3.761
   39    HD3  ARG   8           2HD      ARG   8  10.988   3.201   4.307
   40    HE   ARG   8           HE       ARG   8   8.237   3.382   3.323
   41   HH11  ARG   8          2HH1      ARG   8  11.099   5.357   3.816
   42   HH12  ARG   8          1HH1      ARG   8  10.169   6.832   3.805
   43   HH21  ARG   8          2HH2      ARG   8   7.151   5.224   3.335
   44   HH22  ARG   8          1HH2      ARG   8   7.963   6.761   3.539
   45    H    SER   9           H        SER   9   9.570  -0.080  -0.627
   46    HA   SER   9           HA       SER   9   7.591   1.045  -2.512
   47    HB2  SER   9           1HB      SER   9   7.643  -0.950  -3.923
   48    HB3  SER   9           2HB      SER   9   9.185  -0.082  -3.964
   49    HG   SER   9           HG       SER   9   9.489  -2.343  -3.737
   50    H    TYR  10           H        TYR  10   5.618  -0.106  -2.584
   51    HA   TYR  10           HA       TYR  10   4.982  -1.799  -0.197
   52    HB2  TYR  10           1HB      TYR  10   3.370   0.497  -1.388
   53    HB3  TYR  10           2HB      TYR  10   2.846  -0.563  -0.090
   54    HD1  TYR  10           2HD      TYR  10   5.355   2.058  -1.004
   55    HD2  TYR  10           1HD      TYR  10   3.482  -0.150   2.193
   56    HE1  TYR  10           2HE      TYR  10   6.445   3.554   0.668
   57    HE2  TYR  10           1HE      TYR  10   4.531   1.371   3.856
   58    HH   TYR  10           HH       TYR  10   5.863   3.182   4.188
   59    H    SER  11           H        SER  11   3.429  -3.454  -0.576
   60    HA   SER  11           HA       SER  11   2.502  -3.802  -3.377
   61    HB2  SER  11           1HB      SER  11   3.205  -6.151  -3.358
   62    HB3  SER  11           2HB      SER  11   4.565  -5.022  -3.260
   63    HG   SER  11           HG       SER  11   4.779  -6.754  -1.767
   64    H    CYS  12           H        CYS  12   0.707  -4.962  -3.758
   65    HA   CYS  12           HA       CYS  12  -1.281  -4.782  -1.760
   66    HB2  CYS  12           1HB      CYS  12  -1.661  -4.337  -4.095
   67    HB3  CYS  12           2HB      CYS  12  -1.271  -6.012  -4.523
   68    HA   PRO  13           HA       PRO  13  -0.878  -8.986  -0.112
   69    HB2  PRO  13           1HB      PRO  13  -2.847  -8.943   1.767
   70    HB3  PRO  13           2HB      PRO  13  -1.329  -8.014   1.941
   71    HG2  PRO  13           1HG      PRO  13  -4.017  -7.015   0.961
   72    HG3  PRO  13           2HG      PRO  13  -2.936  -6.269   2.177
   73    HD2  PRO  13           1HD      PRO  13  -2.971  -5.506  -0.464
   74    HD3  PRO  13           2HD      PRO  13  -1.483  -5.454   0.529
   75    H    VAL  14           H        VAL  14  -3.411  -7.775  -2.055
   76    HA   VAL  14           HA       VAL  14  -4.906 -10.373  -2.052
   77    HB   VAL  14           HB       VAL  14  -5.914  -7.719  -3.080
   78   HG11  VAL  14          1HG1      VAL  14  -8.132  -8.772  -2.769
   79   HG12  VAL  14          2HG1      VAL  14  -7.144  -9.686  -3.907
   80   HG13  VAL  14          3HG1      VAL  14  -7.345 -10.276  -2.241
   81   HG21  VAL  14          3HG2      VAL  14  -5.525  -7.322  -0.740
   82   HG22  VAL  14          1HG2      VAL  14  -7.245  -7.617  -0.937
   83   HG23  VAL  14          2HG2      VAL  14  -6.204  -8.907  -0.293
   84    H    CYS  15           H        CYS  15  -3.394  -7.978  -4.238
   85    HA   CYS  15           HA       CYS  15  -3.492 -10.002  -6.412
   86    HB2  CYS  15           1HB      CYS  15  -4.288  -8.518  -7.982
   87    HB3  CYS  15           2HB      CYS  15  -5.415  -8.482  -6.631
   88    H    GLU  16           H        GLU  16  -1.427  -8.546  -4.638
   89    HA   GLU  16           HA       GLU  16   0.798  -8.212  -4.638
   90    HB2  GLU  16           1HB      GLU  16   0.743  -9.966  -7.104
   91    HB3  GLU  16           2HB      GLU  16   2.145  -9.640  -6.081
   92    HG2  GLU  16           1HG      GLU  16   0.945 -10.630  -4.129
   93    HG3  GLU  16           2HG      GLU  16  -0.400 -11.058  -5.190
   94    H    LYS  17           H        LYS  17  -0.807  -6.371  -6.703
   95    HA   LYS  17           HA       LYS  17   1.257  -5.247  -8.374
   96    HB2  LYS  17           1HB      LYS  17  -1.350  -4.104  -7.306
   97    HB3  LYS  17           2HB      LYS  17  -0.311  -3.240  -8.454
   98    HG2  LYS  17           1HG      LYS  17  -0.560  -4.944 -10.139
   99    HG3  LYS  17           2HG      LYS  17  -1.312  -6.045  -8.988
  100    HD2  LYS  17           1HD      LYS  17  -3.196  -4.275  -8.754
  101    HD3  LYS  17           2HD      LYS  17  -2.478  -3.491 -10.162
  102    HE2  LYS  17           1HE      LYS  17  -4.317  -4.914 -10.862
  103    HE3  LYS  17           2HE      LYS  17  -2.803  -5.583 -11.482
  104    HZ1  LYS  17           3HZ      LYS  17  -4.330  -7.253 -10.433
  105    HZ2  LYS  17           1HZ      LYS  17  -4.092  -6.531  -8.968
  106    HZ3  LYS  17           2HZ      LYS  17  -2.847  -7.231  -9.736
  107    H    SER  18           H        SER  18   2.469  -3.422  -8.189
  108    HA   SER  18           HA       SER  18   3.258  -2.741  -5.408
  109    HB2  SER  18           1HB      SER  18   5.476  -2.230  -6.344
  110    HB3  SER  18           2HB      SER  18   4.970  -3.913  -6.556
  111    HG   SER  18           HG       SER  18   5.888  -3.040  -8.475
  112    H    PHE  19           H        PHE  19   3.713  -0.748  -4.712
  113    HA   PHE  19           HA       PHE  19   3.091   1.648  -6.361
  114    HB2  PHE  19           1HB      PHE  19   1.780   0.878  -3.719
  115    HB3  PHE  19           2HB      PHE  19   1.685   2.471  -4.448
  116    HD1  PHE  19           1HD      PHE  19   0.615  -1.063  -4.805
  117    HD2  PHE  19           2HD      PHE  19   0.270   2.932  -6.378
  118    HE1  PHE  19           1HE      PHE  19  -1.351  -1.768  -6.147
  119    HE2  PHE  19           2HE      PHE  19  -1.687   2.226  -7.733
  120    HZ   PHE  19           HZ       PHE  19  -2.488  -0.127  -7.635
  121    H    SER  20           H        SER  20   3.871   3.627  -5.469
  122    HA   SER  20           HA       SER  20   6.477   3.285  -4.267
  123    HB2  SER  20           1HB      SER  20   5.040   5.832  -5.080
  124    HB3  SER  20           2HB      SER  20   6.777   5.641  -4.784
  125    HG   SER  20           HG       SER  20   6.269   5.525  -7.022
  126    H    GLU  21           H        GLU  21   3.420   4.111  -2.815
  127    HA   GLU  21           HA       GLU  21   4.762   5.012  -0.317
  128    HB2  GLU  21           1HB      GLU  21   2.518   6.587  -1.616
  129    HB3  GLU  21           2HB      GLU  21   3.349   6.947  -0.104
  130    HG2  GLU  21           1HG      GLU  21   5.459   7.336  -1.381
  131    HG3  GLU  21           2HG      GLU  21   4.558   7.112  -2.889
  132    H    ASP  22           H        ASP  22   3.477   4.894   1.580
  133    HA   ASP  22           HA       ASP  22   1.494   2.872   1.730
  134    HB2  ASP  22           1HB      ASP  22   2.900   3.593   3.615
  135    HB3  ASP  22           2HB      ASP  22   2.118   5.173   3.620
  136    H    ARG  23           H        ARG  23   1.195   6.403   1.381
  137    HA   ARG  23           HA       ARG  23  -1.683   6.543   1.519
  138    HB2  ARG  23           1HB      ARG  23  -1.454   8.779   0.589
  139    HB3  ARG  23           2HB      ARG  23  -0.314   8.515   1.904
  140    HG2  ARG  23           1HG      ARG  23   1.537   8.266   0.367
  141    HG3  ARG  23           2HG      ARG  23   0.469   8.274  -1.041
  142    HD2  ARG  23           1HD      ARG  23   0.733  10.607   0.901
  143    HD3  ARG  23           2HD      ARG  23   1.719  10.448  -0.543
  144    HE   ARG  23           HE       ARG  23  -1.101  11.204  -0.407
  145   HH11  ARG  23          2HH1      ARG  23   1.409  10.044  -2.629
  146   HH12  ARG  23          1HH1      ARG  23   0.517  10.628  -4.011
  147   HH21  ARG  23          2HH2      ARG  23  -2.140  11.875  -2.237
  148   HH22  ARG  23          1HH2      ARG  23  -1.422  11.613  -3.798
  149    H    LEU  24           H        LEU  24   0.187   5.099  -0.866
  150    HA   LEU  24           HA       LEU  24  -1.992   5.345  -2.905
  151    HB2  LEU  24           1HB      LEU  24   0.833   4.268  -3.174
  152    HB3  LEU  24           2HB      LEU  24  -0.376   4.318  -4.452
  153    HG   LEU  24           HG       LEU  24   0.798   6.773  -3.071
  154   HD11  LEU  24          1HD1      LEU  24   1.330   5.600  -5.830
  155   HD12  LEU  24          2HD1      LEU  24   2.450   5.573  -4.447
  156   HD13  LEU  24          3HD1      LEU  24   1.999   7.116  -5.183
  157   HD21  LEU  24          3HD2      LEU  24  -1.439   7.267  -3.912
  158   HD22  LEU  24          1HD2      LEU  24  -1.040   6.530  -5.485
  159   HD23  LEU  24          2HD2      LEU  24  -0.229   8.020  -4.952
  160    H    ILE  25           H        ILE  25  -0.042   2.855  -1.101
  161    HA   ILE  25           HA       ILE  25  -1.552   0.730  -2.198
  162    HB   ILE  25           HB       ILE  25   0.752   0.658  -1.101
  163   HG12  ILE  25          1HG1      ILE  25   0.458  -1.662  -0.209
  164   HG13  ILE  25          2HG1      ILE  25  -1.290  -1.502  -0.430
  165   HG21  ILE  25          1HG2      ILE  25  -0.057   1.653   1.116
  166   HG22  ILE  25          2HG2      ILE  25  -0.792   0.087   1.471
  167   HG23  ILE  25          3HG2      ILE  25   0.962   0.218   1.247
  168   HD11  ILE  25          3HD1      ILE  25  -0.892  -1.123  -2.879
  169   HD12  ILE  25          1HD1      ILE  25   0.861  -1.304  -2.574
  170   HD13  ILE  25          2HD1      ILE  25  -0.258  -2.659  -2.320
  171    H    LYS  26           H        LYS  26  -2.119   2.554   0.827
  172    HA   LYS  26           HA       LYS  26  -4.314   0.891   1.724
  173    HB2  LYS  26           1HB      LYS  26  -3.636   3.816   2.271
  174    HB3  LYS  26           2HB      LYS  26  -4.913   2.927   3.097
  175    HG2  LYS  26           1HG      LYS  26  -1.948   2.210   3.183
  176    HG3  LYS  26           2HG      LYS  26  -2.844   3.083   4.429
  177    HD2  LYS  26           1HD      LYS  26  -4.368   1.069   4.639
  178    HD3  LYS  26           2HD      LYS  26  -3.267   0.181   3.576
  179    HE2  LYS  26           1HE      LYS  26  -2.491   1.487   6.225
  180    HE3  LYS  26           2HE      LYS  26  -2.914  -0.215   6.028
  181    HZ1  LYS  26           3HZ      LYS  26  -0.532   0.049   5.977
  182    HZ2  LYS  26           1HZ      LYS  26  -0.574   1.143   4.778
  183    HZ3  LYS  26           2HZ      LYS  26  -1.005  -0.418   4.487
  184    H    SER  27           H        SER  27  -4.242   3.778  -0.365
  185    HA   SER  27           HA       SER  27  -7.066   3.918  -0.822
  186    HB2  SER  27           1HB      SER  27  -4.741   4.802  -2.573
  187    HB3  SER  27           2HB      SER  27  -6.442   5.263  -2.804
  188    HG   SER  27           HG       SER  27  -5.008   6.730  -1.512
  189    H    HIS  28           H        HIS  28  -4.475   2.142  -2.607
  190    HA   HIS  28           HA       HIS  28  -6.153   1.030  -4.607
  191    HB2  HIS  28           1HB      HIS  28  -3.747   0.905  -4.818
  192    HB3  HIS  28           2HB      HIS  28  -3.590   0.017  -3.308
  193    HD1  HIS  28           1HD      HIS  28  -4.879  -0.576  -6.901
  194    HD2  HIS  28           2HD      HIS  28  -3.857  -2.609  -3.370
  195    HE1  HIS  28           1HE      HIS  28  -4.997  -3.041  -7.472
  196    H    ILE  29           H        ILE  29  -5.279  -0.339  -1.408
  197    HA   ILE  29           HA       ILE  29  -6.910  -2.682  -1.645
  198    HB   ILE  29           HB       ILE  29  -5.860  -1.180   0.778
  199   HG12  ILE  29          1HG1      ILE  29  -4.911  -3.827  -0.428
  200   HG13  ILE  29          2HG1      ILE  29  -4.223  -2.282  -0.898
  201   HG21  ILE  29          1HG2      ILE  29  -6.330  -3.250   2.088
  202   HG22  ILE  29          2HG2      ILE  29  -7.809  -2.523   1.492
  203   HG23  ILE  29          3HG2      ILE  29  -7.144  -3.955   0.677
  204   HD11  ILE  29          3HD1      ILE  29  -3.587  -1.843   1.485
  205   HD12  ILE  29          1HD1      ILE  29  -4.105  -3.502   1.880
  206   HD13  ILE  29          2HD1      ILE  29  -2.777  -3.233   0.742
  207    H    LYS  30           H        LYS  30  -7.715   0.602  -0.364
  208    HA   LYS  30           HA       LYS  30 -10.279  -0.067   0.610
  209    HB2  LYS  30           1HB      LYS  30  -8.856   1.843   1.263
  210    HB3  LYS  30           2HB      LYS  30  -9.060   2.571  -0.345
  211    HG2  LYS  30           1HG      LYS  30 -11.459   2.710   0.019
  212    HG3  LYS  30           2HG      LYS  30 -11.285   1.940   1.608
  213    HD2  LYS  30           1HD      LYS  30 -10.094   4.636   0.794
  214    HD3  LYS  30           2HD      LYS  30 -11.589   4.423   1.717
  215    HE2  LYS  30           1HE      LYS  30 -10.305   3.243   3.506
  216    HE3  LYS  30           2HE      LYS  30  -8.809   3.535   2.609
  217    HZ1  LYS  30           3HZ      LYS  30 -10.599   5.657   3.673
  218    HZ2  LYS  30           1HZ      LYS  30  -9.219   5.931   2.840
  219    HZ3  LYS  30           2HZ      LYS  30  -9.161   5.228   4.310
  220    H    THR  31           H        THR  31  -9.274   1.146  -2.612
  221    HA   THR  31           HA       THR  31 -12.091   1.260  -3.446
  222    HB   THR  31           HB       THR  31 -10.346   3.004  -3.971
  223    HG1  THR  31           1HG      THR  31 -12.309   3.075  -4.957
  224   HG21  THR  31          3HG2      THR  31  -9.677   1.196  -6.320
  225   HG22  THR  31          1HG2      THR  31  -8.605   1.426  -4.915
  226   HG23  THR  31          2HG2      THR  31  -9.021   2.802  -5.949
  227    H    ASN  32           H        ASN  32  -9.431  -1.014  -3.995
  228    HA   ASN  32           HA       ASN  32 -11.074  -2.454  -6.034
  229    HB2  ASN  32           1HB      ASN  32  -8.182  -2.862  -5.184
  230    HB3  ASN  32           2HB      ASN  32  -9.023  -3.742  -6.451
  231   HD21  ASN  32          1HD2      ASN  32  -7.455  -0.769  -5.629
  232   HD22  ASN  32          2HD2      ASN  32  -7.570  -0.048  -7.244
  233    H    HIS  33           H        HIS  33  -9.975  -2.871  -2.690
  234    HA   HIS  33           HA       HIS  33 -11.108  -5.632  -2.663
  235    HB2  HIS  33           1HB      HIS  33  -8.581  -4.786  -1.233
  236    HB3  HIS  33           2HB      HIS  33  -9.202  -6.412  -1.477
  237    HD1  HIS  33           1HD      HIS  33  -9.475  -6.610  -4.575
  238    HD2  HIS  33           2HD      HIS  33  -6.394  -4.607  -2.544
  239    HE1  HIS  33           1HE      HIS  33  -7.532  -6.502  -6.204
  240    HA   PRO  34           HA       PRO  34 -12.261  -2.728   1.012
  241    HB2  PRO  34           1HB      PRO  34 -14.977  -2.426   0.661
  242    HB3  PRO  34           2HB      PRO  34 -13.742  -1.347  -0.053
  243    HG2  PRO  34           1HG      PRO  34 -15.143  -3.707  -1.355
  244    HG3  PRO  34           2HG      PRO  34 -14.921  -2.050  -2.013
  245    HD2  PRO  34           1HD      PRO  34 -13.247  -4.046  -2.719
  246    HD3  PRO  34           2HD      PRO  34 -12.613  -2.405  -2.379
  247    H    GLU  35           H        GLU  35 -14.001  -5.569  -0.256
  248    HA   GLU  35           HA       GLU  35 -15.079  -6.348   2.344
  249    HB2  GLU  35           1HB      GLU  35 -15.944  -8.278   1.191
  250    HB3  GLU  35           2HB      GLU  35 -16.263  -6.820   0.258
  251    HG2  GLU  35           1HG      GLU  35 -14.324  -7.363  -1.232
  252    HG3  GLU  35           2HG      GLU  35 -14.044  -8.838  -0.306
  253    H    VAL  36           H        VAL  36 -11.971  -6.410   1.264
  254    HA   VAL  36           HA       VAL  36 -11.235  -9.033   2.466
  255    HB   VAL  36           HB       VAL  36  -9.442  -7.384   0.684
  256   HG11  VAL  36          1HG1      VAL  36  -8.434  -9.344   1.761
  257   HG12  VAL  36          2HG1      VAL  36  -9.755 -10.378   1.170
  258   HG13  VAL  36          3HG1      VAL  36  -8.610  -9.641   0.033
  259   HG21  VAL  36          3HG2      VAL  36 -10.279  -8.674  -1.283
  260   HG22  VAL  36          1HG2      VAL  36 -11.604  -9.306  -0.283
  261   HG23  VAL  36          2HG2      VAL  36 -11.499  -7.570  -0.656
  262    H    SER  37           H        SER  37 -10.964  -5.639   2.993
  263    HA   SER  37           HA       SER  37  -8.577  -5.321   4.445
  264    HB2  SER  37           1HB      SER  37 -11.270  -3.966   4.857
  265    HB3  SER  37           2HB      SER  37  -9.713  -3.393   5.485
  266    HG   SER  37           HG       SER  37 -10.261  -2.384   3.475
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  24.770 -14.774   1.922
    2    H2   GLY   1           2H       GLY   1  23.154 -14.824   1.657
    3    H3   GLY   1           3H       GLY   1  23.743 -14.032   2.961
    4    HA2  GLY   1           1HA      GLY   1  24.831 -12.399   1.564
    5    HA3  GLY   1           2HA      GLY   1  24.190 -13.258   0.151
    6    H    SER   2           H        SER   2  23.513 -10.806   0.011
    7    HA   SER   2           HA       SER   2  20.624 -10.689   0.610
    8    HB2  SER   2           1HB      SER   2  21.647  -9.606   2.568
    9    HB3  SER   2           2HB      SER   2  22.558  -8.514   1.506
   10    HG   SER   2           HG       SER   2  20.544  -7.658   2.385
   11    H    SER   3           H        SER   3  19.470  -9.310  -0.743
   12    HA   SER   3           HA       SER   3  20.737  -8.454  -3.267
   13    HB2  SER   3           1HB      SER   3  18.414  -7.980  -3.947
   14    HB3  SER   3           2HB      SER   3  18.618  -9.640  -3.365
   15    HG   SER   3           HG       SER   3  16.753  -8.658  -2.465
   16    H    GLY   4           H        GLY   4  20.194  -7.027  -0.219
   17    HA2  GLY   4           1HA      GLY   4  20.584  -4.876   0.513
   18    HA3  GLY   4           2HA      GLY   4  20.956  -4.379  -1.138
   19    H    SER   5           H        SER   5  17.831  -5.866  -0.629
   20    HA   SER   5           HA       SER   5  16.379  -3.490  -1.402
   21    HB2  SER   5           1HB      SER   5  14.396  -4.894  -1.141
   22    HB3  SER   5           2HB      SER   5  15.662  -5.727  -2.057
   23    HG   SER   5           HG       SER   5  14.737  -7.099  -0.480
   24    H    SER   6           H        SER   6  14.471  -2.665  -0.189
   25    HA   SER   6           HA       SER   6  14.821  -2.544   2.764
   26    HB2  SER   6           1HB      SER   6  14.673  -0.135   2.758
   27    HB3  SER   6           2HB      SER   6  16.025  -0.638   1.731
   28    HG   SER   6           HG       SER   6  14.888   0.888   0.593
   29    H    GLY   7           H        GLY   7  13.005  -1.623   3.913
   30    HA2  GLY   7           1HA      GLY   7  10.481  -2.727   3.022
   31    HA3  GLY   7           2HA      GLY   7  10.810  -1.901   4.544
   32    H    ARG   8           H        ARG   8  11.711   0.109   1.941
   33    HA   ARG   8           HA       ARG   8   9.477   1.933   2.506
   34    HB2  ARG   8           1HB      ARG   8  11.925   2.232   0.722
   35    HB3  ARG   8           2HB      ARG   8  10.742   3.506   1.063
   36    HG2  ARG   8           1HG      ARG   8  11.240   3.279   3.512
   37    HG3  ARG   8           2HG      ARG   8  12.539   2.142   3.123
   38    HD2  ARG   8           1HD      ARG   8  12.352   5.019   2.125
   39    HD3  ARG   8           2HD      ARG   8  13.307   4.507   3.506
   40    HE   ARG   8           HE       ARG   8  13.899   4.071   0.650
   41   HH11  ARG   8          2HH1      ARG   8  14.859   3.185   3.906
   42   HH12  ARG   8          1HH1      ARG   8  16.436   2.655   3.389
   43   HH21  ARG   8          2HH2      ARG   8  15.924   3.395   0.071
   44   HH22  ARG   8          1HH2      ARG   8  17.014   2.770   1.272
   45    H    SER   9           H        SER   9   9.891  -0.478   0.168
   46    HA   SER   9           HA       SER   9   7.907   0.739  -1.702
   47    HB2  SER   9           1HB      SER   9   9.484  -1.846  -1.912
   48    HB3  SER   9           2HB      SER   9   8.339  -1.224  -3.116
   49    HG   SER   9           HG       SER   9  10.527  -0.671  -3.603
   50    H    TYR  10           H        TYR  10   5.913  -0.223  -2.133
   51    HA   TYR  10           HA       TYR  10   4.888  -2.155  -0.085
   52    HB2  TYR  10           1HB      TYR  10   3.412   0.129  -1.436
   53    HB3  TYR  10           2HB      TYR  10   2.771  -0.964  -0.224
   54    HD1  TYR  10           2HD      TYR  10   5.124   1.851  -0.832
   55    HD2  TYR  10           1HD      TYR  10   3.239  -0.637   2.148
   56    HE1  TYR  10           2HE      TYR  10   5.983   3.351   0.953
   57    HE2  TYR  10           1HE      TYR  10   4.060   0.899   3.935
   58    HH   TYR  10           HH       TYR  10   6.078   3.772   3.206
   59    H    SER  11           H        SER  11   3.381  -3.743  -0.795
   60    HA   SER  11           HA       SER  11   2.581  -3.773  -3.622
   61    HB2  SER  11           1HB      SER  11   3.232  -6.135  -3.936
   62    HB3  SER  11           2HB      SER  11   4.609  -5.033  -3.776
   63    HG   SER  11           HG       SER  11   4.883  -6.942  -2.529
   64    H    CYS  12           H        CYS  12   0.692  -4.785  -4.074
   65    HA   CYS  12           HA       CYS  12  -1.240  -4.772  -2.095
   66    HB2  CYS  12           1HB      CYS  12  -1.665  -4.408  -4.445
   67    HB3  CYS  12           2HB      CYS  12  -1.272  -6.098  -4.811
   68    HA   PRO  13           HA       PRO  13  -0.739  -8.915  -0.326
   69    HB2  PRO  13           1HB      PRO  13  -2.740  -8.868   1.528
   70    HB3  PRO  13           2HB      PRO  13  -1.240  -7.911   1.697
   71    HG2  PRO  13           1HG      PRO  13  -3.929  -6.979   0.645
   72    HG3  PRO  13           2HG      PRO  13  -2.887  -6.192   1.871
   73    HD2  PRO  13           1HD      PRO  13  -2.872  -5.462  -0.766
   74    HD3  PRO  13           2HD      PRO  13  -1.390  -5.414   0.237
   75    H    VAL  14           H        VAL  14  -3.322  -7.835  -2.299
   76    HA   VAL  14           HA       VAL  14  -4.623 -10.546  -2.333
   77    HB   VAL  14           HB       VAL  14  -5.827  -7.878  -3.116
   78   HG11  VAL  14          1HG1      VAL  14  -7.070 -10.648  -2.830
   79   HG12  VAL  14          2HG1      VAL  14  -7.979  -9.144  -3.077
   80   HG13  VAL  14          3HG1      VAL  14  -6.891  -9.720  -4.337
   81   HG21  VAL  14          3HG2      VAL  14  -6.254  -9.569  -0.617
   82   HG22  VAL  14          1HG2      VAL  14  -5.543  -7.940  -0.689
   83   HG23  VAL  14          2HG2      VAL  14  -7.242  -8.166  -1.087
   84    H    CYS  15           H        CYS  15  -3.310  -7.963  -4.439
   85    HA   CYS  15           HA       CYS  15  -3.326  -9.884  -6.689
   86    HB2  CYS  15           1HB      CYS  15  -4.387  -8.496  -8.166
   87    HB3  CYS  15           2HB      CYS  15  -5.433  -8.652  -6.760
   88    H    GLU  16           H        GLU  16  -1.271  -8.828  -5.068
   89    HA   GLU  16           HA       GLU  16   0.943  -8.521  -5.120
   90    HB2  GLU  16           1HB      GLU  16   0.505 -10.450  -6.641
   91    HB3  GLU  16           2HB      GLU  16   0.727  -9.371  -8.020
   92    HG2  GLU  16           1HG      GLU  16   3.059  -8.979  -7.381
   93    HG3  GLU  16           2HG      GLU  16   2.829  -9.863  -5.867
   94    H    LYS  17           H        LYS  17  -0.625  -6.423  -7.397
   95    HA   LYS  17           HA       LYS  17   1.489  -5.063  -8.590
   96    HB2  LYS  17           1HB      LYS  17  -1.278  -4.188  -7.735
   97    HB3  LYS  17           2HB      LYS  17  -0.182  -3.032  -8.499
   98    HG2  LYS  17           1HG      LYS  17   0.032  -4.306 -10.489
   99    HG3  LYS  17           2HG      LYS  17  -0.739  -5.727  -9.794
  100    HD2  LYS  17           1HD      LYS  17  -2.162  -3.053 -10.198
  101    HD3  LYS  17           2HD      LYS  17  -2.177  -4.357 -11.395
  102    HE2  LYS  17           1HE      LYS  17  -3.244  -4.496  -8.550
  103    HE3  LYS  17           2HE      LYS  17  -4.221  -4.315 -10.009
  104    HZ1  LYS  17           3HZ      LYS  17  -4.096  -6.585  -9.123
  105    HZ2  LYS  17           1HZ      LYS  17  -2.520  -6.686  -9.411
  106    HZ3  LYS  17           2HZ      LYS  17  -3.557  -6.532 -10.691
  107    H    SER  18           H        SER  18   2.841  -3.441  -8.223
  108    HA   SER  18           HA       SER  18   3.471  -2.865  -5.418
  109    HB2  SER  18           1HB      SER  18   5.043  -2.262  -7.935
  110    HB3  SER  18           2HB      SER  18   5.613  -2.064  -6.265
  111    HG   SER  18           HG       SER  18   6.270  -4.072  -7.203
  112    H    PHE  19           H        PHE  19   3.873  -0.875  -4.523
  113    HA   PHE  19           HA       PHE  19   3.018   1.599  -5.931
  114    HB2  PHE  19           1HB      PHE  19   1.978   0.678  -3.225
  115    HB3  PHE  19           2HB      PHE  19   1.662   2.239  -3.964
  116    HD1  PHE  19           2HD      PHE  19   0.343   2.357  -6.140
  117    HD2  PHE  19           1HD      PHE  19   0.674  -1.269  -3.825
  118    HE1  PHE  19           2HE      PHE  19  -1.560   1.373  -7.400
  119    HE2  PHE  19           1HE      PHE  19  -1.225  -2.245  -5.093
  120    HZ   PHE  19           HZ       PHE  19  -2.323  -0.936  -6.893
  121    H    SER  20           H        SER  20   3.937   3.487  -5.176
  122    HA   SER  20           HA       SER  20   6.515   3.155  -3.854
  123    HB2  SER  20           1HB      SER  20   5.220   5.642  -5.022
  124    HB3  SER  20           2HB      SER  20   6.930   5.433  -4.598
  125    HG   SER  20           HG       SER  20   6.550   5.097  -6.840
  126    H    GLU  21           H        GLU  21   3.447   3.984  -2.616
  127    HA   GLU  21           HA       GLU  21   4.597   5.220  -0.173
  128    HB2  GLU  21           1HB      GLU  21   2.292   6.455  -1.718
  129    HB3  GLU  21           2HB      GLU  21   2.967   7.026  -0.194
  130    HG2  GLU  21           1HG      GLU  21   5.118   7.534  -1.352
  131    HG3  GLU  21           2HG      GLU  21   4.378   7.070  -2.896
  132    H    ASP  22           H        ASP  22   3.220   5.115   1.664
  133    HA   ASP  22           HA       ASP  22   1.541   2.828   1.871
  134    HB2  ASP  22           1HB      ASP  22   1.141   3.531   4.114
  135    HB3  ASP  22           2HB      ASP  22   2.828   3.826   3.735
  136    H    ARG  23           H        ARG  23   0.742   6.262   1.325
  137    HA   ARG  23           HA       ARG  23  -2.123   5.932   1.544
  138    HB2  ARG  23           1HB      ARG  23  -2.287   8.141   0.525
  139    HB3  ARG  23           2HB      ARG  23  -1.125   8.096   1.849
  140    HG2  ARG  23           1HG      ARG  23   0.748   8.029   0.216
  141    HG3  ARG  23           2HG      ARG  23  -0.415   8.093  -1.124
  142    HD2  ARG  23           1HD      ARG  23  -1.192  10.289  -0.419
  143    HD3  ARG  23           2HD      ARG  23  -0.212  10.200   1.063
  144    HE   ARG  23           HE       ARG  23   1.413   9.890  -1.328
  145   HH11  ARG  23          2HH2      ARG  23  -0.178  12.466   0.442
  146   HH12  ARG  23          1HH2      ARG  23   1.079  13.611   0.056
  147   HH21  ARG  23          2HH1      ARG  23   3.054  11.275  -1.555
  148   HH22  ARG  23          1HH1      ARG  23   2.852  12.965  -1.130
  149    H    LEU  24           H        LEU  24   0.068   5.431  -1.173
  150    HA   LEU  24           HA       LEU  24  -2.030   5.303  -3.184
  151    HB2  LEU  24           1HB      LEU  24   0.838   4.293  -3.137
  152    HB3  LEU  24           2HB      LEU  24  -0.213   4.183  -4.544
  153    HG   LEU  24           HG       LEU  24   0.582   6.809  -3.219
  154   HD11  LEU  24          1HD1      LEU  24   2.520   5.648  -4.226
  155   HD12  LEU  24          2HD1      LEU  24   2.079   7.090  -5.148
  156   HD13  LEU  24          3HD1      LEU  24   1.628   5.480  -5.757
  157   HD21  LEU  24          3HD2      LEU  24  -1.525   7.025  -4.456
  158   HD22  LEU  24          1HD2      LEU  24  -0.805   6.219  -5.869
  159   HD23  LEU  24          2HD2      LEU  24  -0.219   7.813  -5.343
  160    H    ILE  25           H        ILE  25  -0.260   2.768  -1.314
  161    HA   ILE  25           HA       ILE  25  -1.886   0.669  -2.452
  162    HB   ILE  25           HB       ILE  25   0.334   0.215  -1.583
  163   HG12  ILE  25          1HG1      ILE  25  -1.821  -1.368  -0.126
  164   HG13  ILE  25          2HG1      ILE  25  -1.462  -1.525  -1.847
  165   HG21  ILE  25          1HG2      ILE  25   0.303   1.663   0.421
  166   HG22  ILE  25          2HG2      ILE  25  -0.849   0.555   1.209
  167   HG23  ILE  25          3HG2      ILE  25   0.796   0.028   0.815
  168   HD11  ILE  25          3HD1      ILE  25  -0.407  -3.303  -0.599
  169   HD12  ILE  25          1HD1      ILE  25   0.839  -2.250  -1.306
  170   HD13  ILE  25          2HD1      ILE  25   0.454  -2.161   0.434
  171    H    LYS  26           H        LYS  26  -2.281   2.620   0.566
  172    HA   LYS  26           HA       LYS  26  -4.615   1.180   1.452
  173    HB2  LYS  26           1HB      LYS  26  -3.567   3.973   1.975
  174    HB3  LYS  26           2HB      LYS  26  -5.148   3.465   2.582
  175    HG2  LYS  26           1HG      LYS  26  -4.195   1.561   3.754
  176    HG3  LYS  26           2HG      LYS  26  -2.580   1.917   3.140
  177    HD2  LYS  26           1HD      LYS  26  -4.182   3.834   4.902
  178    HD3  LYS  26           2HD      LYS  26  -3.037   2.630   5.525
  179    HE2  LYS  26           1HE      LYS  26  -1.236   3.616   4.127
  180    HE3  LYS  26           2HE      LYS  26  -2.346   4.866   3.568
  181    HZ1  LYS  26           3HZ      LYS  26  -2.499   5.694   5.828
  182    HZ2  LYS  26           1HZ      LYS  26  -0.911   5.565   5.414
  183    HZ3  LYS  26           2HZ      LYS  26  -1.588   4.463   6.411
  184    H    SER  27           H        SER  27  -4.421   4.037  -0.757
  185    HA   SER  27           HA       SER  27  -7.227   4.144  -1.276
  186    HB2  SER  27           1HB      SER  27  -4.839   4.885  -3.001
  187    HB3  SER  27           2HB      SER  27  -6.525   5.166  -3.480
  188    HG   SER  27           HG       SER  27  -5.577   6.985  -2.406
  189    H    HIS  28           H        HIS  28  -4.680   2.148  -2.901
  190    HA   HIS  28           HA       HIS  28  -6.436   0.927  -4.784
  191    HB2  HIS  28           1HB      HIS  28  -4.027   0.815  -5.022
  192    HB3  HIS  28           2HB      HIS  28  -3.856  -0.041  -3.497
  193    HD1  HIS  28           1HD      HIS  28  -5.193  -0.693  -7.060
  194    HD2  HIS  28           2HD      HIS  28  -4.075  -2.650  -3.512
  195    HE1  HIS  28           1HE      HIS  28  -5.120  -3.162  -7.632
  196    H    ILE  29           H        ILE  29  -5.486  -0.230  -1.512
  197    HA   ILE  29           HA       ILE  29  -7.125  -2.573  -1.537
  198    HB   ILE  29           HB       ILE  29  -6.036  -0.876   0.735
  199   HG12  ILE  29          1HG1      ILE  29  -5.227  -3.632  -0.332
  200   HG13  ILE  29          2HG1      ILE  29  -4.415  -2.129  -0.752
  201   HG21  ILE  29          1HG2      ILE  29  -8.047  -2.037   1.587
  202   HG22  ILE  29          2HG2      ILE  29  -7.447  -3.581   0.944
  203   HG23  ILE  29          3HG2      ILE  29  -6.603  -2.748   2.266
  204   HD11  ILE  29          3HD1      ILE  29  -4.488  -3.403   2.003
  205   HD12  ILE  29          1HD1      ILE  29  -3.108  -3.220   0.918
  206   HD13  ILE  29          2HD1      ILE  29  -3.838  -1.779   1.658
  207    H    LYS  30           H        LYS  30  -7.925   0.782  -0.513
  208    HA   LYS  30           HA       LYS  30 -10.580  -0.006   0.378
  209    HB2  LYS  30           1HB      LYS  30  -9.275   2.694  -0.099
  210    HB3  LYS  30           2HB      LYS  30 -10.931   2.507   0.504
  211    HG2  LYS  30           1HG      LYS  30 -10.153   1.194   2.420
  212    HG3  LYS  30           2HG      LYS  30  -8.481   1.286   1.859
  213    HD2  LYS  30           1HD      LYS  30  -8.610   3.795   2.026
  214    HD3  LYS  30           2HD      LYS  30 -10.215   3.632   2.748
  215    HE2  LYS  30           1HE      LYS  30  -7.597   2.506   3.853
  216    HE3  LYS  30           2HE      LYS  30  -8.433   3.945   4.442
  217    HZ1  LYS  30           3HZ      LYS  30  -9.446   1.153   4.583
  218    HZ2  LYS  30           1HZ      LYS  30 -10.334   2.471   5.017
  219    HZ3  LYS  30           2HZ      LYS  30  -8.977   2.080   5.838
  220    H    THR  31           H        THR  31  -9.423   0.905  -2.811
  221    HA   THR  31           HA       THR  31 -12.166   1.246  -3.832
  222    HB   THR  31           HB       THR  31 -10.932   1.571  -5.987
  223    HG1  THR  31           1HG      THR  31  -8.644   1.904  -4.419
  224   HG21  THR  31          3HG2      THR  31 -10.069   3.817  -5.427
  225   HG22  THR  31          1HG2      THR  31 -10.183   3.429  -3.695
  226   HG23  THR  31          2HG2      THR  31 -11.650   3.511  -4.688
  227    H    ASN  32           H        ASN  32  -9.559  -1.170  -4.010
  228    HA   ASN  32           HA       ASN  32 -11.194  -2.813  -5.897
  229    HB2  ASN  32           1HB      ASN  32  -8.233  -2.838  -5.176
  230    HB3  ASN  32           2HB      ASN  32  -9.011  -4.029  -6.200
  231   HD21  ASN  32          1HD2      ASN  32  -8.486  -0.441  -6.013
  232   HD22  ASN  32          2HD2      ASN  32  -8.459  -0.279  -7.757
  233    H    HIS  33           H        HIS  33  -9.975  -2.915  -2.591
  234    HA   HIS  33           HA       HIS  33 -11.033  -5.679  -2.231
  235    HB2  HIS  33           1HB      HIS  33  -8.422  -4.693  -1.051
  236    HB3  HIS  33           2HB      HIS  33  -9.038  -6.340  -1.098
  237    HD1  HIS  33           1HD      HIS  33  -9.455  -6.890  -4.113
  238    HD2  HIS  33           2HD      HIS  33  -6.389  -4.483  -2.554
  239    HE1  HIS  33           1HE      HIS  33  -7.654  -6.827  -5.902
  240    HA   PRO  34           HA       PRO  34 -12.071  -2.218   0.918
  241    HB2  PRO  34           1HB      PRO  34 -14.832  -2.310   0.857
  242    HB3  PRO  34           2HB      PRO  34 -13.813  -1.295  -0.213
  243    HG2  PRO  34           1HG      PRO  34 -15.016  -4.018  -0.805
  244    HG3  PRO  34           2HG      PRO  34 -15.055  -2.542  -1.828
  245    HD2  PRO  34           1HD      PRO  34 -13.218  -4.464  -2.275
  246    HD3  PRO  34           2HD      PRO  34 -12.753  -2.735  -2.352
  247    H    GLU  35           H        GLU  35 -13.701  -5.397   0.635
  248    HA   GLU  35           HA       GLU  35 -14.319  -5.610   3.458
  249    HB2  GLU  35           1HB      GLU  35 -14.992  -7.870   2.945
  250    HB3  GLU  35           2HB      GLU  35 -15.610  -6.757   1.729
  251    HG2  GLU  35           1HG      GLU  35 -13.751  -7.435   0.187
  252    HG3  GLU  35           2HG      GLU  35 -13.187  -8.582   1.403
  253    H    VAL  36           H        VAL  36 -11.370  -5.612   2.010
  254    HA   VAL  36           HA       VAL  36 -10.067  -7.495   3.913
  255    HB   VAL  36           HB       VAL  36  -8.711  -6.480   1.423
  256   HG11  VAL  36          1HG1      VAL  36  -8.679  -9.159   2.880
  257   HG12  VAL  36          2HG1      VAL  36  -7.674  -8.722   1.483
  258   HG13  VAL  36          3HG1      VAL  36  -7.445  -7.891   3.020
  259   HG21  VAL  36          3HG2      VAL  36 -10.845  -7.252   0.480
  260   HG22  VAL  36          1HG2      VAL  36  -9.577  -8.423   0.123
  261   HG23  VAL  36          2HG2      VAL  36 -10.740  -8.756   1.424
  262    H    SER  37           H        SER  37 -10.655  -4.251   3.510
  263    HA   SER  37           HA       SER  37  -8.114  -3.052   4.224
  264    HB2  SER  37           1HB      SER  37 -10.057  -1.895   3.070
  265    HB3  SER  37           2HB      SER  37 -10.899  -1.910   4.633
  266    HG   SER  37           HG       SER  37  -8.714  -0.972   5.378
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  11.551  15.976   4.309
    2    H2   GLY   1           2H       GLY   1  10.189  15.070   4.348
    3    H3   GLY   1           3H       GLY   1  10.255  16.409   3.406
    4    HA2  GLY   1           1HA      GLY   1  10.455  14.454   2.032
    5    HA3  GLY   1           2HA      GLY   1  11.943  15.418   2.005
    6    H    SER   2           H        SER   2  13.234  13.627   1.468
    7    HA   SER   2           HA       SER   2  13.999  11.874   3.729
    8    HB2  SER   2           1HB      SER   2  13.870   9.852   2.447
    9    HB3  SER   2           2HB      SER   2  12.289  10.636   2.367
   10    HG   SER   2           HG       SER   2  12.899   9.960   0.302
   11    H    SER   3           H        SER   3  15.981  10.479   2.984
   12    HA   SER   3           HA       SER   3  18.112  12.241   2.139
   13    HB2  SER   3           1HB      SER   3  19.501  10.238   2.430
   14    HB3  SER   3           2HB      SER   3  18.391  10.441   3.797
   15    HG   SER   3           HG       SER   3  18.340   8.302   3.131
   16    H    GLY   4           H        GLY   4  15.921  10.293   0.327
   17    HA2  GLY   4           1HA      GLY   4  15.806   9.776  -1.936
   18    HA3  GLY   4           2HA      GLY   4  17.385  10.525  -2.201
   19    H    SER   5           H        SER   5  18.393   8.698   0.147
   20    HA   SER   5           HA       SER   5  19.072   6.328  -1.479
   21    HB2  SER   5           1HB      SER   5  19.953   7.172   1.306
   22    HB3  SER   5           2HB      SER   5  20.597   5.806   0.373
   23    HG   SER   5           HG       SER   5  21.900   7.691   0.163
   24    H    SER   6           H        SER   6  16.960   7.143   1.206
   25    HA   SER   6           HA       SER   6  16.425   4.370   1.973
   26    HB2  SER   6           1HB      SER   6  16.465   6.413   3.500
   27    HB3  SER   6           2HB      SER   6  14.876   6.819   2.842
   28    HG   SER   6           HG       SER   6  14.731   5.586   4.749
   29    H    GLY   7           H        GLY   7  16.000   4.440  -0.675
   30    HA2  GLY   7           1HA      GLY   7  13.261   4.996  -1.498
   31    HA3  GLY   7           2HA      GLY   7  14.489   4.129  -2.420
   32    H    ARG   8           H        ARG   8  11.533   3.764  -1.146
   33    HA   ARG   8           HA       ARG   8  11.712   0.825  -0.615
   34    HB2  ARG   8           1HB      ARG   8  10.403   2.921   1.178
   35    HB3  ARG   8           2HB      ARG   8  10.223   1.174   1.380
   36    HG2  ARG   8           1HG      ARG   8  12.607   0.910   1.847
   37    HG3  ARG   8           2HG      ARG   8  12.907   2.608   1.477
   38    HD2  ARG   8           1HD      ARG   8  11.303   3.202   3.363
   39    HD3  ARG   8           2HD      ARG   8  11.422   1.514   3.871
   40    HE   ARG   8           HE       ARG   8  13.568   3.597   3.840
   41   HH11  ARG   8          2HH1      ARG   8  12.874   0.240   4.624
   42   HH12  ARG   8          1HH1      ARG   8  14.406   0.044   5.432
   43   HH21  ARG   8          2HH2      ARG   8  15.423   3.286   4.816
   44   HH22  ARG   8          1HH2      ARG   8  15.833   1.752   5.561
   45    H    SER   9           H        SER   9   9.692  -0.284  -0.727
   46    HA   SER   9           HA       SER   9   7.433   1.079  -2.081
   47    HB2  SER   9           1HB      SER   9   7.309  -0.670  -3.802
   48    HB3  SER   9           2HB      SER   9   8.812   0.258  -3.904
   49    HG   SER   9           HG       SER   9   9.189  -1.999  -4.092
   50    H    TYR  10           H        TYR  10   5.539  -0.292  -2.301
   51    HA   TYR  10           HA       TYR  10   5.150  -2.309  -0.128
   52    HB2  TYR  10           1HB      TYR  10   3.186  -0.136  -0.953
   53    HB3  TYR  10           2HB      TYR  10   3.001  -1.301   0.349
   54    HD1  TYR  10           2HD      TYR  10   4.742   1.790  -0.744
   55    HD2  TYR  10           1HD      TYR  10   4.049  -0.943   2.524
   56    HE1  TYR  10           2HE      TYR  10   5.805   3.402   0.838
   57    HE2  TYR  10           1HE      TYR  10   5.062   0.692   4.105
   58    HH   TYR  10           HH       TYR  10   6.076   2.734   4.346
   59    H    SER  11           H        SER  11   3.586  -3.967  -0.658
   60    HA   SER  11           HA       SER  11   2.515  -3.950  -3.446
   61    HB2  SER  11           1HB      SER  11   4.006  -6.246  -2.150
   62    HB3  SER  11           2HB      SER  11   3.065  -6.358  -3.650
   63    HG   SER  11           HG       SER  11   5.362  -5.968  -3.940
   64    H    CYS  12           H        CYS  12   0.548  -4.724  -3.748
   65    HA   CYS  12           HA       CYS  12  -1.300  -4.762  -1.694
   66    HB2  CYS  12           1HB      CYS  12  -1.771  -4.227  -3.990
   67    HB3  CYS  12           2HB      CYS  12  -1.422  -5.891  -4.495
   68    HA   PRO  13           HA       PRO  13  -0.977  -8.994  -0.144
   69    HB2  PRO  13           1HB      PRO  13  -3.054  -9.022   1.627
   70    HB3  PRO  13           2HB      PRO  13  -1.554  -8.088   1.904
   71    HG2  PRO  13           1HG      PRO  13  -4.189  -7.081   0.784
   72    HG3  PRO  13           2HG      PRO  13  -3.200  -6.365   2.096
   73    HD2  PRO  13           1HD      PRO  13  -3.053  -5.499  -0.493
   74    HD3  PRO  13           2HD      PRO  13  -1.614  -5.531   0.570
   75    H    VAL  14           H        VAL  14  -3.563  -7.792  -2.095
   76    HA   VAL  14           HA       VAL  14  -4.885 -10.483  -2.248
   77    HB   VAL  14           HB       VAL  14  -5.951  -7.800  -3.150
   78   HG11  VAL  14          1HG1      VAL  14  -6.994  -9.642  -4.393
   79   HG12  VAL  14          2HG1      VAL  14  -7.303 -10.519  -2.876
   80   HG13  VAL  14          3HG1      VAL  14  -8.138  -8.990  -3.223
   81   HG21  VAL  14          3HG2      VAL  14  -7.497  -8.021  -1.204
   82   HG22  VAL  14          1HG2      VAL  14  -6.555  -9.417  -0.639
   83   HG23  VAL  14          2HG2      VAL  14  -5.819  -7.800  -0.717
   84    H    CYS  15           H        CYS  15  -3.447  -7.946  -4.329
   85    HA   CYS  15           HA       CYS  15  -3.464  -9.898  -6.585
   86    HB2  CYS  15           1HB      CYS  15  -4.100  -8.235  -8.116
   87    HB3  CYS  15           2HB      CYS  15  -5.317  -8.344  -6.847
   88    H    GLU  16           H        GLU  16  -1.421  -8.325  -4.661
   89    HA   GLU  16           HA       GLU  16   0.765  -7.862  -4.641
   90    HB2  GLU  16           1HB      GLU  16   0.546 -10.296  -5.558
   91    HB3  GLU  16           2HB      GLU  16   1.238  -9.618  -7.032
   92    HG2  GLU  16           1HG      GLU  16   3.214  -8.836  -5.692
   93    HG3  GLU  16           2HG      GLU  16   2.453  -9.455  -4.230
   94    H    LYS  17           H        LYS  17  -0.929  -6.172  -6.599
   95    HA   LYS  17           HA       LYS  17   0.970  -4.945  -8.390
   96    HB2  LYS  17           1HB      LYS  17  -1.509  -4.698  -8.506
   97    HB3  LYS  17           2HB      LYS  17  -1.476  -3.716  -7.041
   98    HG2  LYS  17           1HG      LYS  17  -0.147  -1.999  -8.138
   99    HG3  LYS  17           2HG      LYS  17   0.086  -3.007  -9.569
  100    HD2  LYS  17           1HD      LYS  17  -2.630  -1.985  -8.627
  101    HD3  LYS  17           2HD      LYS  17  -1.608  -1.170  -9.823
  102    HE2  LYS  17           1HE      LYS  17  -1.651  -3.250 -11.230
  103    HE3  LYS  17           2HE      LYS  17  -2.778  -3.979 -10.079
  104    HZ1  LYS  17           3HZ      LYS  17  -4.345  -2.172 -10.582
  105    HZ2  LYS  17           1HZ      LYS  17  -3.949  -2.969 -11.948
  106    HZ3  LYS  17           2HZ      LYS  17  -3.297  -1.506 -11.646
  107    H    SER  18           H        SER  18   2.461  -3.350  -8.081
  108    HA   SER  18           HA       SER  18   3.205  -2.787  -5.272
  109    HB2  SER  18           1HB      SER  18   4.872  -2.543  -7.784
  110    HB3  SER  18           2HB      SER  18   5.436  -2.308  -6.119
  111    HG   SER  18           HG       SER  18   4.898  -4.487  -5.685
  112    H    PHE  19           H        PHE  19   3.791  -0.833  -4.486
  113    HA   PHE  19           HA       PHE  19   3.111   1.661  -5.974
  114    HB2  PHE  19           1HB      PHE  19   2.110   0.825  -3.222
  115    HB3  PHE  19           2HB      PHE  19   1.839   2.390  -3.972
  116    HD1  PHE  19           2HD      PHE  19   0.332   2.632  -5.935
  117    HD2  PHE  19           1HD      PHE  19   0.818  -1.153  -3.923
  118    HE1  PHE  19           2HE      PHE  19  -1.681   1.755  -7.094
  119    HE2  PHE  19           1HE      PHE  19  -1.181  -2.035  -5.108
  120    HZ   PHE  19           HZ       PHE  19  -2.422  -0.581  -6.697
  121    H    SER  20           H        SER  20   4.155   3.531  -5.246
  122    HA   SER  20           HA       SER  20   6.714   3.064  -3.925
  123    HB2  SER  20           1HB      SER  20   5.545   5.622  -5.066
  124    HB3  SER  20           2HB      SER  20   7.242   5.326  -4.641
  125    HG   SER  20           HG       SER  20   6.850   5.027  -6.888
  126    H    GLU  21           H        GLU  21   3.670   4.248  -2.761
  127    HA   GLU  21           HA       GLU  21   4.907   5.229  -0.244
  128    HB2  GLU  21           1HB      GLU  21   2.920   6.824  -1.899
  129    HB3  GLU  21           2HB      GLU  21   3.435   7.223  -0.272
  130    HG2  GLU  21           1HG      GLU  21   5.228   7.191  -2.729
  131    HG3  GLU  21           2HG      GLU  21   4.503   8.608  -1.994
  132    H    ASP  22           H        ASP  22   3.508   5.241   1.562
  133    HA   ASP  22           HA       ASP  22   1.883   2.963   1.689
  134    HB2  ASP  22           1HB      ASP  22   1.577   3.465   3.954
  135    HB3  ASP  22           2HB      ASP  22   3.179   4.069   3.551
  136    H    ARG  23           H        ARG  23   0.853   6.356   1.371
  137    HA   ARG  23           HA       ARG  23  -1.957   5.803   1.652
  138    HB2  ARG  23           1HB      ARG  23  -2.372   8.050   1.061
  139    HB3  ARG  23           2HB      ARG  23  -1.008   7.999   2.150
  140    HG2  ARG  23           1HG      ARG  23  -0.929   8.462  -0.867
  141    HG3  ARG  23           2HG      ARG  23  -0.808   9.693   0.381
  142    HD2  ARG  23           1HD      ARG  23   1.208   7.550  -0.304
  143    HD3  ARG  23           2HD      ARG  23   1.370   9.286  -0.505
  144    HE   ARG  23           HE       ARG  23   1.812   7.741   1.969
  145   HH11  ARG  23          2HH1      ARG  23   1.249  11.041   0.885
  146   HH12  ARG  23          1HH1      ARG  23   1.824  11.667   2.406
  147   HH21  ARG  23          2HH2      ARG  23   2.404   8.507   3.717
  148   HH22  ARG  23          1HH2      ARG  23   2.503  10.243   4.024
  149    H    LEU  24           H        LEU  24   0.130   5.386  -1.065
  150    HA   LEU  24           HA       LEU  24  -2.018   5.449  -3.071
  151    HB2  LEU  24           1HB      LEU  24   0.829   4.389  -3.231
  152    HB3  LEU  24           2HB      LEU  24  -0.277   4.573  -4.586
  153    HG   LEU  24           HG       LEU  24   0.801   6.867  -2.890
  154   HD11  LEU  24          1HD1      LEU  24   2.537   5.782  -4.272
  155   HD12  LEU  24          2HD1      LEU  24   2.150   7.402  -4.869
  156   HD13  LEU  24          3HD1      LEU  24   1.512   5.972  -5.714
  157   HD21  LEU  24          3HD2      LEU  24  -0.092   8.307  -4.704
  158   HD22  LEU  24          1HD2      LEU  24  -1.378   7.458  -3.845
  159   HD23  LEU  24          2HD2      LEU  24  -0.856   6.885  -5.449
  160    H    ILE  25           H        ILE  25  -0.141   2.873  -1.375
  161    HA   ILE  25           HA       ILE  25  -1.768   0.766  -2.504
  162    HB   ILE  25           HB       ILE  25   0.455   0.277  -1.733
  163   HG12  ILE  25          1HG1      ILE  25  -1.621  -1.226  -0.097
  164   HG13  ILE  25          2HG1      ILE  25  -1.346  -1.460  -1.827
  165   HG21  ILE  25          1HG2      ILE  25  -0.538   0.744   1.107
  166   HG22  ILE  25          2HG2      ILE  25   1.057   0.140   0.644
  167   HG23  ILE  25          3HG2      ILE  25   0.614   1.772   0.207
  168   HD11  ILE  25          3HD1      ILE  25   0.653  -2.028   0.402
  169   HD12  ILE  25          1HD1      ILE  25  -0.237  -3.197  -0.562
  170   HD13  ILE  25          2HD1      ILE  25   0.986  -2.169  -1.346
  171    H    LYS  26           H        LYS  26  -2.018   2.593   0.608
  172    HA   LYS  26           HA       LYS  26  -4.308   1.212   1.620
  173    HB2  LYS  26           1HB      LYS  26  -3.375   4.090   1.901
  174    HB3  LYS  26           2HB      LYS  26  -4.788   3.468   2.752
  175    HG2  LYS  26           1HG      LYS  26  -3.515   1.881   4.000
  176    HG3  LYS  26           2HG      LYS  26  -2.074   2.119   3.008
  177    HD2  LYS  26           1HD      LYS  26  -1.904   4.471   3.809
  178    HD3  LYS  26           2HD      LYS  26  -3.331   4.217   4.835
  179    HE2  LYS  26           1HE      LYS  26  -2.154   2.461   6.087
  180    HE3  LYS  26           2HE      LYS  26  -0.761   2.580   5.004
  181    HZ1  LYS  26           3HZ      LYS  26  -1.703   4.798   6.742
  182    HZ2  LYS  26           1HZ      LYS  26  -0.371   4.829   5.780
  183    HZ3  LYS  26           2HZ      LYS  26  -0.426   3.835   7.074
  184    H    SER  27           H        SER  27  -4.200   4.017  -0.623
  185    HA   SER  27           HA       SER  27  -7.030   4.204  -1.012
  186    HB2  SER  27           1HB      SER  27  -4.778   4.911  -2.938
  187    HB3  SER  27           2HB      SER  27  -6.482   5.368  -3.118
  188    HG   SER  27           HG       SER  27  -4.616   6.176  -1.146
  189    H    HIS  28           H        HIS  28  -4.560   2.298  -2.854
  190    HA   HIS  28           HA       HIS  28  -6.365   1.179  -4.731
  191    HB2  HIS  28           1HB      HIS  28  -4.013   0.970  -5.112
  192    HB3  HIS  28           2HB      HIS  28  -3.743   0.181  -3.564
  193    HD1  HIS  28           1HD      HIS  28  -5.505  -0.651  -6.918
  194    HD2  HIS  28           2HD      HIS  28  -3.887  -2.431  -3.473
  195    HE1  HIS  28           1HE      HIS  28  -5.601  -3.150  -7.325
  196    H    ILE  29           H        ILE  29  -5.305  -0.244  -1.592
  197    HA   ILE  29           HA       ILE  29  -6.907  -2.584  -1.848
  198    HB   ILE  29           HB       ILE  29  -5.901  -1.197   0.665
  199   HG12  ILE  29          1HG1      ILE  29  -4.762  -3.588  -0.877
  200   HG13  ILE  29          2HG1      ILE  29  -4.102  -1.962  -0.949
  201   HG21  ILE  29          1HG2      ILE  29  -7.792  -2.788   1.141
  202   HG22  ILE  29          2HG2      ILE  29  -6.883  -4.073   0.321
  203   HG23  ILE  29          3HG2      ILE  29  -6.279  -3.331   1.820
  204   HD11  ILE  29          3HD1      ILE  29  -2.741  -3.218   0.544
  205   HD12  ILE  29          1HD1      ILE  29  -3.654  -2.044   1.513
  206   HD13  ILE  29          2HD1      ILE  29  -4.125  -3.763   1.491
  207    H    LYS  30           H        LYS  30  -7.765   0.644  -0.450
  208    HA   LYS  30           HA       LYS  30 -10.307  -0.211   0.523
  209    HB2  LYS  30           1HB      LYS  30  -8.837   1.656   1.346
  210    HB3  LYS  30           2HB      LYS  30  -9.238   2.581  -0.119
  211    HG2  LYS  30           1HG      LYS  30 -11.572   2.528   0.465
  212    HG3  LYS  30           2HG      LYS  30 -11.258   1.452   1.837
  213    HD2  LYS  30           1HD      LYS  30  -9.802   3.332   2.823
  214    HD3  LYS  30           2HD      LYS  30 -10.443   4.365   1.537
  215    HE2  LYS  30           1HE      LYS  30 -11.858   4.814   3.363
  216    HE3  LYS  30           2HE      LYS  30 -12.791   3.701   2.359
  217    HZ1  LYS  30           3HZ      LYS  30 -11.277   2.997   4.821
  218    HZ2  LYS  30           1HZ      LYS  30 -12.012   1.876   3.895
  219    HZ3  LYS  30           2HZ      LYS  30 -12.897   3.016   4.663
  220    H    THR  31           H        THR  31  -9.307   1.129  -2.632
  221    HA   THR  31           HA       THR  31 -12.081   1.403  -3.536
  222    HB   THR  31           HB       THR  31 -10.956   2.046  -5.669
  223    HG1  THR  31           1HG      THR  31  -8.596   2.212  -4.174
  224   HG21  THR  31          3HG2      THR  31 -10.113   3.607  -3.194
  225   HG22  THR  31          1HG2      THR  31 -11.642   3.773  -4.079
  226   HG23  THR  31          2HG2      THR  31 -10.117   4.220  -4.864
  227    H    ASN  32           H        ASN  32  -9.514  -1.009  -3.897
  228    HA   ASN  32           HA       ASN  32 -11.080  -2.399  -6.028
  229    HB2  ASN  32           1HB      ASN  32  -8.168  -2.616  -5.164
  230    HB3  ASN  32           2HB      ASN  32  -8.931  -3.651  -6.356
  231   HD21  ASN  32          1HD2      ASN  32  -8.253  -0.172  -5.712
  232   HD22  ASN  32          2HD2      ASN  32  -8.203   0.244  -7.416
  233    H    HIS  33           H        HIS  33 -10.136  -2.882  -2.660
  234    HA   HIS  33           HA       HIS  33 -11.218  -5.665  -2.758
  235    HB2  HIS  33           1HB      HIS  33  -8.769  -4.796  -1.202
  236    HB3  HIS  33           2HB      HIS  33  -9.400  -6.427  -1.412
  237    HD1  HIS  33           1HD      HIS  33  -9.597  -6.667  -4.532
  238    HD2  HIS  33           2HD      HIS  33  -6.538  -4.668  -2.472
  239    HE1  HIS  33           1HE      HIS  33  -7.640  -6.569  -6.141
  240    HA   PRO  34           HA       PRO  34 -13.456  -2.826   0.202
  241    HB2  PRO  34           1HB      PRO  34 -15.572  -4.859  -0.522
  242    HB3  PRO  34           2HB      PRO  34 -15.775  -3.102  -0.199
  243    HG2  PRO  34           1HG      PRO  34 -15.697  -3.967  -2.748
  244    HG3  PRO  34           2HG      PRO  34 -14.696  -2.547  -2.289
  245    HD2  PRO  34           1HD      PRO  34 -13.834  -5.436  -2.594
  246    HD3  PRO  34           2HD      PRO  34 -13.059  -3.944  -3.182
  247    H    GLU  35           H        GLU  35 -13.231  -6.365   0.330
  248    HA   GLU  35           HA       GLU  35 -14.266  -6.592   3.044
  249    HB2  GLU  35           1HB      GLU  35 -13.690  -8.920   2.878
  250    HB3  GLU  35           2HB      GLU  35 -14.501  -8.391   1.408
  251    HG2  GLU  35           1HG      GLU  35 -12.267  -8.220   0.268
  252    HG3  GLU  35           2HG      GLU  35 -11.499  -8.824   1.740
  253    H    VAL  36           H        VAL  36 -11.419  -5.283   1.976
  254    HA   VAL  36           HA       VAL  36  -9.758  -6.268   4.246
  255    HB   VAL  36           HB       VAL  36  -8.795  -4.934   1.707
  256   HG11  VAL  36          1HG1      VAL  36  -7.411  -6.757   3.725
  257   HG12  VAL  36          2HG1      VAL  36  -6.672  -6.072   2.262
  258   HG13  VAL  36          3HG1      VAL  36  -7.172  -5.002   3.574
  259   HG21  VAL  36          3HG2      VAL  36  -9.969  -6.930   0.960
  260   HG22  VAL  36          1HG2      VAL  36  -8.230  -7.213   0.880
  261   HG23  VAL  36          2HG2      VAL  36  -9.174  -7.910   2.216
  262    H    SER  37           H        SER  37 -10.694  -3.320   2.542
  263    HA   SER  37           HA       SER  37 -10.160  -1.634   4.925
  264    HB2  SER  37           1HB      SER  37  -8.993  -1.043   2.174
  265    HB3  SER  37           2HB      SER  37  -8.996   0.073   3.547
  266    HG   SER  37           HG       SER  37  -7.814  -1.604   4.725
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  21.272   4.036  -2.631
    2    H2   GLY   1           2H       GLY   1  22.853   3.608  -2.635
    3    H3   GLY   1           3H       GLY   1  22.133   4.079  -1.239
    4    HA2  GLY   1           1HA      GLY   1  21.463   1.645  -2.764
    5    HA3  GLY   1           2HA      GLY   1  22.422   1.683  -1.272
    6    H    SER   2           H        SER   2  19.844   0.316  -1.837
    7    HA   SER   2           HA       SER   2  17.623   1.726  -0.769
    8    HB2  SER   2           1HB      SER   2  16.563  -0.518  -0.663
    9    HB3  SER   2           2HB      SER   2  17.338  -0.169  -2.217
   10    HG   SER   2           HG       SER   2  17.848  -2.278  -1.447
   11    H    SER   3           H        SER   3  20.164   0.030   0.962
   12    HA   SER   3           HA       SER   3  18.891  -0.306   3.480
   13    HB2  SER   3           1HB      SER   3  21.818   0.300   2.916
   14    HB3  SER   3           2HB      SER   3  21.153  -0.441   4.384
   15    HG   SER   3           HG       SER   3  21.976  -2.014   2.929
   16    H    GLY   4           H        GLY   4  19.801   2.666   1.932
   17    HA2  GLY   4           1HA      GLY   4  20.259   4.312   4.250
   18    HA3  GLY   4           2HA      GLY   4  19.835   4.849   2.623
   19    H    SER   5           H        SER   5  17.354   2.851   3.234
   20    HA   SER   5           HA       SER   5  15.165   3.099   3.716
   21    HB2  SER   5           1HB      SER   5  16.154   4.557   6.177
   22    HB3  SER   5           2HB      SER   5  14.555   3.830   5.950
   23    HG   SER   5           HG       SER   5  17.066   2.476   5.937
   24    H    SER   6           H        SER   6  16.259   5.198   1.997
   25    HA   SER   6           HA       SER   6  14.800   7.652   2.496
   26    HB2  SER   6           1HB      SER   6  16.178   6.670  -0.029
   27    HB3  SER   6           2HB      SER   6  15.633   8.328   0.303
   28    HG   SER   6           HG       SER   6  17.862   8.059   0.761
   29    H    GLY   7           H        GLY   7  12.778   6.268   2.857
   30    HA2  GLY   7           1HA      GLY   7  10.542   5.969   2.180
   31    HA3  GLY   7           2HA      GLY   7  10.969   6.326   0.507
   32    H    ARG   8           H        ARG   8   9.303   4.257   0.893
   33    HA   ARG   8           HA       ARG   8  10.882   1.839   0.206
   34    HB2  ARG   8           1HB      ARG   8  10.028   2.114   2.816
   35    HB3  ARG   8           2HB      ARG   8   8.581   1.443   2.099
   36    HG2  ARG   8           1HG      ARG   8   9.605  -0.505   2.703
   37    HG3  ARG   8           2HG      ARG   8  10.312  -0.359   1.101
   38    HD2  ARG   8           1HD      ARG   8  11.567   0.326   3.789
   39    HD3  ARG   8           2HD      ARG   8  12.039  -0.958   2.668
   40    HE   ARG   8           HE       ARG   8  12.228   1.869   1.742
   41   HH11  ARG   8          2HH1      ARG   8  14.151  -0.830   2.954
   42   HH12  ARG   8          1HH1      ARG   8  15.622  -0.064   2.380
   43   HH21  ARG   8          2HH2      ARG   8  14.060   2.653   1.037
   44   HH22  ARG   8          1HH2      ARG   8  15.581   1.789   1.322
   45    H    SER   9           H        SER   9   9.717   0.204  -0.859
   46    HA   SER   9           HA       SER   9   7.225   1.082  -2.247
   47    HB2  SER   9           1HB      SER   9   9.172   0.428  -3.651
   48    HB3  SER   9           2HB      SER   9   9.098  -1.199  -2.949
   49    HG   SER   9           HG       SER   9   7.951  -1.010  -4.949
   50    H    TYR  10           H        TYR  10   5.429  -0.245  -2.293
   51    HA   TYR  10           HA       TYR  10   5.212  -2.374  -0.198
   52    HB2  TYR  10           1HB      TYR  10   3.150  -0.239  -0.843
   53    HB3  TYR  10           2HB      TYR  10   3.065  -1.451   0.428
   54    HD1  TYR  10           1HD      TYR  10   4.655  -1.317   2.406
   55    HD2  TYR  10           2HD      TYR  10   4.318   1.838  -0.519
   56    HE1  TYR  10           1HE      TYR  10   5.780   0.264   3.973
   57    HE2  TYR  10           2HE      TYR  10   5.457   3.406   1.040
   58    HH   TYR  10           HH       TYR  10   6.412   3.684   3.108
   59    H    SER  11           H        SER  11   3.759  -4.060  -0.609
   60    HA   SER  11           HA       SER  11   2.809  -4.322  -3.440
   61    HB2  SER  11           1HB      SER  11   3.894  -6.478  -1.606
   62    HB3  SER  11           2HB      SER  11   3.266  -6.717  -3.247
   63    HG   SER  11           HG       SER  11   5.562  -6.532  -3.203
   64    H    CYS  12           H        CYS  12   0.753  -4.842  -3.793
   65    HA   CYS  12           HA       CYS  12  -1.253  -4.697  -1.904
   66    HB2  CYS  12           1HB      CYS  12  -1.596  -4.368  -4.255
   67    HB3  CYS  12           2HB      CYS  12  -1.205  -6.062  -4.594
   68    HA   PRO  13           HA       PRO  13  -1.053  -8.777   0.021
   69    HB2  PRO  13           1HB      PRO  13  -3.196  -8.608   1.715
   70    HB3  PRO  13           2HB      PRO  13  -1.676  -7.703   1.965
   71    HG2  PRO  13           1HG      PRO  13  -4.245  -6.704   0.707
   72    HG3  PRO  13           2HG      PRO  13  -3.243  -5.913   1.959
   73    HD2  PRO  13           1HD      PRO  13  -3.048  -5.294  -0.701
   74    HD3  PRO  13           2HD      PRO  13  -1.631  -5.252   0.389
   75    H    VAL  14           H        VAL  14  -3.409  -7.789  -2.234
   76    HA   VAL  14           HA       VAL  14  -4.768 -10.475  -2.200
   77    HB   VAL  14           HB       VAL  14  -5.939  -7.822  -3.067
   78   HG11  VAL  14          1HG1      VAL  14  -7.224 -10.565  -2.709
   79   HG12  VAL  14          2HG1      VAL  14  -8.100  -9.052  -3.032
   80   HG13  VAL  14          3HG1      VAL  14  -7.000  -9.700  -4.248
   81   HG21  VAL  14          3HG2      VAL  14  -6.364  -9.446  -0.522
   82   HG22  VAL  14          1HG2      VAL  14  -5.696  -7.804  -0.645
   83   HG23  VAL  14          2HG2      VAL  14  -7.388  -8.083  -1.032
   84    H    CYS  15           H        CYS  15  -3.402  -7.969  -4.365
   85    HA   CYS  15           HA       CYS  15  -3.387  -9.996  -6.543
   86    HB2  CYS  15           1HB      CYS  15  -4.178  -8.528  -8.136
   87    HB3  CYS  15           2HB      CYS  15  -5.344  -8.543  -6.816
   88    H    GLU  16           H        GLU  16  -1.408  -8.478  -4.720
   89    HA   GLU  16           HA       GLU  16   0.799  -8.031  -4.674
   90    HB2  GLU  16           1HB      GLU  16   0.860  -9.917  -7.043
   91    HB3  GLU  16           2HB      GLU  16   2.233  -9.490  -6.014
   92    HG2  GLU  16           1HG      GLU  16   1.018 -10.395  -4.030
   93    HG3  GLU  16           2HG      GLU  16  -0.283 -10.939  -5.094
   94    H    LYS  17           H        LYS  17  -0.776  -6.202  -6.619
   95    HA   LYS  17           HA       LYS  17   1.240  -5.081  -8.373
   96    HB2  LYS  17           1HB      LYS  17  -1.339  -3.957  -7.222
   97    HB3  LYS  17           2HB      LYS  17  -0.325  -3.069  -8.371
   98    HG2  LYS  17           1HG      LYS  17  -0.595  -4.753 -10.080
   99    HG3  LYS  17           2HG      LYS  17  -1.354  -5.861  -8.940
  100    HD2  LYS  17           1HD      LYS  17  -3.239  -4.139  -8.680
  101    HD3  LYS  17           2HD      LYS  17  -2.501  -3.252 -10.014
  102    HE2  LYS  17           1HE      LYS  17  -4.328  -4.643 -10.834
  103    HE3  LYS  17           2HE      LYS  17  -2.794  -5.215 -11.501
  104    HZ1  LYS  17           3HZ      LYS  17  -2.808  -7.022  -9.923
  105    HZ2  LYS  17           1HZ      LYS  17  -4.289  -7.010 -10.621
  106    HZ3  LYS  17           2HZ      LYS  17  -4.071  -6.423  -9.096
  107    H    SER  18           H        SER  18   2.398  -3.198  -8.195
  108    HA   SER  18           HA       SER  18   3.497  -2.775  -5.469
  109    HB2  SER  18           1HB      SER  18   4.729  -2.114  -8.156
  110    HB3  SER  18           2HB      SER  18   5.521  -2.034  -6.572
  111    HG   SER  18           HG       SER  18   5.981  -3.992  -7.717
  112    H    PHE  19           H        PHE  19   3.771  -0.835  -4.496
  113    HA   PHE  19           HA       PHE  19   2.959   1.690  -5.877
  114    HB2  PHE  19           1HB      PHE  19   2.042   0.789  -3.126
  115    HB3  PHE  19           2HB      PHE  19   1.645   2.313  -3.903
  116    HD1  PHE  19           2HD      PHE  19   0.077   2.386  -5.846
  117    HD2  PHE  19           1HD      PHE  19   0.920  -1.295  -3.761
  118    HE1  PHE  19           2HE      PHE  19  -1.839   1.294  -6.990
  119    HE2  PHE  19           1HE      PHE  19  -0.987  -2.379  -4.912
  120    HZ   PHE  19           HZ       PHE  19  -2.346  -1.100  -6.555
  121    H    SER  20           H        SER  20   4.298   3.366  -5.490
  122    HA   SER  20           HA       SER  20   6.631   3.017  -3.798
  123    HB2  SER  20           1HB      SER  20   5.749   5.441  -5.400
  124    HB3  SER  20           2HB      SER  20   7.372   5.122  -4.759
  125    HG   SER  20           HG       SER  20   7.184   4.544  -6.979
  126    H    GLU  21           H        GLU  21   3.615   3.942  -2.862
  127    HA   GLU  21           HA       GLU  21   4.526   5.655  -0.599
  128    HB2  GLU  21           1HB      GLU  21   2.326   6.231  -2.604
  129    HB3  GLU  21           2HB      GLU  21   2.369   6.998  -1.031
  130    HG2  GLU  21           1HG      GLU  21   4.708   7.268  -2.956
  131    HG3  GLU  21           2HG      GLU  21   3.270   8.264  -3.092
  132    H    ASP  22           H        ASP  22   3.387   5.285   1.298
  133    HA   ASP  22           HA       ASP  22   1.851   2.880   1.528
  134    HB2  ASP  22           1HB      ASP  22   1.712   3.349   3.828
  135    HB3  ASP  22           2HB      ASP  22   3.316   3.837   3.299
  136    H    ARG  23           H        ARG  23   0.910   6.291   1.282
  137    HA   ARG  23           HA       ARG  23  -1.917   5.905   1.697
  138    HB2  ARG  23           1HB      ARG  23  -2.152   8.146   0.650
  139    HB3  ARG  23           2HB      ARG  23  -1.004   8.083   1.986
  140    HG2  ARG  23           1HG      ARG  23   0.892   8.084   0.431
  141    HG3  ARG  23           2HG      ARG  23  -0.207   8.061  -0.963
  142    HD2  ARG  23           1HD      ARG  23  -1.061  10.249  -0.404
  143    HD3  ARG  23           2HD      ARG  23  -0.192  10.258   1.145
  144    HE   ARG  23           HE       ARG  23   1.884   9.949  -0.578
  145   HH11  ARG  23          1HH1      ARG  23  -0.662  12.376  -0.650
  146   HH12  ARG  23          2HH1      ARG  23   0.395  13.530  -1.420
  147   HH21  ARG  23          2HH2      ARG  23   3.080  11.337  -1.462
  148   HH22  ARG  23          1HH2      ARG  23   2.528  12.961  -1.893
  149    H    LEU  24           H        LEU  24   0.054   5.371  -1.170
  150    HA   LEU  24           HA       LEU  24  -2.290   5.288  -2.946
  151    HB2  LEU  24           1HB      LEU  24   0.618   4.548  -3.413
  152    HB3  LEU  24           2HB      LEU  24  -0.647   4.465  -4.635
  153    HG   LEU  24           HG       LEU  24   0.292   7.010  -3.246
  154   HD11  LEU  24          1HD1      LEU  24   0.596   6.056  -6.127
  155   HD12  LEU  24          2HD1      LEU  24   1.884   6.035  -4.907
  156   HD13  LEU  24          3HD1      LEU  24   1.205   7.580  -5.444
  157   HD21  LEU  24          3HD2      LEU  24  -1.082   8.179  -4.967
  158   HD22  LEU  24          1HD2      LEU  24  -2.058   7.286  -3.804
  159   HD23  LEU  24          2HD2      LEU  24  -1.789   6.616  -5.434
  160    H    ILE  25           H        ILE  25  -0.183   2.802  -1.375
  161    HA   ILE  25           HA       ILE  25  -1.784   0.647  -2.457
  162    HB   ILE  25           HB       ILE  25   0.461   0.216  -1.647
  163   HG12  ILE  25          1HG1      ILE  25  -1.645  -1.350  -0.105
  164   HG13  ILE  25          2HG1      ILE  25  -1.301  -1.553  -1.826
  165   HG21  ILE  25          1HG2      ILE  25   0.479   1.701   0.320
  166   HG22  ILE  25          2HG2      ILE  25  -0.619   0.586   1.178
  167   HG23  ILE  25          3HG2      ILE  25   1.020   0.085   0.722
  168   HD11  ILE  25          3HD1      ILE  25   1.012  -2.246  -1.280
  169   HD12  ILE  25          1HD1      ILE  25   0.640  -2.102   0.459
  170   HD13  ILE  25          2HD1      ILE  25  -0.221  -3.281  -0.524
  171    H    LYS  26           H        LYS  26  -2.062   2.533   0.624
  172    HA   LYS  26           HA       LYS  26  -4.370   1.098   1.568
  173    HB2  LYS  26           1HB      LYS  26  -3.399   3.946   2.020
  174    HB3  LYS  26           2HB      LYS  26  -4.840   3.309   2.802
  175    HG2  LYS  26           1HG      LYS  26  -2.088   2.025   3.076
  176    HG3  LYS  26           2HG      LYS  26  -2.749   3.221   4.192
  177    HD2  LYS  26           1HD      LYS  26  -4.715   1.667   4.577
  178    HD3  LYS  26           2HD      LYS  26  -3.864   0.430   3.644
  179    HE2  LYS  26           1HE      LYS  26  -2.818   1.794   6.168
  180    HE3  LYS  26           2HE      LYS  26  -3.604   0.216   6.125
  181    HZ1  LYS  26           3HZ      LYS  26  -1.041   0.872   4.770
  182    HZ2  LYS  26           1HZ      LYS  26  -1.786  -0.587   4.709
  183    HZ3  LYS  26           2HZ      LYS  26  -1.203  -0.022   6.123
  184    H    SER  27           H        SER  27  -4.191   3.912  -0.651
  185    HA   SER  27           HA       SER  27  -7.023   4.138  -1.038
  186    HB2  SER  27           1HB      SER  27  -4.763   4.783  -2.973
  187    HB3  SER  27           2HB      SER  27  -6.461   5.258  -3.163
  188    HG   SER  27           HG       SER  27  -4.628   6.043  -1.137
  189    H    HIS  28           H        HIS  28  -4.593   2.137  -2.822
  190    HA   HIS  28           HA       HIS  28  -6.447   0.970  -4.650
  191    HB2  HIS  28           1HB      HIS  28  -4.056   0.843  -5.001
  192    HB3  HIS  28           2HB      HIS  28  -3.818  -0.026  -3.491
  193    HD1  HIS  28           1HD      HIS  28  -5.628  -0.670  -6.873
  194    HD2  HIS  28           2HD      HIS  28  -3.746  -2.608  -3.652
  195    HE1  HIS  28           1HE      HIS  28  -5.550  -3.125  -7.500
  196    H    ILE  29           H        ILE  29  -5.363  -0.214  -1.430
  197    HA   ILE  29           HA       ILE  29  -7.046  -2.526  -1.375
  198    HB   ILE  29           HB       ILE  29  -5.903  -0.832   0.874
  199   HG12  ILE  29          1HG1      ILE  29  -5.070  -3.579  -0.201
  200   HG13  ILE  29          2HG1      ILE  29  -4.282  -2.074  -0.654
  201   HG21  ILE  29          1HG2      ILE  29  -6.439  -2.763   2.369
  202   HG22  ILE  29          2HG2      ILE  29  -7.893  -2.035   1.722
  203   HG23  ILE  29          3HG2      ILE  29  -7.291  -3.551   1.021
  204   HD11  ILE  29          3HD1      ILE  29  -2.937  -3.107   1.015
  205   HD12  ILE  29          1HD1      ILE  29  -3.687  -1.675   1.746
  206   HD13  ILE  29          2HD1      ILE  29  -4.300  -3.307   2.119
  207    H    LYS  30           H        LYS  30  -7.751   0.870  -0.321
  208    HA   LYS  30           HA       LYS  30 -10.399   0.207   0.631
  209    HB2  LYS  30           1HB      LYS  30  -9.048   2.817  -0.131
  210    HB3  LYS  30           2HB      LYS  30 -10.722   2.747   0.437
  211    HG2  LYS  30           1HG      LYS  30 -10.080   1.780   2.558
  212    HG3  LYS  30           2HG      LYS  30  -8.424   1.534   2.027
  213    HD2  LYS  30           1HD      LYS  30  -8.504   3.461   3.500
  214    HD3  LYS  30           2HD      LYS  30  -8.052   3.952   1.872
  215    HE2  LYS  30           1HE      LYS  30  -9.563   5.595   2.730
  216    HE3  LYS  30           2HE      LYS  30 -10.399   4.715   1.452
  217    HZ1  LYS  30           3HZ      LYS  30 -11.803   5.025   3.420
  218    HZ2  LYS  30           1HZ      LYS  30 -10.743   4.234   4.371
  219    HZ3  LYS  30           2HZ      LYS  30 -11.546   3.431   3.194
  220    H    THR  31           H        THR  31  -9.319   1.135  -2.629
  221    HA   THR  31           HA       THR  31 -12.070   1.454  -3.587
  222    HB   THR  31           HB       THR  31 -10.889   1.835  -5.760
  223    HG1  THR  31           1HG      THR  31  -8.543   2.041  -4.255
  224   HG21  THR  31          3HG2      THR  31 -10.022   3.583  -3.422
  225   HG22  THR  31          1HG2      THR  31 -11.508   3.745  -4.380
  226   HG23  THR  31          2HG2      THR  31  -9.932   4.031  -5.140
  227    H    ASN  32           H        ASN  32  -9.443  -0.907  -4.038
  228    HA   ASN  32           HA       ASN  32 -11.170  -2.519  -5.866
  229    HB2  ASN  32           1HB      ASN  32  -8.172  -2.538  -5.310
  230    HB3  ASN  32           2HB      ASN  32  -9.000  -3.714  -6.311
  231   HD21  ASN  32          1HD2      ASN  32  -8.595  -0.092  -6.085
  232   HD22  ASN  32          2HD2      ASN  32  -8.597   0.076  -7.830
  233    H    HIS  33           H        HIS  33  -9.651  -2.700  -2.658
  234    HA   HIS  33           HA       HIS  33 -11.091  -5.254  -2.124
  235    HB2  HIS  33           1HB      HIS  33  -8.232  -5.000  -1.151
  236    HB3  HIS  33           2HB      HIS  33  -9.163  -6.456  -1.483
  237    HD1  HIS  33           1HD      HIS  33  -9.497  -6.604  -4.483
  238    HD2  HIS  33           2HD      HIS  33  -6.251  -4.677  -2.646
  239    HE1  HIS  33           1HE      HIS  33  -7.649  -6.549  -6.231
  240    HA   PRO  34           HA       PRO  34 -12.097  -3.502   1.552
  241    HB2  PRO  34           1HB      PRO  34 -14.637  -2.793   1.078
  242    HB3  PRO  34           2HB      PRO  34 -13.324  -1.602   0.818
  243    HG2  PRO  34           1HG      PRO  34 -14.797  -3.248  -1.241
  244    HG3  PRO  34           2HG      PRO  34 -14.293  -1.529  -1.327
  245    HD2  PRO  34           1HD      PRO  34 -12.906  -3.771  -2.316
  246    HD3  PRO  34           2HD      PRO  34 -12.195  -2.127  -2.069
  247    H    GLU  35           H        GLU  35 -14.470  -4.570   1.632
  248    HA   GLU  35           HA       GLU  35 -15.050  -6.582   2.773
  249    HB2  GLU  35           1HB      GLU  35 -16.244  -8.042   1.375
  250    HB3  GLU  35           2HB      GLU  35 -16.472  -6.392   0.821
  251    HG2  GLU  35           1HG      GLU  35 -15.008  -6.773  -1.093
  252    HG3  GLU  35           2HG      GLU  35 -14.555  -8.366  -0.481
  253    H    VAL  36           H        VAL  36 -12.081  -6.840   1.157
  254    HA   VAL  36           HA       VAL  36 -11.461  -9.497   2.324
  255    HB   VAL  36           HB       VAL  36  -9.525  -7.871   0.665
  256   HG11  VAL  36          1HG1      VAL  36  -8.733  -9.948   1.774
  257   HG12  VAL  36          2HG1      VAL  36 -10.022 -10.867   0.958
  258   HG13  VAL  36          3HG1      VAL  36  -8.722 -10.109   0.014
  259   HG21  VAL  36          3HG2      VAL  36 -11.782  -9.562  -0.469
  260   HG22  VAL  36          1HG2      VAL  36 -11.402  -7.862  -0.821
  261   HG23  VAL  36          2HG2      VAL  36 -10.312  -9.119  -1.370
  262    H    SER  37           H        SER  37 -10.530  -6.100   2.558
  263    HA   SER  37           HA       SER  37  -9.058  -6.588   5.097
  264    HB2  SER  37           1HB      SER  37  -7.473  -6.599   3.107
  265    HB3  SER  37           2HB      SER  37  -7.931  -4.912   2.830
  266    HG   SER  37           HG       SER  37  -6.691  -6.049   5.155