*HEADER    TOXIN                                   14-APR-20   7BWI              
*TITLE     SOLUTION STRUCTURE OF RECOMBINANT APETX1                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KAPPA-ACTITOXIN-AEL2A;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: KAPPA-AITX-AEL2A,TOXIN APETX1;                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANTHOPLEURA ELEGANTISSIMA;                      
*SOURCE   3 ORGANISM_COMMON: GREEN AGGREGATING ANEMONE;                          
*SOURCE   4 ORGANISM_TAXID: 6110;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    TOXIN                                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MATSUMURA,N.KOBAYASHI,J.KURITA,Y.NISHIMURA,M.YOKOGAWA,S.IMAI,       
*AUTHOR   2 I.SHIMADA,M.OSAWA                                                    
*REVDAT   1   23-DEC-20 7BWI    0                                                
# Restraints file 1: RST.disang
#
#  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 CG2 OG1 HB
 &rst iat=12,16,20,15, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,22,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=26,30,34,29, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,36,27,28, &end
#
#  chirality for residue 4 atoms:  CA SG HB2 HB3
 &rst iat=40,45,43,44, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=38,46,41,42, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=50,55,53,54, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=48,67,51,52, &end
#
#  chirality for residue 6 atoms:  CA SG HB2 HB3
 &rst iat=71,76,74,75, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=69,77,72,73, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=88,93,91,92, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=90,96,94,95, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=96,102,100,101, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=93,99,97,98, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=86,106,89,90, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=110,114,118,113, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=108,120,111,112, &end
#
#  chirality for residue 10 atoms:  CA CG2 CG1 HB
 &rst iat=124,128,132,127, &end
#
#  chirality for residue 10 atoms:  CB CD1 HG12 HG13
 &rst iat=126,135,133,134, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=122,139,125,126, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=141,146,144,145, &end
#
#  chirality for residue 12 atoms:  CA CG2 CG1 HB
 &rst iat=150,154,158,153, &end
#
#  chirality for residue 12 atoms:  CB CD1 HG12 HG13
 &rst iat=152,161,159,160, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=148,165,151,152, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=169,174,172,173, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=167,186,170,171, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=190,195,193,194, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=188,210,191,192, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=214,219,217,218, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=212,230,215,216, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=232,237,235,236, &end
#
#  chirality for residue 17 atoms:  CA CG2 OG1 HB
 &rst iat=241,245,249,244, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=239,251,242,243, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=257,263,261,262, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=263,269,267,268, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=260,266,264,265, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,273,256,257, &end
#
#  chirality for residue 19 atoms:  CA CG2 OG1 HB
 &rst iat=277,281,285,280, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=275,287,278,279, &end
#
#  chirality for residue 20 atoms:  CA SG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=289,297,292,293, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=309,303,307,308, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=306,300,304,305, &end
#
#  chirality for residue 21 atoms:  CG N HD2 HD3
 &rst iat=303,299,301,302, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=299,311,310,306, &end
#
#  chirality for residue 22 atoms:  CA OG HB2 HB3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=313,322,316,317, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=326,331,329,330, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=324,336,327,328, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=340,345,343,344, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=342,348,346,347, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=345,351,349,350, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=338,360,341,342, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=362,367,365,366, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=369,388,372,373, &end
#
#  chirality for residue 27 atoms:  CA CG2 OG1 HB
 &rst iat=392,396,400,395, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=390,402,393,394, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 29 atoms:  CA OG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=411,420,414,415, &end
#
#  chirality for residue 30 atoms:  CA SG HB2 HB3
 &rst iat=424,429,427,428, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=422,430,425,426, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=432,437,435,436, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=441,446,444,445, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=439,458,442,443, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=462,467,465,466, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=460,478,463,464, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 34 atoms:  CB CD1 CD2 HG
 &rst iat=484,489,493,488, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=480,497,483,484, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=499,504,502,503, &end
#
#  chirality for residue 36 atoms:  CA CG2 CG1 HB
 &rst iat=508,512,516,511, &end
#
#  chirality for residue 36 atoms:  CB CD1 HG12 HG13
 &rst iat=510,519,517,518, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=506,523,509,510, &end
#
#  chirality for residue 37 atoms:  CA SG HB2 HB3
 &rst iat=527,532,530,531, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=525,533,528,529, &end
#
#  chirality for residue 38 atoms:  CA SG HB2 HB3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=535,543,538,539, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=547,552,550,551, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=545,564,548,549, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=576,570,574,575, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=573,567,571,572, &end
#
#  chirality for residue 40 atoms:  CG N HD2 HD3
 &rst iat=570,566,568,569, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=566,578,577,573, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=582,586,590,585, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=580,594,583,584, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=598,603,601,602, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=596,606,599,600, &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=26,24,22,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=40,38,36,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=50,48,46,40, &end
#
#  trans-omega constraint for residue 6
 &rst iat=71,69,67,50, &end
#
#  trans-omega constraint for residue 7
 &rst iat=81,79,77,71, &end
#
#  trans-omega constraint for residue 8
 &rst iat=88,86,84,81, &end
#
#  trans-omega constraint for residue 9
 &rst iat=110,108,106,88, &end
#
#  trans-omega constraint for residue 10
 &rst iat=124,122,120,110, &end
#
#  trans-omega constraint for residue 11
 &rst iat=143,141,139,124, &end
#
#  trans-omega constraint for residue 12
 &rst iat=150,148,146,143, &end
#
#  trans-omega constraint for residue 13
 &rst iat=169,167,165,150, &end
#
#  trans-omega constraint for residue 14
 &rst iat=190,188,186,169, &end
#
#  trans-omega constraint for residue 15
 &rst iat=214,212,210,190, &end
#
#  trans-omega constraint for residue 16
 &rst iat=234,232,230,214, &end
#
#  trans-omega constraint for residue 17
 &rst iat=241,239,237,234, &end
#
#  trans-omega constraint for residue 18
 &rst iat=255,253,251,241, &end
#
#  trans-omega constraint for residue 19
 &rst iat=277,275,273,255, &end
#
#  trans-omega constraint for residue 20
 &rst iat=291,289,287,277, &end
#
#  trans-omega constraint for residue 21
 &rst iat=309,299,297,291, &end
#
#  trans-omega constraint for residue 22
 &rst iat=315,313,311,309, &end
#
#  trans-omega constraint for residue 23
 &rst iat=326,324,322,315, &end
#
#  trans-omega constraint for residue 24
 &rst iat=340,338,336,326, &end
#
#  trans-omega constraint for residue 25
 &rst iat=364,362,360,340, &end
#
#  trans-omega constraint for residue 26
 &rst iat=371,369,367,364, &end
#
#  trans-omega constraint for residue 27
 &rst iat=392,390,388,371, &end
#
#  trans-omega constraint for residue 28
 &rst iat=406,404,402,392, &end
#
#  trans-omega constraint for residue 29
 &rst iat=413,411,409,406, &end
#
#  trans-omega constraint for residue 30
 &rst iat=424,422,420,413, &end
#
#  trans-omega constraint for residue 31
 &rst iat=434,432,430,424, &end
#
#  trans-omega constraint for residue 32
 &rst iat=441,439,437,434, &end
#
#  trans-omega constraint for residue 33
 &rst iat=462,460,458,441, &end
#
#  trans-omega constraint for residue 34
 &rst iat=482,480,478,462, &end
#
#  trans-omega constraint for residue 35
 &rst iat=501,499,497,482, &end
#
#  trans-omega constraint for residue 36
 &rst iat=508,506,504,501, &end
#
#  trans-omega constraint for residue 37
 &rst iat=527,525,523,508, &end
#
#  trans-omega constraint for residue 38
 &rst iat=537,535,533,527, &end
#
#  trans-omega constraint for residue 39
 &rst iat=547,545,543,537, &end
#
#  trans-omega constraint for residue 40
# &rst iat=576,566,564,547, &end
#
#  trans-omega constraint for residue 41
 &rst iat=582,580,578,576, &end
#
#  trans-omega constraint for residue 42
 &rst iat=598,596,594,582, &end
#
#     27    THR     HN     28    GLY     HN     2.62
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 405, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#     28    GLY     HN     39    TYR     HN     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 546, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#     26    TYR     QD     28    GLY     HN     4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 378, 387,
 &end
#
#     28    GLY     HN     39    TYR     QD     3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 554, 563,
 &end
#
#     26    TYR     HA     28    GLY     HN     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 405, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#     26    TYR    HB3     28    GLY     HN     3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 405, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#     26    TYR    HB2     28    GLY     HN     4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 405, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#     27    THR    QG2     28    GLY     HN     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 397, 398, 399,
 &end
#
#     38    CYS     HN     39    TYR     HA     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 548, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#     36    ILE     HA     37    CYS     HN     2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 526, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#     31    GLY    HA3     37    CYS     HN     5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 526, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#     31    GLY    HA2     37    CYS     HN     4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#     37    CYS     HN     37    CYS    HB2     3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#     32    TYR    HB2     37    CYS     HN     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 526, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#     37    CYS     HN     37    CYS    HB3     3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#     36    ILE     HB     37    CYS     HN     3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#     36    ILE   HG13     37    CYS     HN     3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 526, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#     36    ILE   HG12     37    CYS     HN     3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 526, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#     32    TYR    HB3     35    GLY     HN     4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 500, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#     32    TYR    HB3     33    PHE     HN     4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#     14    TRP    HE1     26    TYR     QE     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 380, 385,
 &end
#
#     14    TRP    HB2     14    TRP    HE1     5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 199, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#     14    TRP    HE1     21    PRO    HD3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     14    TRP    HE1     38    CYS    HB2     3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 540, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#     14    TRP    HE1     38    CYS    HB3     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 541, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#     12    ILE    QG2     14    TRP    HE1     2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 155, 156, 157,
 &end
#
#     35    GLY    HA3     36    ILE     HN     2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 507, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#     14    TRP    HB3     36    ILE     HN     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 507, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#     32    TYR    HB2     36    ILE     HN     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 507, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#     36    ILE     HN     36    ILE     HB     3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#     32    TYR     HN     37    CYS     HN     4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 526, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#     32    TYR     HN     35    GLY     HN     4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 500, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#     32    TYR     HN     36    ILE     HA     3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 509, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#     31    GLY    HA3     32    TYR     HN     3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 440, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#     28    GLY    HA2     29    SER     HN     3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#     31    GLY    HA2     32    TYR     HN     3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#     29    SER     HN     29    SER    HB2     4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#     32    TYR     HN     37    CYS    HB2     5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 530, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#     28    GLY    HA3     29    SER     HN     3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#     32    TYR     HN     32    TYR    HB2     3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#     32    TYR     HN     32    TYR    HB3     3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 445, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#     24    ARG     HN     25    GLY     HN     2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#     25    GLY     HN     26    TYR     HN     3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#     24    ARG    HB2     25    GLY     HN     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#     24    ARG    HB3     25    GLY     HN     4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#     19    THR     HA     20    CYS     HN     2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#     19    THR     HB     20    CYS     HN     3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#     14    TRP    HE3     15    PHE     HN     4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#     14    TRP     HA     15    PHE     HN     2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 213, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99,  &end
#
#     15    PHE     HN     15    PHE    HB2     3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#     17    THR     HB     18    LYS     HN     4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#     18    LYS     HN     18    LYS    HB2     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     18    LYS     HN     18    LYS    HB3     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     17    THR    QG2     18    LYS     HN     4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 246, 247, 248,
 &end
#
#      4    CYS     HN     11    GLY     HN     3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 142, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#      4    CYS     HN     12    ILE     HA     3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 151, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#      3    THR     HB      4    CYS     HN     3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  39, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#      4    CYS     HN     11    GLY    HA3     5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 145, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#      4    CYS     HN      4    CYS    HB3     3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  44, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#      3    THR    QG2      4    CYS     HN     3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=  31,  32,  33,
 &end
#
#      5    TYR     QD      6    CYS     HN     4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  57,  66,
 &end
#
#      6    CYS     HN      6    CYS     HA     2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  72, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#      6    CYS     HN     10    ILE     HA     3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 125, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#      6    CYS     HN      9    THR     HB     3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 113, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#      6    CYS     HN      6    CYS    HB2     3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  74, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#      5    TYR     QB      6    CYS     HN     3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=  53,  54,
 &end
#
#      6    CYS     HN      6    CYS    HB3     3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  75, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#      6    CYS     HN      9    THR     HN     3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 109, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#      9    THR     HN      9    THR     HB     2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 113, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#     12    ILE     HN     41    VAL     HN     5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 581, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#      2    THR     HA      3    THR     HN     2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  25, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#     11    GLY    HA3     12    ILE     HN     2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#     12    ILE     HN     39    TYR    HB3     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 551, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#     12    ILE     HN     38    CYS    HB2     4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 540, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#     12    ILE     HN     41    VAL     HB     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 585, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#     12    ILE     HN     12    ILE     HB     3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#     12    ILE     HN     12    ILE   HG13     4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 160, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#      2    THR    QG2      3    THR     HN     3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=  17,  18,  19,
 &end
#
#     12    ILE     HN     12    ILE    QG2     3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 155, 156, 157,
 &end
#
#     39    TYR     HN     39    TYR     QD     3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 554, 563,
 &end
#
#     29    SER     HA     39    TYR     HN     3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 546, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#     26    TYR     HA     39    TYR     HN     5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 546, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#     29    SER    HB3     39    TYR     HN     4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 546, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#     29    SER    HB2     39    TYR     HN     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 546, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#     26    TYR    HB3     39    TYR     HN     3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 546, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#     26    TYR    HB2     39    TYR     HN     4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 546, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#     39    TYR     HN     39    TYR    HB3     3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#     38    CYS    HB3     39    TYR     HN     3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#     39    TYR    HB2     41    VAL     HN     4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 581, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#     40    PRO    HB2     41    VAL     HN     3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#     40    PRO    HB3     41    VAL     HN     3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#     41    VAL     HN     41    VAL     HB     2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#     24    ARG     HN     26    TYR     HN     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 370, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#     26    TYR     HN     26    TYR     QD     3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 378, 387,
 &end
#
#     24    ARG     HA     26    TYR     HN     5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 370, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#     26    TYR     HN     26    TYR    HB3     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#     26    TYR     HN     26    TYR    HB2     3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#     23    ASN    HB2     24    ARG     HN     5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#     23    ASN    HB3     24    ARG     HN     5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 339, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#     24    ARG     HN     24    ARG    HB2     3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#     24    ARG    HB2     24    ARG     HE     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 352, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#     24    ARG     HN     24    ARG    HB3     3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#     22    SER     HN     23    ASN     HN     4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 325, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#     21    PRO     HA     22    SER     HN     2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 314, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#     22    SER     HN     22    SER    HB2     3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 318, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#     22    SER     HN     22    SER    HB3     3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 319, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#     21    PRO    HB3     22    SER     HN     4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 314, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#     21    PRO    HB2     22    SER     HN     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#      5    TYR     HN      6    CYS     HA     5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  72, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#      4    CYS    HB3      5    TYR     HN     4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  49, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#      6    CYS    HB2      7    GLY     HN     5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  80, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#     14    TRP     HN     38    CYS     HN     4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 536, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#     23    ASN     HN     24    ARG     HN     3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#     13    TYR     QD     14    TRP     HN     3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 176, 185,
 &end
#
#     13    TYR     HA     14    TRP     HN     2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 189, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#     14    TRP     HN     14    TRP    HB3     3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#     14    TRP     HN     14    TRP    HB2     3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#     21    PRO    HB2     23    ASN     HN     4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 325, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#     12    ILE    QG2     14    TRP     HN     4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 155, 156, 157,
 &end
#
#     14    TRP     HN     36    ILE    QG2     4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 513, 514, 515,
 &end
#
#     27    THR     HN     39    TYR     QD     4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 554, 563,
 &end
#
#     26    TYR     HA     27    THR     HN     3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 391, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#     27    THR     HN     40    PRO    HD2     3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 568, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#     26    TYR    HB2     27    THR     HN     4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#     27    THR     HN     27    THR    QG2     3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 397, 398, 399,
 &end
#
#     16    GLY     HN     17    THR     HN     3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 240, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#     16    GLY     HN     35    GLY    HA2     3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 502, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#     16    GLY     HN     35    GLY    HA3     4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 503, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#     26    TYR     QE     42    ASP     HN     3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 380, 385,
 &end
#
#     41    VAL     HA     42    ASP     HN     2.54
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
#     12    ILE     HB     42    ASP     HN     4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 597, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#     12    ILE   HG13     42    ASP     HN     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 597, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#     12    ILE   HG12     42    ASP     HN     3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 597, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#     41    VAL    QG1     42    ASP     HN     4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 587, 588, 589,
 &end
#
#     12    ILE    QG2     42    ASP     HN     3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 155, 156, 157,
 &end
#
#     18    LYS     HN     19    THR     HN     3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 276, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#     19    THR     HN     19    THR     HB     3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#     18    LYS    HB3     19    THR     HN     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 276, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     19    THR     HN     36    ILE    QG2     3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 513, 514, 515,
 &end
#
#     23    ASN     HN     23    ASN   HD21     5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 334, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#     17    THR     HN     18    LYS     HN     4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#     17    THR     HN     17    THR     HB     3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#     17    THR     HN     17    THR    QG2     2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 246, 247, 248,
 &end
#
#      4    CYS     HN     13    TYR     HN     4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 168, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#     13    TYR     HN     13    TYR     QD     4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 176, 185,
 &end
#
#     13    TYR     HN     13    TYR    HB2     3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#     13    TYR     HN     13    TYR    HB3     2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#     12    ILE   HG13     13    TYR     HN     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#      4    CYS    HB2     13    TYR     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     12    ILE   HG12     13    TYR     HN     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 168, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     12    ILE    QD1     13    TYR     HN     3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1= 162, 163, 164,
 &end
#
#     30    CYS     HN     37    CYS     HN     3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 526, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#     30    CYS     HN     39    TYR     QE     4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 556, 561,
 &end
#
#     29    SER     HA     30    CYS     HN     2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 423, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
#     29    SER    HB3     30    CYS     HN     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 423, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#     29    SER    HB2     30    CYS     HN     2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#     30    CYS     HN     37    CYS    HB3     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 531, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#     30    CYS     HN     36    ILE     HB     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     30    CYS     HN     36    ILE   HG13     3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#     30    CYS     HN     36    ILE   HG12     4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 517, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#     30    CYS     HN     36    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 513, 514, 515,
 &end
#
#     30    CYS     HN     36    ILE    QD1     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 520, 521, 522,
 &end
#
#     12    ILE     HN     13    TYR     HN     5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 168, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#     13    TYR     HN     14    TRP     HN     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#      6    CYS    HB3      7    GLY     HN     5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  80, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#     24    ARG    HB3     24    ARG     HE     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#     18    LYS     HN     36    ILE    QG2     5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 513, 514, 515,
 &end
#
#     14    TRP     HN     36    ILE     HN     3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 507, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#     38    CYS     HN     38    CYS    HB3     3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 541, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#     18    LYS    HB2     19    THR     HN     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 276, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     18    LYS     QG     19    THR     HN     4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 261, 262,
 &end
#
#     19    THR     HN     36    ILE    QD1     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 520, 521, 522,
 &end
#
#     15    PHE    HB2     16    GLY     HN     4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 233, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#     15    PHE    HB3     16    GLY     HN     4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 233, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#      5    TYR     QD     10    ILE     HN     4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=  57,  66,
 &end
#
#      5    TYR     QE     10    ILE     HN     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=  59,  64,
 &end
#
#      9    THR     HA     10    ILE     HN     2.48
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98,  &end
#
#     11    GLY     HN     39    TYR    HB3     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 551, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#      4    CYS    HB3     11    GLY     HN     4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 142, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#     10    ILE     HN     10    ILE     HB     2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#     10    ILE     HN     10    ILE    QG2     2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 129, 130, 131,
 &end
#
#     27    THR     HN     39    TYR     HN     4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 546, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#     26    TYR     QD     27    THR     HN     3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 378, 387,
 &end
#
#     26    TYR    HB3     27    THR     HN     3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 391, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#     27    THR     HN     40    PRO    HG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     27    THR     HN     40    PRO    HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     16    GLY     HN     34    LEU     QB     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 485, 486,
 &end
#
#     15    PHE     QD     16    GLY     HN     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 221, 229,
 &end
#
#     16    GLY     HN     36    ILE     HN     4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 507, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#     14    TRP     HN     17    THR    QG2     4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 246, 247, 248,
 &end
#
#     14    TRP     HN     36    ILE   HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#      4    CYS    HB3     14    TRP     HN     4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 189, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#     13    TYR    HB3     14    TRP     HN     5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 189, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#      5    TYR     QB      7    GLY     HN     5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=  53,  54,
 &end
#
#      4    CYS    HB2      5    TYR     HN     3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  49, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#     24    ARG     HN     26    TYR    HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     21    PRO    HB2     24    ARG     HN     3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#     26    TYR     HN     40    PRO    HD2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     26    TYR     HN     27    THR     HN     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#     26    TYR     HN     26    TYR     QE     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 380, 385,
 &end
#
#      9    THR    QG2     41    VAL     HN     5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 115, 116, 117,
 &end
#
#     12    ILE   HG12     41    VAL     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     11    GLY    HA3     41    VAL     HN     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 581, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#     40    PRO     HA     41    VAL     HN     2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#     12    ILE    QG2     39    TYR     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 155, 156, 157,
 &end
#
#     38    CYS    HB2     39    TYR     HN     4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 546, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#     26    TYR     QD     39    TYR     HN     4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 378, 387,
 &end
#
#     38    CYS     HN     39    TYR     HN     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 546, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#     12    ILE     HN     12    ILE   HG12     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 159, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#     12    ILE     HN     39    TYR    HB2     5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 550, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#     12    ILE     HN     37    CYS     HA     5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 528, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#     12    ILE     HN     14    TRP    HD1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     12    ILE     HN     39    TYR     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#      9    THR     HN      9    THR    QG2     4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 115, 116, 117,
 &end
#
#      9    THR     HN     10    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 129, 130, 131,
 &end
#
#      8    LYS     QG      9    THR     HN     4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  94,  95,
 &end
#
#      8    LYS    HB3      9    THR     HN     4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 109, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#      8    LYS    HB2      9    THR     HN     4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 109, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#      5    TYR     QB      9    THR     HN     4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=  53,  54,
 &end
#
#      6    CYS     HA      9    THR     HN     4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 109, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#      5    TYR     QD      9    THR     HN     4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  57,  66,
 &end
#
#      6    CYS     HN      9    THR    QG2     4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 115, 116, 117,
 &end
#
#      4    CYS     HN     10    ILE    QD1     4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 136, 137, 138,
 &end
#
#      6    CYS     HN     10    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 129, 130, 131,
 &end
#
#     18    LYS     HN     36    ILE    QD1     5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 520, 521, 522,
 &end
#
#     15    PHE     HN     36    ILE    QG2     5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 513, 514, 515,
 &end
#
#     15    PHE     HN     17    THR    QG2     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 246, 247, 248,
 &end
#
#     15    PHE     HN     15    PHE    HB3     2.62
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12,  &end
#
#     14    TRP     HN     15    PHE     HN     4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 213, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#     15    PHE     HN     15    PHE     QD     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 221, 229,
 &end
#
#     13    TYR     QD     15    PHE     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 176, 185,
 &end
#
#     20    CYS     HN     36    ILE    QD1     3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 520, 521, 522,
 &end
#
#     20    CYS     HN     36    ILE    QG2     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 513, 514, 515,
 &end
#
#     19    THR    QG2     20    CYS     HN     3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 282, 283, 284,
 &end
#
#     19    THR     HN     20    CYS     HN     4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#     25    GLY     HN     26    TYR    HB2     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 374, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#     23    ASN    HB2     25    GLY     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     23    ASN    HB3     25    GLY     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     25    GLY     HN     26    TYR     HA     5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#     32    TYR     HN     36    ILE    QD1     5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 520, 521, 522,
 &end
#
#     32    TYR     HN     36    ILE    QG2     4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 513, 514, 515,
 &end
#
#     32    TYR     HN     36    ILE   HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     32    TYR     HN     36    ILE   HG13     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 518, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#     32    TYR     HN     36    ILE     HB     4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 511, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#     32    TYR     HN     37    CYS    HB3     5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 531, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#     29    SER     HN     39    TYR     QE     4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 556, 561,
 &end
#
#     29    SER     HN     30    CYS     HN     4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 423, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#     36    ILE     HN     36    ILE    QD1     5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 520, 521, 522,
 &end
#
#     36    ILE     HN     36    ILE   HG12     4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#     36    ILE     HN     36    ILE   HG13     4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 518, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#     14    TRP    HB2     36    ILE     HN     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 507, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#     13    TYR     QE     36    ILE     HN     3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 178, 183,
 &end
#
#     31    GLY     HN     36    ILE    QD1     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 520, 521, 522,
 &end
#
#     14    TRP    HE1     21    PRO    HG3     4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 305, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#     12    ILE     HB     14    TRP    HE1     4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 199, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#     14    TRP    HE1     21    PRO    HD2     4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#     14    TRP    HE1     20    CYS     HA     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     34    LEU     QB     35    GLY     HN     4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 485, 486,
 &end
#
#     34    LEU     HG     35    GLY     HN     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#     34    LEU    QD1     35    GLY     HN     5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 490, 491, 492,
 &end
#
#     13    TYR     QE     35    GLY     HN     3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 178, 183,
 &end
#
#     33    PHE     HN     33    PHE     QD     4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 469, 477,
 &end
#
#     36    ILE    QD1     37    CYS     HN     4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 520, 521, 522,
 &end
#
#     36    ILE    QG2     37    CYS     HN     4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 513, 514, 515,
 &end
#
#     32    TYR    HB3     37    CYS     HN     4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 526, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#     36    ILE    QD1     38    CYS     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 520, 521, 522,
 &end
#
#     38    CYS     HN     39    TYR    HB3     5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 551, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#     14    TRP    HE1     38    CYS     HN     5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#     28    GLY     HN     29    SER     HA     5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 414, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#     30    CYS     HN     31    GLY    HA2     4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#     12    ILE     HB     13    TYR     HN     4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 168, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#     18    LYS     QE     19    THR     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,
 &end
#
#     17    THR     HN     19    THR     HN     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     11    GLY     HN     12    ILE     HN     4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 149, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#     10    ILE     HA     11    GLY     HN     2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96,  &end
#
#     16    GLY     HN     17    THR    QG2     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 246, 247, 248,
 &end
#
#     16    GLY     HN     36    ILE    QG2     5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 513, 514, 515,
 &end
#
#     14    TRP     HN     38    CYS    HB2     5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 540, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#     14    TRP     HN     15    PHE     HA     5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 215, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#      6    CYS     HN      7    GLY     HN     5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  80, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#     26    TYR     QE     39    TYR     HN     4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 380, 385,
 &end
#
#      3    THR     HN     12    ILE    QD1     5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 162, 163, 164,
 &end
#
#      3    THR     HN      4    CYS     HN     4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  39, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#     12    ILE     HN     38    CYS     HN     3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 536, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#      9    THR     HN     10    ILE     HA     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#      6    CYS     HN     10    ILE     HB     5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 127, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#      4    CYS     HN     12    ILE     HN     4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 149, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#      4    CYS     HN      5    TYR     HN     4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  49, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#     31    GLY     HN     31    GLY    HA2     2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#     30    CYS     HA     31    GLY     HN     2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 433, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#     36    ILE     HN     36    ILE    QG2     3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 513, 514, 515,
 &end
#
#     31    GLY     HN     36    ILE     HB     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     12    ILE    QG2     38    CYS     HN     3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 155, 156, 157,
 &end
#
#     38    CYS     HN     38    CYS    HB2     3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#     11    GLY    HA3     38    CYS     HN     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 536, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#     37    CYS     HA     38    CYS     HN     2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 536, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
#      8    LYS     HN      9    THR     HN     3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 109, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#     10    ILE     HN     10    ILE    QD1     4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 136, 137, 138,
 &end
#
#     10    ILE    QD1     11    GLY     HN     5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 136, 137, 138,
 &end
#
#     31    GLY    HA3     36    ILE     HA     4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 509, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#     31    GLY    HA2     36    ILE     HA     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 509, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#     12    ILE     HB     12    ILE    QD1     3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 162, 163, 164,
 &end
#
#     11    GLY    HA3     39    TYR    HB3     3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 551, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#     28    GLY    HA3     39    TYR     QE     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 556, 561,
 &end
#
#     32    TYR    HB2     37    CYS    HB2     4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 530, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#     32    TYR    HB2     37    CYS    HB3     3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 531, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#     18    LYS     HA     36    ILE     HB     3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 511, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#     24    ARG    HD2     26    TYR     QE     5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 385,
 &end
#
#     26    TYR     QE     42    ASP    HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 385,
 &end
#
#     24    ARG    HD3     26    TYR     QE     5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 380, 385,
 &end
#
#     26    TYR     QE     42    ASP    HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 385,
 &end
#
#     20    CYS    HB2     26    TYR     QD     4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 378, 387,
 &end
#
#     20    CYS    HB3     26    TYR     QD     4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 378, 387,
 &end
#
#     11    GLY    HA3     39    TYR    HB2     4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 550, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#      4    CYS    HB3     13    TYR    HB2     3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 172, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#      6    CYS    HB2      9    THR     HB     4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#     10    ILE     HB     10    ILE    QD1     3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 136, 137, 138,
 &end
#
#     26    TYR    HB3     38    CYS    HB3     4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 541, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#      3    THR     HN      3    THR     HB     3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#      3    THR     HB     10    ILE    QD1     3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 136, 137, 138,
 &end
#
#     14    TRP    HB2     17    THR     HB     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     17    THR     HB     21    PRO    HD3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     29    SER    HB3     36    ILE   HG13     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 518, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#     41    VAL     HB     42    ASP     HN     4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#     26    TYR     QE     41    VAL     HA     4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 380, 385,
 &end
#
#     11    GLY    HA2     41    VAL     HA     4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 583, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#     12    ILE     HB     41    VAL     HA     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     12    ILE   HG13     41    VAL     HA     4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 583, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#     12    ILE   HG12     41    VAL     HA     3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 583, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#     12    ILE    QG2     41    VAL     HA     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 155, 156, 157,
 &end
#
#     14    TRP    HB3     36    ILE    QG2     3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 513, 514, 515,
 &end
#
#     10    ILE   HG12     11    GLY     HN     4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 142, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#     10    ILE   HG13     11    GLY     HN     4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 142, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#     21    PRO     HA     22    SER    HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     21    PRO     HA     22    SER    HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#      9    THR     HA      9    THR    QG2     3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 115, 116, 117,
 &end
#
#     39    TYR     QD     40    PRO     HA     4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 554, 563,
 &end
#
#     11    GLY    HA2     40    PRO     HA     4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 577, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#     39    TYR    HB2     40    PRO     HA     2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 577, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#     36    ILE    QG2     36    ILE   HG12     3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 513, 514, 515,
 &end
#
#     24    ARG     HA     24    ARG     QG     3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 346, 347,
 &end
#
#     12    ILE   HG12     42    ASP    HB2     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 601, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#      5    TYR     QD     10    ILE     HA     3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  57,  66,
 &end
#
#      5    TYR     QE     10    ILE     HA     4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=  59,  64,
 &end
#
#     10    ILE     HA     10    ILE   HG12     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#     10    ILE     HA     10    ILE   HG13     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 134, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#     10    ILE     HA     10    ILE    QG2     3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 129, 130, 131,
 &end
#
#     21    PRO    HG3     26    TYR     QE     4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 380, 385,
 &end
#
#     21    PRO    HG2     24    ARG     QG     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 346, 347,
 &end
#
#     33    PHE     QE     34    LEU    QD1     4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 471, 475,
 igr2= 490, 491, 492,
 &end
#
#     33    PHE     QD     34    LEU     HG     4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 469, 477,
 &end
#
#     33    PHE     QD     34    LEU    QD1     5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 469, 477,
 igr2= 490, 491, 492,
 &end
#
#     34    LEU     HA     34    LEU     HG     4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#     34    LEU     HA     34    LEU    QD1     4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 490, 491, 492,
 &end
#
#     34    LEU     QB     34    LEU    QD1     3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 485, 486,
 igr2= 490, 491, 492,
 &end
#
#     18    LYS     HA     18    LYS     QG     4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 261, 262,
 &end
#
#     32    TYR    HB2     36    ILE     HA     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 509, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#     36    ILE     HA     36    ILE   HG13     3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 518, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#     36    ILE     HA     36    ILE   HG12     3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#     33    PHE     HA     33    PHE     QD     3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 469, 477,
 &end
#
#     15    PHE     HA     16    GLY     HN     2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 233, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#     15    PHE     HA     35    GLY    HA3     3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 503, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#     29    SER     HA     38    CYS     HA     3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 538, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#     29    SER     HA     29    SER    HB3     2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 417, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#     29    SER     HA     29    SER    HB2     2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#      5    TYR     HA      6    CYS     HN     2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  70, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#      5    TYR     HA      5    TYR     QD     3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  57,  66,
 &end
#
#      5    TYR     HA     10    ILE     HA     3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 125, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#      3    THR     HN      3    THR    QG2     4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=  31,  32,  33,
 &end
#
#      3    THR    QG2     13    TYR     HN     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=  31,  32,  33,
 &end
#
#     33    PHE     QE     34    LEU    QD2     4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 471, 475,
 igr2= 494, 495, 496,
 &end
#
#      3    THR    QG2      5    TYR     QE     4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  31,  32,  33,
 igr2=  59,  64,
 &end
#
#     34    LEU     HA     34    LEU    QD2     3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 494, 495, 496,
 &end
#
#      3    THR    QG2      4    CYS     HA     4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=  31,  32,  33,
 &end
#
#     34    LEU     QB     34    LEU    QD2     3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 485, 486,
 igr2= 494, 495, 496,
 &end
#
#     27    THR    QG2     40    PRO    HD3     3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 397, 398, 399,
 &end
#
#     19    THR    QG2     20    CYS     HA     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 282, 283, 284,
 &end
#
#      4    CYS    HB3     13    TYR     HA     3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 170, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#      9    THR    QG2     10    ILE     HN     3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 115, 116, 117,
 &end
#
#     19    THR     HN     19    THR    QG2     4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 282, 283, 284,
 &end
#
#     26    TYR     HA     27    THR    QG2     4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 397, 398, 399,
 &end
#
#      2    THR     HA      2    THR    QG2     3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=  17,  18,  19,
 &end
#
#     19    THR     HA     19    THR    QG2     3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 282, 283, 284,
 &end
#
#     13    TYR     HA     14    TRP    HB2     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 193, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#     41    VAL    QG2     42    ASP     HN     4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 591, 592, 593,
 &end
#
#      9    THR    QG2     39    TYR    HB3     4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 115, 116, 117,
 &end
#
#     20    CYS     HA     21    PRO    HD3     2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 302, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16,  &end
#
#     20    CYS     HA     21    PRO    HD2     3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#     12    ILE     HN     39    TYR     HA     4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 548, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#     39    TYR     HA     41    VAL     HN     4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 581, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#     11    GLY    HA2     39    TYR     HA     3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 548, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#     11    GLY    HA3     39    TYR     HA     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 548, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#     39    TYR     HA     39    TYR    HB2     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 550, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#     39    TYR     HA     39    TYR    HB3     2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 551, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#     14    TRP    HE3     17    THR    QG2     3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 246, 247, 248,
 &end
#
#     17    THR    QG2     19    THR     HN     4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 246, 247, 248,
 &end
#
#     39    TYR     HA     41    VAL     HA     4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#     14    TRP    HB3     17    THR    QG2     3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 246, 247, 248,
 &end
#
#     14    TRP    HB2     17    THR    QG2     3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 246, 247, 248,
 &end
#
#     14    TRP     HN     37    CYS     HA     4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 528, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#     13    TYR     QD     37    CYS     HA     4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 176, 185,
 &end
#
#     13    TYR     HA     37    CYS     HA     3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 528, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#     37    CYS     HA     38    CYS    HB2     4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 540, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#     12    ILE    QG2     13    TYR     HN     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 155, 156, 157,
 &end
#
#     12    ILE     HA     12    ILE    QG2     3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 155, 156, 157,
 &end
#
#     18    LYS     HA     36    ILE    QG2     3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 513, 514, 515,
 &end
#
#     12    ILE    QG2     38    CYS    HB2     4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 155, 156, 157,
 &end
#
#     12    ILE    QG2     12    ILE   HG13     3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 155, 156, 157,
 &end
#
#     36    ILE    QG2     36    ILE   HG13     3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 513, 514, 515,
 &end
#
#     12    ILE    QG2     12    ILE   HG12     3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 155, 156, 157,
 &end
#
#     39    TYR     QD     40    PRO    HD2     4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 554, 563,
 &end
#
#     26    TYR     HA     40    PRO    HD2     3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 568, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#     27    THR    QG2     40    PRO    HD2     4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 397, 398, 399,
 &end
#
#     29    SER    HB2     36    ILE    QD1     3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 520, 521, 522,
 &end
#
#     14    TRP    HB2     36    ILE    QD1     4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 520, 521, 522,
 &end
#
#     36    ILE     HB     36    ILE    QD1     3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 520, 521, 522,
 &end
#
#     21    PRO    HD2     38    CYS    HB3     4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 541, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#     36    ILE    QG2     36    ILE    QD1     3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 513, 514, 515,
 igr2= 520, 521, 522,
 &end
#
#     11    GLY    HA2     39    TYR    HB3     4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 551, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#      3    THR     HA      3    THR    QG2     3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=  31,  32,  33,
 &end
#
#      3    THR     HA      4    CYS     HN     2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  39, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#      3    THR     HA     13    TYR     HN     4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#     19    THR     HA     36    ILE    QD1     3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 520, 521, 522,
 &end
#
#     17    THR     HA     17    THR     HB     2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#     32    TYR     HA     33    PHE     HN     3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 461, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#      8    LYS     HA      8    LYS     QG     3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=  94,  95,
 &end
#
#     14    TRP     HA     14    TRP    HE3     3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 208, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#     17    THR    QG2     18    LYS     HA     4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 246, 247, 248,
 &end
#
#     18    LYS     HA     36    ILE    QD1     4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 520, 521, 522,
 &end
#
#     23    ASN     HA     25    GLY     HN     4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 363, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#     26    TYR     HA     40    PRO    HD3     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 569, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#      4    CYS     HA      5    TYR     HN     3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  49, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#      4    CYS     HA      4    CYS    HB3     2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  44, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#     17    THR     HA     17    THR    QG2     3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 246, 247, 248,
 &end
#
#     17    THR    QG2     35    GLY    HA2     4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 246, 247, 248,
 &end
#
#     29    SER    HB3     38    CYS     HA     3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 538, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#     38    CYS     HA     39    TYR     HN     2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#     12    ILE     HA     12    ILE    QD1     3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 162, 163, 164,
 &end
#
#     12    ILE     HA     13    TYR     HN     2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 168, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#      4    CYS    HB2     13    TYR    HB3     5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 173, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#      2    THR     HB     13    TYR    HB3     5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 173, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#     12    ILE     HA     13    TYR    HB3     4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 173, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#      4    CYS    HB2     37    CYS    HB3     4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 531, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#     21    PRO    HB2     26    TYR     QE     4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 380, 385,
 &end
#
#      6    CYS    HB3      9    THR     HB     4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#     14    TRP     HA     15    PHE    HB3     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 218, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#     13    TYR     QE     15    PHE    HB3     4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 178, 183,
 &end
#
#     20    CYS    HB2     38    CYS    HB3     4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 541, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#     20    CYS    HB3     38    CYS    HB3     4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 541, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#     21    PRO    HG3     24    ARG    HD2     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 349, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#     21    PRO    HG3     24    ARG    HD3     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#     29    SER    HB2     36    ILE     HB     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     32    TYR    HB3     37    CYS    HB2     4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 530, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#      4    CYS    HB3     32    TYR     QE     5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 450, 455,
 &end
#
#     12    ILE    QG2     38    CYS    HB3     4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 155, 156, 157,
 &end
#
#     15    PHE     HA     16    GLY    HA2     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 235, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#     12    ILE    QD1     41    VAL     HA     4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 162, 163, 164,
 &end
#
#     12    ILE     HN     12    ILE    QD1     4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 162, 163, 164,
 &end
#
#     12    ILE    QD1     14    TRP    HE1     5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 162, 163, 164,
 &end
#
#     10    ILE     HA     10    ILE    QD1     4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 136, 137, 138,
 &end
#
#      5    TYR     QE     10    ILE    QD1     4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  59,  64,
 igr2= 136, 137, 138,
 &end
#
#      5    TYR     QD     10    ILE    QD1     5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=  57,  66,
 igr2= 136, 137, 138,
 &end
#
#     30    CYS     HA     36    ILE    QD1     4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 520, 521, 522,
 &end
#
#     36    ILE    QD1     37    CYS    HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 520, 521, 522,
 &end
#
#     17    THR    QG2     21    PRO    HD3     4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 246, 247, 248,
 &end
#
#     19    THR    QG2     21    PRO    HD3     5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 282, 283, 284,
 &end
#
#     14    TRP    HB3     21    PRO    HD2     5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 301, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#     14    TRP    HB3     21    PRO    HD3     4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 302, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#     21    PRO    HD3     26    TYR     QE     4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 380, 385,
 &end
#
#     21    PRO    HD2     26    TYR     QE     4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 380, 385,
 &end
#
#     21    PRO    HD3     26    TYR     QD     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 378, 387,
 &end
#
#     21    PRO    HD2     26    TYR     QD     4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 378, 387,
 &end
#
#     14    TRP    HD1     21    PRO    HD3     5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 302, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#      9    THR     HA     10    ILE    QG2     4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 129, 130, 131,
 &end
#
#      5    TYR     HA     10    ILE    QG2     5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 129, 130, 131,
 &end
#
#      5    TYR     QE     10    ILE    QG2     4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  59,  64,
 igr2= 129, 130, 131,
 &end
#
#      4    CYS     HN     10    ILE    QG2     5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 129, 130, 131,
 &end
#
#     17    THR     HN     36    ILE    QG2     4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 513, 514, 515,
 &end
#
#     12    ILE    QG2     26    TYR     QE     4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 155, 156, 157,
 igr2= 380, 385,
 &end
#
#     12    ILE    QG2     13    TYR     HA     4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 155, 156, 157,
 &end
#
#     19    THR     HB     36    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 513, 514, 515,
 &end
#
#     29    SER    HB2     36    ILE    QG2     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 513, 514, 515,
 &end
#
#     14    TRP    HB2     36    ILE    QG2     3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 513, 514, 515,
 &end
#
#     12    ILE    QG2     13    TYR    HB2     5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 155, 156, 157,
 &end
#
#     12    ILE    QG2     21    PRO    HD2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 155, 156, 157,
 &end
#
#     21    PRO    HD2     36    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 513, 514, 515,
 &end
#
#     17    THR    QG2     36    ILE    QG2     3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 246, 247, 248,
 igr2= 513, 514, 515,
 &end
#
#      9    THR    QG2     10    ILE    QG2     4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 115, 116, 117,
 igr2= 129, 130, 131,
 &end
#
#     28    GLY     HN     40    PRO    HD2     4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 568, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#     37    CYS     HA     38    CYS     HA     5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#      4    CYS     HA     37    CYS     HA     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     32    TYR    HB2     37    CYS     HA     4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 528, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#     14    TRP    HB2     37    CYS     HA     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 528, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#     13    TYR    HB2     37    CYS     HA     4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 528, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#     36    ILE   HG12     37    CYS     HA     5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 528, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#     12    ILE    QG2     37    CYS     HA     4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 155, 156, 157,
 &end
#
#     36    ILE    QG2     37    CYS     HA     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 513, 514, 515,
 &end
#
#     13    TYR     HN     37    CYS     HA     5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 528, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#     39    TYR     HA     39    TYR     QD     3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 554, 563,
 &end
#
#     39    TYR     HA     40    PRO    HB3     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 575, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#     38    CYS    HB2     39    TYR     HA     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     39    TYR     HA     41    VAL     HB     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     38    CYS    HB3     39    TYR     HA     4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 548, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#      9    THR    QG2     39    TYR     HA     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 115, 116, 117,
 &end
#
#     12    ILE    QG2     39    TYR     HA     5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 155, 156, 157,
 &end
#
#     17    THR    QG2     36    ILE     HB     4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 246, 247, 248,
 &end
#
#     17    THR    QG2     21    PRO    HD2     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 246, 247, 248,
 &end
#
#     17    THR    QG2     36    ILE    QD1     3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 246, 247, 248,
 igr2= 520, 521, 522,
 &end
#
#     17    THR    QG2     36    ILE     HN     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 246, 247, 248,
 &end
#
#     20    CYS     HA     21    PRO    HG3     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#     20    CYS     HA     36    ILE    QD1     3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 520, 521, 522,
 &end
#
#     20    CYS     HA     36    ILE    QG2     4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 513, 514, 515,
 &end
#
#     17    THR    QG2     20    CYS     HA     4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 246, 247, 248,
 &end
#
#     20    CYS     HA     38    CYS    HB3     5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 541, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#     20    CYS     HA     21    PRO    HB3     5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 308, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#     20    CYS     HA     26    TYR     QE     4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 380, 385,
 &end
#
#     20    CYS     HA     26    TYR     QD     4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 378, 387,
 &end
#
#     30    CYS     HA     31    GLY    HA2     4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#     30    CYS     HA     31    GLY    HA3     4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#     13    TYR     HA     14    TRP     HA     4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 191, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#      5    TYR     HA     10    ILE     HB     4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 127, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#      5    TYR     HA     11    GLY     HN     3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 142, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#     12    ILE     HA     13    TYR     HA     4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 170, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#      5    TYR     HA     10    ILE   HG12     5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 133, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#      5    TYR     HA     10    ILE   HG13     5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 134, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#      5    TYR     HA      9    THR     HN     5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 109, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#     26    TYR    HB3     29    SER     HA     5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 414, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#     29    SER     HA     39    TYR    HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     29    SER     HA     38    CYS    HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     29    SER     HA     36    ILE   HG13     4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 518, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#     29    SER     HA     36    ILE   HG12     5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 517, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#     29    SER     HA     36    ILE    QD1     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 520, 521, 522,
 &end
#
#     33    PHE     HA     34    LEU    QD2     5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 494, 495, 496,
 &end
#
#     33    PHE     QD     34    LEU    QD2     4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 469, 477,
 igr2= 494, 495, 496,
 &end
#
#     34    LEU    QD2     35    GLY     HN     5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 494, 495, 496,
 &end
#
#      3    THR    QG2     10    ILE     HA     5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=  31,  32,  33,
 &end
#
#      3    THR    QG2     12    ILE     HN     5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=  31,  32,  33,
 &end
#
#      2    THR    QG2     13    TYR    HB2     4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  17,  18,  19,
 &end
#
#      2    THR    QG2     13    TYR    HB3     4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=  17,  18,  19,
 &end
#
#      2    THR    QG2     13    TYR     HN     4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  17,  18,  19,
 &end
#
#      9    THR    QG2     39    TYR    HB2     3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 115, 116, 117,
 &end
#
#     15    PHE     HA     16    GLY    HA3     4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 236, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#     15    PHE     HA     17    THR    QG2     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 246, 247, 248,
 &end
#
#     15    PHE     HA     15    PHE     QD     3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 221, 229,
 &end
#
#     36    ILE     HA     37    CYS    HB2     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 530, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#     32    TYR    HB3     36    ILE     HA     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 509, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#     36    ILE     HA     36    ILE    QG2     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 513, 514, 515,
 &end
#
#     36    ILE     HA     36    ILE    QD1     3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 520, 521, 522,
 &end
#
#     27    THR    QG2     40    PRO    HG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#     27    THR    QG2     40    PRO    HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 397, 398, 399,
 &end
#
#     33    PHE     HA     34    LEU     HG     4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 488, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#     33    PHE     HA     34    LEU    QD1     5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 490, 491, 492,
 &end
#
#     32    TYR     HA     33    PHE     HA     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 463, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#     33    PHE     HA     34    LEU     HA     5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#     35    GLY    HA2     36    ILE     HA     4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 509, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#     35    GLY    HA3     36    ILE     HA     5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 509, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#     14    TRP    HB3     21    PRO    HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     21    PRO    HG2     26    TYR     QE     5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 380, 385,
 &end
#
#     20    CYS     HA     21    PRO    HG2     5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 304, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#     14    TRP    HB2     36    ILE   HG12     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 517, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#     14    TRP    HB2     36    ILE   HG13     5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 518, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#      9    THR    QG2     10    ILE     HA     4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 115, 116, 117,
 &end
#
#      5    TYR     QB     10    ILE     HA     4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  53,  54,
 &end
#
#     10    ILE     HA     11    GLY    HA3     4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 145, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#     10    ILE     HA     11    GLY    HA2     4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 144, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#      4    CYS     HA     10    ILE     HA     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#      9    THR     HA     10    ILE     HA     4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 125, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#      4    CYS     HN     10    ILE     HA     4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 125, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#      9    THR    QG2     40    PRO     HA     4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 115, 116, 117,
 &end
#
#     11    GLY    HA3     40    PRO     HA     4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 577, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#     40    PRO     HA     41    VAL     HA     4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 583, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#      3    THR     HA     12    ILE    QD1     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 162, 163, 164,
 &end
#
#      8    LYS     HA      8    LYS     QD     4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=  97,  98,
 &end
#
#      3    THR     HB     10    ILE   HG12     4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  29, 133, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#      3    THR     HB     10    ILE   HG13     4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  29, 134, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#      8    LYS     QG      8    LYS     QD     2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#     14    TRP    HB3     36    ILE    QD1     5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 520, 521, 522,
 &end
#
#     14    TRP    HB3     15    PHE     HN     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 213, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#     40    PRO    HB2     41    VAL     HA     4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#     11    GLY    HA3     41    VAL     HA     4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 583, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#      9    THR     HA     10    ILE     HB     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 127, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#     19    THR    QG2     21    PRO    HB3     5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 282, 283, 284,
 &end
#
#     29    SER    HB2     36    ILE   HG12     4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 517, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#     29    SER    HB2     36    ILE   HG13     4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 518, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#     29    SER    HB2     38    CYS     HA     4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 538, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#     29    SER    HB3     36    ILE   HG12     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 517, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#     29    SER    HB3     36    ILE    QD1     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 520, 521, 522,
 &end
#
#      9    THR     HB     39    TYR    HB3     5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 551, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#     14    TRP    HB3     17    THR     HB     4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 244, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#     19    THR     HB     36    ILE    QD1     5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 520, 521, 522,
 &end
#
#     11    GLY    HA2     39    TYR    HB2     4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 550, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#     14    TRP     HA     15    PHE    HB2     4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#     32    TYR    HB3     33    PHE     HA     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     36    ILE     HA     37    CYS    HB3     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 531, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#     31    GLY    HA3     36    ILE    QD1     4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 520, 521, 522,
 &end
#
#     15    PHE     HA     36    ILE    QG2     5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514, 515,
 &end
#
#     14    TRP    HZ3     21    PRO    HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     12    ILE   HG12     42    ASP    HB3     5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 602, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#     29    SER     HA     39    TYR     QD     3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 554, 563,
 &end
#
#     14    TRP    HZ2     24    ARG    HD2     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 349, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#      9    THR    QG2     39    TYR     QD     3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 115, 116, 117,
 igr2= 554, 563,
 &end
#
#      2    THR     HB     13    TYR     QD     4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 176, 185,
 &end
#
#     13    TYR     QD     32    TYR    HB3     3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 176, 185,
 &end
#
#     26    TYR     QD     38    CYS    HB3     3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 378, 387,
 &end
#
#      2    THR    QG2     13    TYR     QD     3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  17,  18,  19,
 igr2= 176, 185,
 &end
#
#     14    TRP     HN     14    TRP    HD1     3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#     14    TRP    HD1     37    CYS     HA     4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 528, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#     14    TRP    HB2     14    TRP    HD1     3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#     14    TRP    HD1     38    CYS    HB2     3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 540, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#     12    ILE     HB     14    TRP    HD1     5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 197, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#     14    TRP    HD1     38    CYS    HB3     3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 541, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#     12    ILE    QG2     14    TRP    HD1     3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 155, 156, 157,
 &end
#
#      5    TYR     QB     32    TYR     QE     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  53,  54,
 igr2= 450, 455,
 &end
#
#     13    TYR     QE     35    GLY    HA3     3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 178, 183,
 &end
#
#      6    CYS    HB2     39    TYR     QE     3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 556, 561,
 &end
#
#      9    THR    QG2     39    TYR     QE     4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 115, 116, 117,
 igr2= 556, 561,
 &end
#
#     15    PHE     QD     34    LEU     QB     3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 221, 229,
 igr2= 485, 486,
 &end
#
#      5    TYR     QE     10    ILE     HB     3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=  59,  64,
 &end
#
#      6    CYS    HB3     39    TYR     QE     3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 556, 561,
 &end
#
#     28    GLY    HA2     39    TYR     QE     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 556, 561,
 &end
#
#     29    SER     HA     39    TYR     QE     3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 556, 561,
 &end
#
#     13    TYR     QE     34    LEU    QD1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 178, 183,
 igr2= 490, 491, 492,
 &end
#
#     13    TYR     QE     36    ILE    QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 178, 183,
 igr2= 513, 514, 515,
 &end
#
#     13    TYR     QE     32    TYR    HB3     3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 178, 183,
 &end
#
#     13    TYR     QE     15    PHE    HB2     3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 178, 183,
 &end
#
#     13    TYR     QE     32    TYR    HB2     4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 178, 183,
 &end
#
#     13    TYR     QE     36    ILE     HA     4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 178, 183,
 &end
#
#      4    CYS    HB2     32    TYR     QE     3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 450, 455,
 &end
#
#      4    CYS     HA     32    TYR     QE     4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 450, 455,
 &end
#
#     14    TRP    HB3     14    TRP    HE3     3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#     14    TRP    HH2     21    PRO    HG3     4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 305, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#     14    TRP    HD1     17    THR    QG2     4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 246, 247, 248,
 &end
#
#     14    TRP    HD1     21    PRO    HD2     4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 301, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#     14    TRP    HD1     20    CYS     HA     4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 292, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#     14    TRP     HA     14    TRP    HD1     4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 197, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#     15    PHE     QE     34    LEU     QB     3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 223, 227,
 igr2= 485, 486,
 &end
#
#     15    PHE     QE     34    LEU     HG     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 223, 227,
 &end
#
#     15    PHE     QE     34    LEU    QD1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 223, 227,
 igr2= 490, 491, 492,
 &end
#
#     21    PRO    HG2     26    TYR     QD     4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 378, 387,
 &end
#
#     26    TYR     QD     38    CYS    HB2     4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 378, 387,
 &end
#
#     26    TYR     QD     40    PRO    HD2     3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 378, 387,
 &end
#
#     26    TYR     HA     26    TYR     QD     2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 378, 387,
 &end
#
#     26    TYR     QD     39    TYR     HA     3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 378, 387,
 &end
#
#     38    CYS     HA     39    TYR     QD     4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 554, 563,
 &end
#
#      9    THR     HB     39    TYR     QD     4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 554, 563,
 &end
#
#     14    TRP    HZ2     24    ARG     QG     4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 346, 347,
 &end
#
#     12    ILE    QG2     14    TRP    HZ2     4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 155, 156, 157,
 &end
#
#     14    TRP    HZ2     21    PRO    HG2     4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 304, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#     26    TYR     QD     39    TYR     QD     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 378, 387,
 igr2= 554, 563,
 &end
#
#      9    THR     HB     39    TYR     QE     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 556, 561,
 &end
#
#     28    GLY     HN     39    TYR     QE     4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 556, 561,
 &end
#
#     39    TYR     HN     39    TYR     QE     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 556, 561,
 &end
#
#     13    TYR     QE     15    PHE     HA     4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 178, 183,
 &end
#
#     13    TYR     QE     32    TYR     HN     4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 178, 183,
 &end
#
#     13    TYR     QE     15    PHE     HN     5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 178, 183,
 &end
#
#      2    THR    QG2     13    TYR     QE     4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=  17,  18,  19,
 igr2= 178, 183,
 &end
#
#      5    TYR     HA     32    TYR     QE     5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 450, 455,
 &end
#
#     12    ILE    QG2     14    TRP    HH2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 155, 156, 157,
 &end
#
#     14    TRP    HH2     21    PRO    HG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     14    TRP    HD1     36    ILE    QD1     5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 520, 521, 522,
 &end
#
#     14    TRP    HD1     21    PRO    HG3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#     14    TRP    HD1     36    ILE   HG12     4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#     14    TRP    HD1     38    CYS     HA     4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 538, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#     13    TYR     HA     14    TRP    HD1     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 197, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#     14    TRP    HD1     38    CYS     HN     3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 536, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#     33    PHE     QE     34    LEU     HG     4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 471, 475,
 &end
#
#     15    PHE     HA     15    PHE     QE     4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 223, 227,
 &end
#
#      3    THR    QG2      5    TYR     QD     5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  31,  32,  33,
 igr2=  57,  66,
 &end
#
#     13    TYR     QD     32    TYR    HB2     4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 176, 185,
 &end
#
#     13    TYR     QD     36    ILE    QG2     5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 176, 185,
 igr2= 513, 514, 515,
 &end
#
#     13    TYR     HA     13    TYR     QD     3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 176, 185,
 &end
#
#     13    TYR     QD     36    ILE     HN     4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 176, 185,
 &end
#
#     21    PRO    HG3     26    TYR     QD     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 378, 387,
 &end
#
#     39    TYR     QD     40    PRO    HD3     3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 554, 563,
 &end
#
#     11    GLY    HA3     39    TYR     QD     4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 554, 563,
 &end
#
#     11    GLY     HN     39    TYR     QD     5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 554, 563,
 &end
#
#     14    TRP    HZ2     26    TYR     QE     4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 380, 385,
 &end
#
#     14    TRP    HZ2     24    ARG    HD3     4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 350, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#     14    TRP    HZ2     21    PRO    HG3     4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 305, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#      4    CYS    HB2     32    TYR     QD     4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 448, 457,
 &end
#
#      4    CYS    HB3     32    TYR     QD     4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 448, 457,
 &end
#
#     32    TYR     QD     37    CYS    HB3     4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 448, 457,
 &end
#
#     32    TYR     QD     37    CYS    HB2     4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 448, 457,
 &end
#
#     32    TYR     QD     33    PHE     HA     5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 448, 457,
 &end
#
#     32    TYR     HA     32    TYR     QD     3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 448, 457,
 &end
#
#     32    TYR     HN     32    TYR     QD     4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 448, 457,
 &end
#
#      3    THR     HB     10    ILE    QG1     4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 133, 134,
 &end
#
#      5    TYR     HA     10    ILE    QG1     4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 133, 134,
 &end
#
#      6    CYS     HN      6    CYS     QB     3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=  74,  75,
 &end
#
#      6    CYS     HN     10    ILE    QG1     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 133, 134,
 &end
#
#      6    CYS     QB      7    GLY     HN     4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  74,  75,
 &end
#
#      6    CYS     QB      9    THR     HN     4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  74,  75,
 &end
#
#      6    CYS     QB      9    THR     HB     3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  74,  75,
 &end
#
#      6    CYS     QB      9    THR    QG2     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=  74,  75,
 igr2= 115, 116, 117,
 &end
#
#      6    CYS     QB     39    TYR     QD     3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  74,  75,
 igr2= 554, 563,
 &end
#
#      6    CYS     QB     39    TYR     QE     2.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=  74,  75,
 igr2= 556, 561,
 &end
#
#      7    GLY     QA      8    LYS     HN     3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1=  82,  83,
 &end
#
#      7    GLY     QA      9    THR     HN     4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=  82,  83,
 &end
#
#      8    LYS     QB      9    THR     HN     3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=  91,  92,
 &end
#
#     10    ILE     HA     10    ILE    QG1     3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 133, 134,
 &end
#
#     10    ILE    QG2     10    ILE    QG1     3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 129, 130, 131,
 igr2= 133, 134,
 &end
#
#     10    ILE    QG1     11    GLY     HN     3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 133, 134,
 &end
#
#     11    GLY    HA2     41    VAL    QQG     3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     11    GLY    HA3     41    VAL    QQG     4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     12    ILE     HB     41    VAL    QQG     5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     12    ILE   HG12     41    VAL    QQG     4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     12    ILE   HG12     42    ASP     QB     4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 601, 602,
 &end
#
#     14    TRP    HE1     24    ARG     QD     4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 349, 350,
 &end
#
#     14    TRP    HZ2     24    ARG     QD     3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 349, 350,
 &end
#
#     15    PHE     HA     16    GLY     QA     4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 235, 236,
 &end
#
#     16    GLY     QA     17    THR    QG2     4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 235, 236,
 igr2= 246, 247, 248,
 &end
#
#     16    GLY     QA     35    GLY    HA2     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 235, 236,
 &end
#
#     18    LYS     HN     18    LYS     QB     3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 258, 259,
 &end
#
#     18    LYS     QB     19    THR     HN     3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 258, 259,
 &end
#
#     18    LYS     QB     19    THR    QG2     4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 258, 259,
 igr2= 282, 283, 284,
 &end
#
#     18    LYS     QB     36    ILE    QD1     5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 258, 259,
 igr2= 520, 521, 522,
 &end
#
#     19    THR    QG2     20    CYS     QB     4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283, 284,
 igr2= 294, 295,
 &end
#
#     20    CYS     HN     20    CYS     QB     2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 294, 295,
 &end
#
#     20    CYS     QB     26    TYR     QD     3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 294, 295,
 igr2= 378, 387,
 &end
#
#     20    CYS     QB     26    TYR     QE     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 294, 295,
 igr2= 380, 385,
 &end
#
#     21    PRO    HB2     24    ARG     QD     3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 349, 350,
 &end
#
#     21    PRO    HB3     24    ARG     QD     5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 349, 350,
 &end
#
#     21    PRO    HG3     24    ARG     QB     5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 343, 344,
 &end
#
#     22    SER     HN     22    SER     QB     3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 318, 319,
 &end
#
#     22    SER     HA     22    SER     QB     2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 318, 319,
 &end
#
#     22    SER     QB     23    ASN     HN     3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 318, 319,
 &end
#
#     22    SER     QB     23    ASN     QB     4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 318, 319,
 igr2= 329, 330,
 &end
#
#     22    SER     QB     23    ASN   HD21     4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 318, 319,
 &end
#
#     22    SER     QB     23    ASN   HD22     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 318, 319,
 &end
#
#     23    ASN     HN     23    ASN     QB     3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 329, 330,
 &end
#
#     23    ASN     QB     23    ASN   HD21     2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 329, 330,
 &end
#
#     23    ASN     QB     23    ASN   HD22     3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 329, 330,
 &end
#
#     23    ASN     QB     24    ARG     HN     4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 329, 330,
 &end
#
#     24    ARG     HN     24    ARG     QB     3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 343, 344,
 &end
#
#     24    ARG     HN     24    ARG     QD     4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 349, 350,
 &end
#
#     24    ARG     HN     25    GLY     QA     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 365, 366,
 &end
#
#     24    ARG     HA     24    ARG     QD     3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 349, 350,
 &end
#
#     24    ARG     QB     24    ARG     HE     4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 343, 344,
 &end
#
#     24    ARG     QB     25    GLY     HN     3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 343, 344,
 &end
#
#     24    ARG     QB     26    TYR     HN     3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 343, 344,
 &end
#
#     24    ARG     QB     26    TYR    HB2     5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 343, 344,
 &end
#
#     24    ARG     QB     26    TYR     QD     3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 343, 344,
 igr2= 378, 387,
 &end
#
#     24    ARG     QD     26    TYR     QE     4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 349, 350,
 igr2= 380, 385,
 &end
#
#     25    GLY     HN     25    GLY     QA     2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
 igr2= 365, 366,
 &end
#
#     26    TYR     QD     40    PRO     QG     4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 378, 387,
 igr2= 571, 572,
 &end
#
#     26    TYR     QE     42    ASP     QB     4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 380, 385,
 igr2= 601, 602,
 &end
#
#     28    GLY     QA     29    SER     HN     2.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
 igr1= 407, 408,
 &end
#
#     28    GLY     QA     29    SER     HA     4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 407, 408,
 &end
#
#     28    GLY     QA     39    TYR     QE     3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 407, 408,
 igr2= 556, 561,
 &end
#
#     29    SER     HA     30    CYS     QB     4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 427, 428,
 &end
#
#     30    CYS     HA     30    CYS     QB     2.58
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2= 427, 428,
 &end
#
#     30    CYS     QB     31    GLY     HN     3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 427, 428,
 &end
#
#     30    CYS     QB     39    TYR     QE     4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 427, 428,
 igr2= 556, 561,
 &end
#
#     32    TYR     HA     33    PHE     QB     5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 465, 466,
 &end
#
#     32    TYR     QD     33    PHE     QB     4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 448, 457,
 igr2= 465, 466,
 &end
#
#     33    PHE     QB     34    LEU     HA     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 465, 466,
 &end
#
#     33    PHE     QB     34    LEU     HG     5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 465, 466,
 &end
#
#     33    PHE     QB     34    LEU    QD1     5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 465, 466,
 igr2= 490, 491, 492,
 &end
#
#     33    PHE     QB     34    LEU    QD2     4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 465, 466,
 igr2= 494, 495, 496,
 &end
#
#     33    PHE     QB     35    GLY     HN     4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 465, 466,
 &end
#
#     39    TYR     HA     40    PRO     QG     5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 571, 572,
 &end
#
#     39    TYR     HA     41    VAL    QQG     4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     40    PRO     HA     41    VAL    QQG     4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     41    VAL     HN     41    VAL    QQG     2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 587, 588, 589, 591, 592, 593,
 &end
#
#     41    VAL    QQG     42    ASP     HN     3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 587, 588, 589, 591, 592, 593,
 &end
#
#     41    VAL    QQG     42    ASP     HA     4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 587, 588, 589, 591, 592, 593,
 &end
# 608 atoms read from pdb file leap.pdb.
# 4 CYS PHI:  (3 THR C)-(4 CYX N)-(4 CYX CA)-(4 CYX C) -150.4 -113.3
 &rst     iat =    36,    38,    40,    46,
	  r1 = -151.4, r2 = -150.4, r3 = -113.3, r4 = -112.3,
	  rk2=60.0, rk3=60.0,				&end
# 4 CYS PSI:  (4 CYX N)-(4 CYX CA)-(4 CYX C)-(5 TYR N) 140.9 181.7
 &rst     iat =    38,    40,    46,    48,
	  r1 = 139.9, r2 = 140.9, r3 = 181.7, r4 = 182.7,
	&end
# 5 TYR PHI:  (4 CYX C)-(5 TYR N)-(5 TYR CA)-(5 TYR C) -137.3 -114.2
 &rst     iat =    46,    48,    50,    67,
	  r1 = -138.3, r2 = -137.3, r3 = -114.2, r4 = -113.2,
	&end
# 5 TYR PSI:  (5 TYR N)-(5 TYR CA)-(5 TYR C)-(6 CYX N) 132.4 154.5
 &rst     iat =    48,    50,    67,    69,
	  r1 = 131.4, r2 = 132.4, r3 = 154.5, r4 = 155.5,
	&end
# 6 CYS PHI:  (5 TYR C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -152.6 -118.5
 &rst     iat =    67,    69,    71,    77,
	  r1 = -153.6, r2 = -152.6, r3 = -118.5, r4 = -117.5,
	&end
# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 GLY N) 132.6 160.9
 &rst     iat =    69,    71,    77,    79,
	  r1 = 131.6, r2 = 132.6, r3 = 160.9, r4 = 161.9,
	&end
# 9 THR PHI:  (8 LYS C)-(9 THR N)-(9 THR CA)-(9 THR C) -125.9 -57.9
 &rst     iat =   106,   108,   110,   120,
	  r1 = -126.9, r2 = -125.9, r3 = -57.9, r4 = -56.9,
	&end
# 9 THR PSI:  (9 THR N)-(9 THR CA)-(9 THR C)-(10 ILE N)  96.9 141.7
 &rst     iat =   108,   110,   120,   122,
	  r1 =  95.9, r2 =  96.9, r3 = 141.7, r4 = 142.7,
	&end
# 10 ILE PHI:  (9 THR C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -101.8 -74.7
 &rst     iat =   120,   122,   124,   139,
	  r1 = -102.8, r2 = -101.8, r3 = -74.7, r4 = -73.7,
	&end
# 12 ILE PSI:  (12 ILE N)-(12 ILE CA)-(12 ILE C)-(13 TYR N) 125.5 149.9
 &rst     iat =   148,   150,   165,   167,
	  r1 = 124.5, r2 = 125.5, r3 = 149.9, r4 = 150.9,
	&end
# 13 TYR PHI:  (12 ILE C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -123.6 -103.6
 &rst     iat =   165,   167,   169,   186,
	  r1 = -124.6, r2 = -123.6, r3 = -103.6, r4 = -102.6,
	&end
# 13 TYR PSI:  (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 TRP N) 111.0 131.1
 &rst     iat =   167,   169,   186,   188,
	  r1 = 110.0, r2 = 111.0, r3 = 131.1, r4 = 132.1,
	&end
# 14 TRP PHI:  (13 TYR C)-(14 TRP N)-(14 TRP CA)-(14 TRP C) -116.4 -71.7
 &rst     iat =   186,   188,   190,   210,
	  r1 = -117.4, r2 = -116.4, r3 = -71.7, r4 = -70.7,
	&end
# 14 TRP PSI:  (14 TRP N)-(14 TRP CA)-(14 TRP C)-(15 PHE N)  99.9 137.9
 &rst     iat =   188,   190,   210,   212,
	  r1 =  98.9, r2 =  99.9, r3 = 137.9, r4 = 138.9,
	&end
# 15 PHE PHI:  (14 TRP C)-(15 PHE N)-(15 PHE CA)-(15 PHE C) -165.7 -99.6
 &rst     iat =   210,   212,   214,   230,
	  r1 = -166.7, r2 = -165.7, r3 = -99.6, r4 = -98.6,
	&end
# 15 PHE PSI:  (15 PHE N)-(15 PHE CA)-(15 PHE C)-(16 GLY N) 118.2 160.8
 &rst     iat =   212,   214,   230,   232,
	  r1 = 117.2, r2 = 118.2, r3 = 160.8, r4 = 161.8,
	&end
# 19 THR PHI:  (18 LYS C)-(19 THR N)-(19 THR CA)-(19 THR C) -124.7 -103.4
 &rst     iat =   273,   275,   277,   287,
	  r1 = -125.7, r2 = -124.7, r3 = -103.4, r4 = -102.4,
	&end
# 20 CYS PSI:  (20 CYX N)-(20 CYX CA)-(20 CYX C)-(21 PRO N) 114.4 135.0
 &rst     iat =   289,   291,   297,   299,
	  r1 = 113.4, r2 = 114.4, r3 = 135.0, r4 = 136.0,
	&end
# 22 SER PSI:  (22 SER N)-(22 SER CA)-(22 SER C)-(23 ASN N) -44.3 -14.1
 &rst     iat =   313,   315,   322,   324,
	  r1 = -45.3, r2 = -44.3, r3 = -14.1, r4 = -13.1,
	&end
# 24 ARG PHI:  (23 ASN C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -109.2 -78.7
 &rst     iat =   336,   338,   340,   360,
	  r1 = -110.2, r2 = -109.2, r3 = -78.7, r4 = -77.7,
	&end
# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 GLY N)  -9.2  17.1
 &rst     iat =   338,   340,   360,   362,
	  r1 = -10.2, r2 =  -9.2, r3 =  17.1, r4 =  18.1,
	&end
# 25 GLY PHI:  (24 ARG C)-(25 GLY N)-(25 GLY CA)-(25 GLY C)  62.8  86.7
 &rst     iat =   360,   362,   364,   367,
	  r1 =  61.8, r2 =  62.8, r3 =  86.7, r4 =  87.7,
	&end
# 25 GLY PSI:  (25 GLY N)-(25 GLY CA)-(25 GLY C)-(26 TYR N)  12.3  39.0
 &rst     iat =   362,   364,   367,   369,
	  r1 =  11.3, r2 =  12.3, r3 =  39.0, r4 =  40.0,
	&end
# 26 TYR PHI:  (25 GLY C)-(26 TYR N)-(26 TYR CA)-(26 TYR C) -119.7 -69.1
 &rst     iat =   367,   369,   371,   388,
	  r1 = -120.7, r2 = -119.7, r3 = -69.1, r4 = -68.1,
	&end
# 26 TYR PSI:  (26 TYR N)-(26 TYR CA)-(26 TYR C)-(27 THR N)  94.2 157.5
 &rst     iat =   369,   371,   388,   390,
	  r1 =  93.2, r2 =  94.2, r3 = 157.5, r4 = 158.5,
	&end
# 27 THR PHI:  (26 TYR C)-(27 THR N)-(27 THR CA)-(27 THR C) -130.6 -82.6
 &rst     iat =   388,   390,   392,   402,
	  r1 = -131.6, r2 = -130.6, r3 = -82.6, r4 = -81.6,
	&end
# 27 THR PSI:  (27 THR N)-(27 THR CA)-(27 THR C)-(28 GLY N) -12.6  32.3
 &rst     iat =   390,   392,   402,   404,
	  r1 = -13.6, r2 = -12.6, r3 =  32.3, r4 =  33.3,
	&end
# 29 SER PHI:  (28 GLY C)-(29 SER N)-(29 SER CA)-(29 SER C) -151.2 -109.9
 &rst     iat =   409,   411,   413,   420,
	  r1 = -152.2, r2 = -151.2, r3 = -109.9, r4 = -108.9,
	&end
# 29 SER PSI:  (29 SER N)-(29 SER CA)-(29 SER C)-(30 CYX N) 147.9 167.9
 &rst     iat =   411,   413,   420,   422,
	  r1 = 146.9, r2 = 147.9, r3 = 167.9, r4 = 168.9,
	&end
# 30 CYS PHI:  (29 SER C)-(30 CYX N)-(30 CYX CA)-(30 CYX C) -148.2 -114.1
 &rst     iat =   420,   422,   424,   430,
	  r1 = -149.2, r2 = -148.2, r3 = -114.1, r4 = -113.1,
	&end
# 30 CYS PSI:  (30 CYX N)-(30 CYX CA)-(30 CYX C)-(31 GLY N) 139.8 161.8
 &rst     iat =   422,   424,   430,   432,
	  r1 = 138.8, r2 = 139.8, r3 = 161.8, r4 = 162.8,
	&end
# 32 TYR PHI:  (31 GLY C)-(32 TYR N)-(32 TYR CA)-(32 TYR C) -140.6 -107.4
 &rst     iat =   437,   439,   441,   458,
	  r1 = -141.6, r2 = -140.6, r3 = -107.4, r4 = -106.4,
	&end
# 36 ILE PSI:  (36 ILE N)-(36 ILE CA)-(36 ILE C)-(37 CYX N) 121.9 158.7
 &rst     iat =   506,   508,   523,   525,
	  r1 = 120.9, r2 = 121.9, r3 = 158.7, r4 = 159.7,
	&end
# 37 CYS PHI:  (36 ILE C)-(37 CYX N)-(37 CYX CA)-(37 CYX C) -140.3 -100.6
 &rst     iat =   523,   525,   527,   533,
	  r1 = -141.3, r2 = -140.3, r3 = -100.6, r4 = -99.6,
	&end
# 37 CYS PSI:  (37 CYX N)-(37 CYX CA)-(37 CYX C)-(38 CYX N) 114.2 151.7
 &rst     iat =   525,   527,   533,   535,
	  r1 = 113.2, r2 = 114.2, r3 = 151.7, r4 = 152.7,
	&end
# 38 CYS PHI:  (37 CYX C)-(38 CYX N)-(38 CYX CA)-(38 CYX C) -139.6 -102.0
 &rst     iat =   533,   535,   537,   543,
	  r1 = -140.6, r2 = -139.6, r3 = -102.0, r4 = -101.0,
	&end
# 38 CYS PSI:  (38 CYX N)-(38 CYX CA)-(38 CYX C)-(39 TYR N) 132.7 156.7
 &rst     iat =   535,   537,   543,   545,
	  r1 = 131.7, r2 = 132.7, r3 = 156.7, r4 = 157.7,
	&end
# 39 TYR PHI:  (38 CYX C)-(39 TYR N)-(39 TYR CA)-(39 TYR C) -144.3 -117.9
 &rst     iat =   543,   545,   547,   564,
	  r1 = -145.3, r2 = -144.3, r3 = -117.9, r4 = -116.9,
	&end
# 40 PRO PSI:  (40 PRO N)-(40 PRO CA)-(40 PRO C)-(41 VAL N) 142.9 162.9
 &rst     iat =   566,   576,   578,   580,
	  r1 = 141.9, r2 = 142.9, r3 = 162.9, r4 = 163.9,
	&end
# 41 VAL PHI:  (40 PRO C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -104.7 -59.8
 &rst     iat =   578,   580,   582,   594,
	  r1 = -105.7, r2 = -104.7, r3 = -59.8, r4 = -58.8,
	&end
# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 ASP N) 113.7 157.7
 &rst     iat =   580,   582,   594,   596,
	  r1 = 112.7, r2 = 113.7, r3 = 157.7, r4 = 158.7,
	&end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -3.258 -12.328   1.809
    2    H2   GLY   1           H2       GLY   1  -3.726 -12.415   0.241
    3    H3   GLY   1           H3       GLY   1  -4.851 -12.374   1.432
    4    HA2  GLY   1           HA2      GLY   1  -2.999 -10.179   0.760
    5    HA3  GLY   1           HA3      GLY   1  -4.718 -10.233   0.328
    6    H    THR   2           H        THR   2  -3.070  -8.388   2.091
    7    HA   THR   2           HA       THR   2  -4.768  -8.473   4.559
    8    HB   THR   2           HB       THR   2  -1.786  -7.874   4.451
    9    HG1  THR   2           HG1      THR   2  -1.603  -9.804   5.592
   10   HG21  THR   2          HG21      THR   2  -3.719  -8.087   6.807
   11   HG22  THR   2          HG22      THR   2  -1.950  -7.959   6.940
   12   HG23  THR   2          HG23      THR   2  -2.874  -6.618   6.262
   13    H    THR   3           H        THR   3  -5.674  -6.511   5.088
   14    HA   THR   3           HA       THR   3  -5.414  -4.322   3.244
   15    HB   THR   3           HB       THR   3  -6.920  -3.276   5.266
   16    HG1  THR   3           HG1      THR   3  -6.887  -5.005   6.635
   17   HG21  THR   3          HG21      THR   3  -7.616  -3.448   3.009
   18   HG22  THR   3          HG22      THR   3  -7.726  -5.227   3.093
   19   HG23  THR   3          HG23      THR   3  -8.860  -4.215   4.023
   20    H    CYS   4           H        CYS   4  -5.080  -2.183   3.688
   21    HA   CYS   4           HA       CYS   4  -3.652  -1.443   6.147
   22    HB2  CYS   4           HB2      CYS   4  -1.881  -0.323   5.044
   23    HB3  CYS   4           HB3      CYS   4  -1.974  -1.924   4.340
   24    H    TYR   5           H        TYR   5  -3.647   0.962   6.535
   25    HA   TYR   5           HA       TYR   5  -5.778   2.435   5.043
   26    HB2  TYR   5           HB2      TYR   5  -5.586   2.161   8.065
   27    HB3  TYR   5           HB3      TYR   5  -6.622   3.297   7.221
   28    HD1  TYR   5           HD1      TYR   5  -6.078  -0.284   8.014
   29    HD2  TYR   5           HD2      TYR   5  -8.695   2.609   6.167
   30    HE1  TYR   5           HE1      TYR   5  -7.904  -1.977   7.954
   31    HE2  TYR   5           HE2      TYR   5 -10.533   0.923   6.144
   32    HH   TYR   5           HH       TYR   5 -10.088  -2.402   7.406
   33    H    CYS   6           H        CYS   6  -5.225   4.460   4.511
   34    HA   CYS   6           HA       CYS   6  -3.570   6.045   6.394
   35    HB2  CYS   6           HB2      CYS   6  -2.587   5.057   3.785
   36    HB3  CYS   6           HB3      CYS   6  -2.421   6.794   3.978
   37    H    GLY   7           H        GLY   7  -4.282   8.114   6.585
   38    HA2  GLY   7           HA2      GLY   7  -5.584   9.989   6.254
   39    HA3  GLY   7           HA3      GLY   7  -5.214   9.802   4.536
   40    H    LYS   8           H        LYS   8  -7.084   7.573   6.563
   41    HA   LYS   8           HA       LYS   8  -9.013   6.482   6.260
   42    HB2  LYS   8           HB2      LYS   8  -9.776   8.783   6.989
   43    HB3  LYS   8           HB3      LYS   8 -10.198   9.105   5.313
   44    HG2  LYS   8           HG2      LYS   8 -12.133   8.513   6.681
   45    HG3  LYS   8           HG3      LYS   8 -11.919   7.363   5.372
   46    HD2  LYS   8           HD2      LYS   8 -10.967   5.707   6.932
   47    HD3  LYS   8           HD3      LYS   8 -11.032   6.894   8.257
   48    HE2  LYS   8           HE2      LYS   8 -13.503   7.009   8.010
   49    HE3  LYS   8           HE3      LYS   8 -13.431   5.844   6.683
   50    HZ1  LYS   8           HZ1      LYS   8 -12.533   4.207   8.256
   51    HZ2  LYS   8           HZ2      LYS   8 -12.594   5.286   9.483
   52    HZ3  LYS   8           HZ3      LYS   8 -13.972   4.759   8.787
   53    H    THR   9           H        THR   9  -7.179   6.711   3.933
   54    HA   THR   9           HA       THR   9  -8.946   5.611   1.799
   55    HB   THR   9           HB       THR   9  -6.054   6.534   1.530
   56    HG1  THR   9           HG1      THR   9  -7.496   8.265   1.817
   57   HG21  THR   9          HG21      THR   9  -8.143   5.665  -0.519
   58   HG22  THR   9          HG22      THR   9  -6.550   6.359  -0.892
   59   HG23  THR   9          HG23      THR   9  -6.657   4.787  -0.089
   60    H    ILE  10           H        ILE  10  -9.145   3.532   2.101
   61    HA   ILE  10           HA       ILE  10  -7.196   1.847   3.447
   62    HB   ILE  10           HB       ILE  10  -9.626   1.555   3.656
   63   HG12  ILE  10          HG12      ILE  10  -8.260  -0.866   2.403
   64   HG13  ILE  10          HG13      ILE  10  -8.203  -0.370   4.099
   65   HG21  ILE  10          HG21      ILE  10 -10.167   2.240   1.312
   66   HG22  ILE  10          HG22      ILE  10  -9.597   0.652   0.759
   67   HG23  ILE  10          HG23      ILE  10 -11.012   0.784   1.834
   68   HD11  ILE  10          HD11      ILE  10  -9.804  -2.123   3.967
   69   HD12  ILE  10          HD12      ILE  10 -10.744  -0.634   4.150
   70   HD13  ILE  10          HD13      ILE  10 -10.602  -1.414   2.556
   71    H    GLY  11           H        GLY  11  -5.914   0.234   2.545
   72    HA2  GLY  11           HA2      GLY  11  -5.710  -0.035  -0.408
   73    HA3  GLY  11           HA3      GLY  11  -4.291   0.448   0.513
   74    H    ILE  12           H        ILE  12  -3.576  -1.462  -0.620
   75    HA   ILE  12           HA       ILE  12  -3.960  -3.990   0.880
   76    HB   ILE  12           HB       ILE  12  -3.632  -3.362  -1.903
   77   HG12  ILE  12          HG12      ILE  12  -5.129  -5.023  -1.107
   78   HG13  ILE  12          HG13      ILE  12  -4.009  -5.682  -2.293
   79   HG21  ILE  12          HG21      ILE  12  -1.219  -4.879  -0.908
   80   HG22  ILE  12          HG22      ILE  12  -1.815  -4.865  -2.564
   81   HG23  ILE  12          HG23      ILE  12  -1.308  -3.336  -1.811
   82   HD11  ILE  12          HD11      ILE  12  -4.308  -7.358  -0.643
   83   HD12  ILE  12          HD12      ILE  12  -2.678  -6.704  -0.390
   84   HD13  ILE  12          HD13      ILE  12  -4.026  -6.223   0.674
   85    H    TYR  13           H        TYR  13  -2.274  -4.875   1.961
   86    HA   TYR  13           HA       TYR  13   0.045  -3.088   2.543
   87    HB2  TYR  13           HB2      TYR  13  -1.102  -3.914   4.501
   88    HB3  TYR  13           HB3      TYR  13  -0.995  -5.569   3.924
   89    HD1  TYR  13           HD1      TYR  13   1.338  -2.667   4.585
   90    HD2  TYR  13           HD2      TYR  13   0.650  -6.921   4.849
   91    HE1  TYR  13           HE1      TYR  13   3.591  -2.977   5.615
   92    HE2  TYR  13           HE2      TYR  13   2.879  -7.217   5.896
   93    HH   TYR  13           HH       TYR  13   4.796  -6.193   6.611
   94    H    TRP  14           H        TRP  14   1.993  -3.399   1.756
   95    HA   TRP  14           HA       TRP  14   2.737  -6.034   0.541
   96    HB2  TRP  14           HB2      TRP  14   3.571  -3.210  -0.092
   97    HB3  TRP  14           HB3      TRP  14   4.534  -4.593  -0.565
   98    HD1  TRP  14           HD1      TRP  14   1.270  -2.858  -1.394
   99    HE1  TRP  14           HE1      TRP  14   0.230  -3.894  -3.517
  100    HE3  TRP  14           HE3      TRP  14   4.510  -6.770  -2.067
  101    HZ2  TRP  14           HZ2      TRP  14   0.707  -6.141  -5.219
  102    HZ3  TRP  14           HZ3      TRP  14   4.193  -8.345  -3.965
  103    HH2  TRP  14           HH2      TRP  14   2.294  -8.051  -5.541
  104    H    PHE  15           H        PHE  15   3.956  -7.247   1.702
  105    HA   PHE  15           HA       PHE  15   5.515  -6.292   4.002
  106    HB2  PHE  15           HB2      PHE  15   4.129  -8.323   4.139
  107    HB3  PHE  15           HB3      PHE  15   5.035  -9.055   2.825
  108    HD1  PHE  15           HD1      PHE  15   7.321  -9.919   3.165
  109    HD2  PHE  15           HD2      PHE  15   5.109  -8.120   6.401
  110    HE1  PHE  15           HE1      PHE  15   8.996 -10.767   4.790
  111    HE2  PHE  15           HE2      PHE  15   6.796  -8.938   8.013
  112    HZ   PHE  15           HZ       PHE  15   8.745 -10.270   7.216
  113    H    GLY  16           H        GLY  16   7.715  -6.250   4.183
  114    HA2  GLY  16           HA2      GLY  16   9.945  -6.531   3.709
  115    HA3  GLY  16           HA3      GLY  16   9.485  -7.799   2.572
  116    H    THR  17           H        THR  17   8.215  -4.618   1.962
  117    HA   THR  17           HA       THR  17  10.415  -3.806   0.190
  118    HB   THR  17           HB       THR  17   8.703  -5.014  -1.240
  119    HG1  THR  17           HG1      THR  17   8.733  -3.349  -2.755
  120   HG21  THR  17          HG21      THR  17   6.625  -4.120  -1.743
  121   HG22  THR  17          HG22      THR  17   6.681  -4.135   0.033
  122   HG23  THR  17          HG23      THR  17   6.939  -2.621  -0.867
  123    H    LYS  18           H        LYS  18   9.931  -1.568  -0.572
  124    HA   LYS  18           HA       LYS  18   8.599   0.143   1.481
  125    HB2  LYS  18           HB2      LYS  18  11.109  -0.253   1.878
  126    HB3  LYS  18           HB3      LYS  18  11.403   0.671   0.416
  127    HG2  LYS  18           HG2      LYS  18  11.669   2.036   2.425
  128    HG3  LYS  18           HG3      LYS  18  10.394   2.645   1.380
  129    HD2  LYS  18           HD2      LYS  18   9.827   2.792   3.794
  130    HD3  LYS  18           HD3      LYS  18   8.662   1.819   2.901
  131    HE2  LYS  18           HE2      LYS  18   9.802  -0.262   3.692
  132    HE3  LYS  18           HE3      LYS  18  10.980   0.729   4.564
  133    HZ1  LYS  18           HZ1      LYS  18   8.058   0.580   5.129
  134    HZ2  LYS  18           HZ2      LYS  18   9.260   0.008   6.069
  135    HZ3  LYS  18           HZ3      LYS  18   9.090   1.618   5.881
  136    H    THR  19           H        THR  19   8.899  -0.536  -1.672
  137    HA   THR  19           HA       THR  19   7.516   1.985  -2.475
  138    HB   THR  19           HB       THR  19   9.831   1.842  -3.461
  139    HG1  THR  19           HG1      THR  19   9.058   2.543  -5.439
  140   HG21  THR  19          HG21      THR  19  10.190   0.405  -5.399
  141   HG22  THR  19          HG22      THR  19   9.840  -0.614  -3.993
  142   HG23  THR  19          HG23      THR  19   8.581  -0.328  -5.215
  143    H    CYS  20           H        CYS  20   5.999   1.693  -4.300
  144    HA   CYS  20           HA       CYS  20   4.558  -0.872  -3.982
  145    HB2  CYS  20           HB2      CYS  20   3.654   1.775  -5.139
  146    HB3  CYS  20           HB3      CYS  20   2.654   0.326  -5.043
  147    HA   PRO  21           HA       PRO  21   5.873  -2.170  -8.076
  148    HB2  PRO  21           HB2      PRO  21   3.966  -4.150  -8.531
  149    HB3  PRO  21           HB3      PRO  21   5.427  -4.345  -7.509
  150    HG2  PRO  21           HG2      PRO  21   2.606  -3.706  -6.658
  151    HG3  PRO  21           HG3      PRO  21   3.750  -4.847  -5.898
  152    HD2  PRO  21           HD2      PRO  21   3.293  -2.369  -4.923
  153    HD3  PRO  21           HD3      PRO  21   4.914  -3.123  -4.832
  154    H    SER  22           H        SER  22   5.613  -1.085  -9.830
  155    HA   SER  22           HA       SER  22   3.598   0.789 -10.203
  156    HB2  SER  22           HB2      SER  22   5.504  -0.281 -12.317
  157    HB3  SER  22           HB3      SER  22   4.741   1.317 -12.257
  158    HG   SER  22           HG       SER  22   6.897   1.373 -11.482
  159    H    ASN  23           H        ASN  23   3.774  -2.434 -11.671
  160    HA   ASN  23           HA       ASN  23   1.802  -1.858 -13.738
  161    HB2  ASN  23           HB2      ASN  23   3.058  -4.463 -12.780
  162    HB3  ASN  23           HB3      ASN  23   2.041  -4.306 -14.207
  163   HD21  ASN  23          HD21      ASN  23   5.233  -4.489 -13.338
  164   HD22  ASN  23          HD22      ASN  23   5.906  -3.601 -14.696
  165    H    ARG  24           H        ARG  24   1.369  -2.388 -10.463
  166    HA   ARG  24           HA       ARG  24  -1.045  -4.075 -10.585
  167    HB2  ARG  24           HB2      ARG  24   0.551  -2.803  -8.371
  168    HB3  ARG  24           HB3      ARG  24  -0.909  -3.745  -8.087
  169    HG2  ARG  24           HG2      ARG  24   0.965  -5.154  -9.916
  170    HG3  ARG  24           HG3      ARG  24   1.709  -4.745  -8.384
  171    HD2  ARG  24           HD2      ARG  24   0.764  -6.921  -8.233
  172    HD3  ARG  24           HD3      ARG  24  -0.111  -5.820  -7.170
  173    HE   ARG  24           HE       ARG  24  -1.107  -6.921  -9.775
  174   HH11  ARG  24          HH11      ARG  24  -1.974  -5.401  -6.678
  175   HH12  ARG  24          HH12      ARG  24  -3.656  -5.888  -6.925
  176   HH21  ARG  24          HH21      ARG  24  -3.328  -7.375  -9.877
  177   HH22  ARG  24          HH22      ARG  24  -4.326  -6.883  -8.507
  178    H    GLY  25           H        GLY  25  -0.579  -0.750 -10.964
  179    HA2  GLY  25           HA2      GLY  25  -2.231   0.762 -11.566
  180    HA3  GLY  25           HA3      GLY  25  -3.477  -0.353 -11.008
  181    H    TYR  26           H        TYR  26  -0.947   0.488  -8.726
  182    HA   TYR  26           HA       TYR  26  -2.832   1.687  -6.919
  183    HB2  TYR  26           HB2      TYR  26   0.202   1.590  -6.834
  184    HB3  TYR  26           HB3      TYR  26  -0.832   2.099  -5.498
  185    HD1  TYR  26           HD1      TYR  26   1.083  -0.608  -6.543
  186    HD2  TYR  26           HD2      TYR  26  -2.905   0.288  -5.117
  187    HE1  TYR  26           HE1      TYR  26   0.755  -2.975  -5.874
  188    HE2  TYR  26           HE2      TYR  26  -3.209  -2.079  -4.477
  189    HH   TYR  26           HH       TYR  26  -2.320  -4.195  -4.572
  190    H    THR  27           H        THR  27  -3.253   3.745  -6.385
  191    HA   THR  27           HA       THR  27  -2.269   5.889  -8.216
  192    HB   THR  27           HB       THR  27  -4.736   5.301  -8.001
  193    HG1  THR  27           HG1      THR  27  -4.131   7.192  -8.954
  194   HG21  THR  27          HG21      THR  27  -6.024   6.260  -6.216
  195   HG22  THR  27          HG22      THR  27  -4.811   5.203  -5.477
  196   HG23  THR  27          HG23      THR  27  -4.586   6.962  -5.450
  197    H    GLY  28           H        GLY  28  -1.892   4.800  -4.985
  198    HA2  GLY  28           HA2      GLY  28   0.038   6.830  -4.384
  199    HA3  GLY  28           HA3      GLY  28  -1.448   7.129  -3.486
  200    H    SER  29           H        SER  29   0.616   6.746  -1.953
  201    HA   SER  29           HA       SER  29   0.332   4.096  -0.710
  202    HB2  SER  29           HB2      SER  29   2.673   3.537  -0.928
  203    HB3  SER  29           HB3      SER  29   1.970   3.790  -2.537
  204    HG   SER  29           HG       SER  29   3.996   4.831  -2.361
  205    H    CYS  30           H        CYS  30   1.641   3.847   1.251
  206    HA   CYS  30           HA       CYS  30   3.029   6.153   2.322
  207    HB2  CYS  30           HB2      CYS  30   1.752   6.480   4.317
  208    HB3  CYS  30           HB3      CYS  30   0.614   6.567   2.971
  209    H    GLY  31           H        GLY  31   4.588   5.608   3.879
  210    HA2  GLY  31           HA2      GLY  31   5.431   2.876   4.005
  211    HA3  GLY  31           HA3      GLY  31   6.030   4.179   5.029
  212    H    TYR  32           H        TYR  32   5.073   1.265   5.526
  213    HA   TYR  32           HA       TYR  32   3.024   1.803   7.640
  214    HB2  TYR  32           HB2      TYR  32   2.361   0.816   5.276
  215    HB3  TYR  32           HB3      TYR  32   2.988  -0.682   5.935
  216    HD1  TYR  32           HD1      TYR  32   1.462  -2.034   7.233
  217    HD2  TYR  32           HD2      TYR  32   0.636   2.159   6.610
  218    HE1  TYR  32           HE1      TYR  32  -0.823  -2.343   8.164
  219    HE2  TYR  32           HE2      TYR  32  -1.639   1.848   7.568
  220    HH   TYR  32           HH       TYR  32  -2.817  -1.331   8.713
  221    H    PHE  33           H        PHE  33   2.769  -0.168   9.124
  222    HA   PHE  33           HA       PHE  33   5.209  -0.693  10.476
  223    HB2  PHE  33           HB2      PHE  33   2.950  -0.850  11.469
  224    HB3  PHE  33           HB3      PHE  33   2.628  -2.271  10.466
  225    HD1  PHE  33           HD1      PHE  33   5.299  -1.094  12.881
  226    HD2  PHE  33           HD2      PHE  33   2.743  -4.321  11.582
  227    HE1  PHE  33           HE1      PHE  33   6.218  -2.548  14.672
  228    HE2  PHE  33           HE2      PHE  33   3.651  -5.762  13.388
  229    HZ   PHE  33           HZ       PHE  33   5.395  -4.882  14.929
  230    H    LEU  34           H        LEU  34   6.826  -1.983  10.022
  231    HA   LEU  34           HA       LEU  34   8.209  -3.439   9.114
  232    HB2  LEU  34           HB2      LEU  34   5.872  -5.339   8.889
  233    HB3  LEU  34           HB3      LEU  34   7.573  -5.775   8.912
  234    HG   LEU  34           HG       LEU  34   6.068  -4.500  11.236
  235   HD11  LEU  34          HD11      LEU  34   6.994  -7.351  10.758
  236   HD12  LEU  34          HD12      LEU  34   6.216  -6.729  12.237
  237   HD13  LEU  34          HD13      LEU  34   5.317  -6.758  10.708
  238   HD21  LEU  34          HD21      LEU  34   8.456  -3.942  11.344
  239   HD22  LEU  34          HD22      LEU  34   8.043  -5.138  12.575
  240   HD23  LEU  34          HD23      LEU  34   8.886  -5.651  11.094
  241    H    GLY  35           H        GLY  35   6.069  -2.038   7.111
  242    HA2  GLY  35           HA2      GLY  35   7.567  -2.702   4.670
  243    HA3  GLY  35           HA3      GLY  35   5.978  -3.448   4.737
  244    H    ILE  36           H        ILE  36   4.755  -2.381   3.309
  245    HA   ILE  36           HA       ILE  36   4.328   0.536   3.606
  246    HB   ILE  36           HB       ILE  36   6.042   0.625   2.054
  247   HG12  ILE  36          HG12      ILE  36   3.580   0.583   0.273
  248   HG13  ILE  36          HG13      ILE  36   3.891   1.841   1.447
  249   HG21  ILE  36          HG21      ILE  36   4.751  -1.465   0.273
  250   HG22  ILE  36          HG22      ILE  36   6.324  -0.685   0.064
  251   HG23  ILE  36          HG23      ILE  36   6.086  -1.825   1.380
  252   HD11  ILE  36          HD11      ILE  36   4.615   2.620  -0.703
  253   HD12  ILE  36          HD12      ILE  36   6.036   2.377   0.312
  254   HD13  ILE  36          HD13      ILE  36   5.609   1.177  -0.951
  255    H    CYS  37           H        CYS  37   2.426   1.309   2.890
  256    HA   CYS  37           HA       CYS  37   0.231  -0.607   2.251
  257    HB2  CYS  37           HB2      CYS  37  -0.014   0.760   4.249
  258    HB3  CYS  37           HB3      CYS  37   0.412   2.207   3.356
  259    H    CYS  38           H        CYS  38  -0.579  -0.552   0.198
  260    HA   CYS  38           HA       CYS  38  -0.007   1.760  -1.625
  261    HB2  CYS  38           HB2      CYS  38  -0.079  -1.186  -2.303
  262    HB3  CYS  38           HB3      CYS  38   0.223   0.119  -3.435
  263    H    TYR  39           H        TYR  39  -1.835   2.525  -2.681
  264    HA   TYR  39           HA       TYR  39  -4.370   1.016  -2.319
  265    HB2  TYR  39           HB2      TYR  39  -5.488   3.126  -1.604
  266    HB3  TYR  39           HB3      TYR  39  -4.397   2.395  -0.464
  267    HD1  TYR  39           HD1      TYR  39  -2.642   3.597   0.532
  268    HD2  TYR  39           HD2      TYR  39  -4.735   5.221  -2.877
  269    HE1  TYR  39           HE1      TYR  39  -1.616   5.823   0.965
  270    HE2  TYR  39           HE2      TYR  39  -3.719   7.454  -2.428
  271    HH   TYR  39           HH       TYR  39  -1.440   8.010   0.278
  272    HA   PRO  40           HA       PRO  40  -6.812   1.802  -2.711
  273    HB2  PRO  40           HB2      PRO  40  -8.567   0.667  -4.441
  274    HB3  PRO  40           HB3      PRO  40  -8.346   2.438  -4.311
  275    HG2  PRO  40           HG2      PRO  40  -7.039   0.548  -6.308
  276    HG3  PRO  40           HG3      PRO  40  -7.948   2.058  -6.653
  277    HD2  PRO  40           HD2      PRO  40  -5.242   2.058  -6.483
  278    HD3  PRO  40           HD3      PRO  40  -6.203   3.411  -5.818
  279    H    VAL  41           H        VAL  41  -7.774  -0.210  -2.008
  280    HA   VAL  41           HA       VAL  41  -6.011  -2.435  -1.847
  281    HB   VAL  41           HB       VAL  41  -7.664  -1.725  -0.139
  282   HG11  VAL  41          HG11      VAL  41  -9.792  -3.043  -1.856
  283   HG12  VAL  41          HG12      VAL  41  -9.988  -2.349  -0.236
  284   HG13  VAL  41          HG13      VAL  41  -9.625  -1.291  -1.605
  285   HG21  VAL  41          HG21      VAL  41  -7.943  -4.623  -1.000
  286   HG22  VAL  41          HG22      VAL  41  -6.685  -3.927   0.057
  287   HG23  VAL  41          HG23      VAL  41  -8.364  -3.956   0.587
  288    H    ASP  42           H        ASP  42  -5.981  -4.433  -2.835
  289    HA   ASP  42           HA       ASP  42  -6.881  -4.599  -5.549
  290    HB2  ASP  42           HB2      ASP  42  -4.802  -5.612  -4.670
  291    HB3  ASP  42           HB3      ASP  42  -5.758  -6.775  -3.752
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -5.756 -13.378   3.715
    2    H2   GLY   1           H2       GLY   1  -4.369 -13.266   2.853
    3    H3   GLY   1           H3       GLY   1  -5.755 -13.737   2.115
    4    HA2  GLY   1           HA2      GLY   1  -5.249 -11.456   1.536
    5    HA3  GLY   1           HA3      GLY   1  -6.762 -11.586   2.450
    6    H    THR   2           H        THR   2  -5.091  -9.243   2.224
    7    HA   THR   2           HA       THR   2  -4.808  -8.585   5.059
    8    HB   THR   2           HB       THR   2  -2.593  -9.540   4.484
    9    HG1  THR   2           HG1      THR   2  -1.554  -7.989   5.550
   10   HG21  THR   2          HG21      THR   2  -2.270  -7.117   2.661
   11   HG22  THR   2          HG22      THR   2  -1.013  -8.286   3.108
   12   HG23  THR   2          HG23      THR   2  -2.386  -8.805   2.118
   13    H    THR   3           H        THR   3  -4.270  -6.192   5.325
   14    HA   THR   3           HA       THR   3  -5.258  -4.429   3.178
   15    HB   THR   3           HB       THR   3  -6.801  -3.703   5.408
   16    HG1  THR   3           HG1      THR   3  -6.668  -5.703   6.352
   17   HG21  THR   3          HG21      THR   3  -7.503  -3.466   3.091
   18   HG22  THR   3          HG22      THR   3  -7.590  -5.233   2.898
   19   HG23  THR   3          HG23      THR   3  -8.723  -4.397   3.983
   20    H    CYS   4           H        CYS   4  -5.122  -2.169   3.698
   21    HA   CYS   4           HA       CYS   4  -3.689  -1.398   6.161
   22    HB2  CYS   4           HB2      CYS   4  -1.928  -0.302   5.055
   23    HB3  CYS   4           HB3      CYS   4  -2.005  -1.904   4.356
   24    H    TYR   5           H        TYR   5  -3.742   0.990   6.548
   25    HA   TYR   5           HA       TYR   5  -5.877   2.421   5.016
   26    HB2  TYR   5           HB2      TYR   5  -5.700   2.169   8.039
   27    HB3  TYR   5           HB3      TYR   5  -6.754   3.279   7.180
   28    HD1  TYR   5           HD1      TYR   5  -6.154  -0.283   8.014
   29    HD2  TYR   5           HD2      TYR   5  -8.792   2.540   6.089
   30    HE1  TYR   5           HE1      TYR   5  -7.955  -2.008   7.942
   31    HE2  TYR   5           HE2      TYR   5 -10.597   0.828   6.052
   32    HH   TYR   5           HH       TYR   5 -11.206  -1.317   6.605
   33    H    CYS   6           H        CYS   6  -5.387   4.438   4.477
   34    HA   CYS   6           HA       CYS   6  -3.716   6.115   6.256
   35    HB2  CYS   6           HB2      CYS   6  -2.744   4.980   3.694
   36    HB3  CYS   6           HB3      CYS   6  -2.554   6.720   3.810
   37    H    GLY   7           H        GLY   7  -4.406   8.201   6.305
   38    HA2  GLY   7           HA2      GLY   7  -5.560  10.125   5.770
   39    HA3  GLY   7           HA3      GLY   7  -5.068   9.784   4.108
   40    H    LYS   8           H        LYS   8  -7.356   8.036   6.219
   41    HA   LYS   8           HA       LYS   8  -9.440   7.214   5.905
   42    HB2  LYS   8           HB2      LYS   8  -9.773   9.780   6.031
   43    HB3  LYS   8           HB3      LYS   8 -10.181   9.670   4.317
   44    HG2  LYS   8           HG2      LYS   8 -12.039   8.107   4.877
   45    HG3  LYS   8           HG3      LYS   8 -11.563   8.149   6.584
   46    HD2  LYS   8           HD2      LYS   8 -11.996  10.589   6.650
   47    HD3  LYS   8           HD3      LYS   8 -12.488  10.564   4.953
   48    HE2  LYS   8           HE2      LYS   8 -13.847   8.980   7.187
   49    HE3  LYS   8           HE3      LYS   8 -14.369  10.573   6.645
   50    HZ1  LYS   8           HZ1      LYS   8 -14.753   9.639   4.426
   51    HZ2  LYS   8           HZ2      LYS   8 -14.297   8.151   4.924
   52    HZ3  LYS   8           HZ3      LYS   8 -15.637   8.845   5.543
   53    H    THR   9           H        THR   9  -7.397   6.646   3.849
   54    HA   THR   9           HA       THR   9  -9.146   5.509   1.711
   55    HB   THR   9           HB       THR   9  -6.229   6.339   1.383
   56    HG1  THR   9           HG1      THR   9  -7.557   8.154   1.547
   57   HG21  THR   9          HG21      THR   9  -6.740   6.036  -1.026
   58   HG22  THR   9          HG22      THR   9  -6.908   4.523  -0.127
   59   HG23  THR   9          HG23      THR   9  -8.360   5.431  -0.611
   60    H    ILE  10           H        ILE  10  -9.233   3.390   1.842
   61    HA   ILE  10           HA       ILE  10  -7.291   1.792   3.369
   62    HB   ILE  10           HB       ILE  10  -9.686   1.403   3.602
   63   HG12  ILE  10          HG12      ILE  10  -8.257  -0.958   2.306
   64   HG13  ILE  10          HG13      ILE  10  -8.203  -0.479   4.007
   65   HG21  ILE  10          HG21      ILE  10 -11.072   0.576   1.792
   66   HG22  ILE  10          HG22      ILE  10 -10.331   2.096   1.310
   67   HG23  ILE  10          HG23      ILE  10  -9.675   0.568   0.686
   68   HD11  ILE  10          HD11      ILE  10 -10.730  -0.843   4.077
   69   HD12  ILE  10          HD12      ILE  10 -10.571  -1.602   2.475
   70   HD13  ILE  10          HD13      ILE  10  -9.730  -2.291   3.871
   71    H    GLY  11           H        GLY  11  -5.918   0.273   2.532
   72    HA2  GLY  11           HA2      GLY  11  -5.625  -0.022  -0.419
   73    HA3  GLY  11           HA3      GLY  11  -4.253   0.447   0.567
   74    H    ILE  12           H        ILE  12  -3.515  -1.463  -0.569
   75    HA   ILE  12           HA       ILE  12  -3.946  -3.979   0.935
   76    HB   ILE  12           HB       ILE  12  -3.640  -3.395  -1.842
   77   HG12  ILE  12          HG12      ILE  12  -5.088  -5.064  -0.919
   78   HG13  ILE  12          HG13      ILE  12  -4.051  -5.705  -2.186
   79   HG21  ILE  12          HG21      ILE  12  -1.183  -4.859  -0.864
   80   HG22  ILE  12          HG22      ILE  12  -1.808  -4.870  -2.513
   81   HG23  ILE  12          HG23      ILE  12  -1.310  -3.328  -1.777
   82   HD11  ILE  12          HD11      ILE  12  -2.600  -6.835  -0.585
   83   HD12  ILE  12          HD12      ILE  12  -3.515  -6.156   0.775
   84   HD13  ILE  12          HD13      ILE  12  -4.286  -7.314  -0.325
   85    H    TYR  13           H        TYR  13  -2.235  -4.906   2.014
   86    HA   TYR  13           HA       TYR  13   0.075  -3.117   2.602
   87    HB2  TYR  13           HB2      TYR  13  -1.063  -3.866   4.566
   88    HB3  TYR  13           HB3      TYR  13  -1.045  -5.534   4.021
   89    HD1  TYR  13           HD1      TYR  13   1.353  -2.715   4.787
   90    HD2  TYR  13           HD2      TYR  13   0.625  -6.970   4.794
   91    HE1  TYR  13           HE1      TYR  13   3.569  -3.101   5.877
   92    HE2  TYR  13           HE2      TYR  13   2.820  -7.347   5.892
   93    HH   TYR  13           HH       TYR  13   4.677  -6.394   6.761
   94    H    TRP  14           H        TRP  14   2.013  -3.452   1.856
   95    HA   TRP  14           HA       TRP  14   2.834  -6.115   0.748
   96    HB2  TRP  14           HB2      TRP  14   3.504  -3.280  -0.059
   97    HB3  TRP  14           HB3      TRP  14   4.492  -4.653  -0.532
   98    HD1  TRP  14           HD1      TRP  14   1.275  -2.898  -1.351
   99    HE1  TRP  14           HE1      TRP  14   0.216  -3.926  -3.473
  100    HE3  TRP  14           HE3      TRP  14   4.360  -6.948  -1.929
  101    HZ2  TRP  14           HZ2      TRP  14   0.660  -6.184  -5.176
  102    HZ3  TRP  14           HZ3      TRP  14   4.027  -8.515  -3.829
  103    HH2  TRP  14           HH2      TRP  14   2.182  -8.152  -5.453
  104    H    PHE  15           H        PHE  15   4.551  -7.093   1.653
  105    HA   PHE  15           HA       PHE  15   5.904  -5.789   3.958
  106    HB2  PHE  15           HB2      PHE  15   4.815  -7.848   4.475
  107    HB3  PHE  15           HB3      PHE  15   5.507  -8.654   3.077
  108    HD1  PHE  15           HD1      PHE  15   7.228 -10.166   3.492
  109    HD2  PHE  15           HD2      PHE  15   6.782  -6.770   6.114
  110    HE1  PHE  15           HE1      PHE  15   9.133 -10.968   4.865
  111    HE2  PHE  15           HE2      PHE  15   8.686  -7.570   7.476
  112    HZ   PHE  15           HZ       PHE  15   9.867  -9.673   6.860
  113    H    GLY  16           H        GLY  16   8.064  -5.506   4.125
  114    HA2  GLY  16           HA2      GLY  16  10.298  -5.484   3.738
  115    HA3  GLY  16           HA3      GLY  16  10.061  -6.925   2.759
  116    H    THR  17           H        THR  17   8.368  -5.274   0.831
  117    HA   THR  17           HA       THR  17  10.436  -4.776  -1.051
  118    HB   THR  17           HB       THR  17   8.232  -5.677  -1.584
  119    HG1  THR  17           HG1      THR  17   7.912  -4.476  -3.457
  120   HG21  THR  17          HG21      THR  17   6.746  -4.366  -0.179
  121   HG22  THR  17          HG22      THR  17   7.169  -2.877  -1.038
  122   HG23  THR  17          HG23      THR  17   6.288  -4.162  -1.878
  123    H    LYS  18           H        LYS  18   8.913  -2.556   1.116
  124    HA   LYS  18           HA       LYS  18   9.082  -0.361   1.587
  125    HB2  LYS  18           HB2      LYS  18  11.498  -1.131   1.551
  126    HB3  LYS  18           HB3      LYS  18  11.651  -0.333  -0.017
  127    HG2  LYS  18           HG2      LYS  18  11.101   1.845   1.021
  128    HG3  LYS  18           HG3      LYS  18  10.774   1.045   2.560
  129    HD2  LYS  18           HD2      LYS  18  12.962   2.079   2.661
  130    HD3  LYS  18           HD3      LYS  18  13.127   0.329   2.718
  131    HE2  LYS  18           HE2      LYS  18  14.867   1.161   1.312
  132    HE3  LYS  18           HE3      LYS  18  13.716   0.324   0.274
  133    HZ1  LYS  18           HZ1      LYS  18  14.400   2.465  -0.665
  134    HZ2  LYS  18           HZ2      LYS  18  12.803   2.518  -0.341
  135    HZ3  LYS  18           HZ3      LYS  18  13.866   3.275   0.643
  136    H    THR  19           H        THR  19   9.018  -1.026  -1.807
  137    HA   THR  19           HA       THR  19   7.662   1.604  -2.270
  138    HB   THR  19           HB       THR  19   9.926   1.414  -3.360
  139    HG1  THR  19           HG1      THR  19   9.126   2.328  -5.238
  140   HG21  THR  19          HG21      THR  19  10.135   0.136  -5.422
  141   HG22  THR  19          HG22      THR  19   9.763  -0.983  -4.100
  142   HG23  THR  19          HG23      THR  19   8.489  -0.513  -5.247
  143    H    CYS  20           H        CYS  20   6.079   1.551  -4.103
  144    HA   CYS  20           HA       CYS  20   4.484  -0.933  -3.926
  145    HB2  CYS  20           HB2      CYS  20   3.766   1.809  -4.983
  146    HB3  CYS  20           HB3      CYS  20   2.680   0.418  -4.980
  147    HA   PRO  21           HA       PRO  21   5.801  -2.128  -8.042
  148    HB2  PRO  21           HB2      PRO  21   3.917  -4.084  -8.574
  149    HB3  PRO  21           HB3      PRO  21   5.331  -4.298  -7.495
  150    HG2  PRO  21           HG2      PRO  21   2.484  -3.647  -6.748
  151    HG3  PRO  21           HG3      PRO  21   3.582  -4.818  -5.966
  152    HD2  PRO  21           HD2      PRO  21   3.125  -2.335  -4.971
  153    HD3  PRO  21           HD3      PRO  21   4.717  -3.138  -4.822
  154    H    SER  22           H        SER  22   5.495  -0.887  -9.782
  155    HA   SER  22           HA       SER  22   3.353   0.934  -9.985
  156    HB2  SER  22           HB2      SER  22   5.685   1.245 -10.802
  157    HB3  SER  22           HB3      SER  22   5.337   0.148 -12.152
  158    HG   SER  22           HG       SER  22   5.076   2.380 -12.696
  159    H    ASN  23           H        ASN  23   3.800  -2.127 -11.734
  160    HA   ASN  23           HA       ASN  23   1.748  -1.651 -13.700
  161    HB2  ASN  23           HB2      ASN  23   3.121  -4.219 -12.791
  162    HB3  ASN  23           HB3      ASN  23   2.096  -4.078 -14.214
  163   HD21  ASN  23          HD21      ASN  23   5.309  -4.045 -13.284
  164   HD22  ASN  23          HD22      ASN  23   5.932  -3.141 -14.655
  165    H    ARG  24           H        ARG  24   1.325  -2.256 -10.435
  166    HA   ARG  24           HA       ARG  24  -1.066  -3.987 -10.611
  167    HB2  ARG  24           HB2      ARG  24   0.509  -2.792  -8.345
  168    HB3  ARG  24           HB3      ARG  24  -0.960  -3.728  -8.113
  169    HG2  ARG  24           HG2      ARG  24   0.857  -5.126  -9.982
  170    HG3  ARG  24           HG3      ARG  24   1.682  -4.724  -8.494
  171    HD2  ARG  24           HD2      ARG  24   0.731  -6.883  -8.272
  172    HD3  ARG  24           HD3      ARG  24  -0.121  -5.771  -7.196
  173    HE   ARG  24           HE       ARG  24  -1.168  -6.893  -9.775
  174   HH11  ARG  24          HH11      ARG  24  -1.987  -5.384  -6.657
  175   HH12  ARG  24          HH12      ARG  24  -3.673  -5.867  -6.883
  176   HH21  ARG  24          HH21      ARG  24  -3.391  -7.342  -9.845
  177   HH22  ARG  24          HH22      ARG  24  -4.366  -6.855  -8.457
  178    H    GLY  25           H        GLY  25  -0.604  -0.651 -10.910
  179    HA2  GLY  25           HA2      GLY  25  -2.258   0.850 -11.521
  180    HA3  GLY  25           HA3      GLY  25  -3.503  -0.277 -10.990
  181    H    TYR  26           H        TYR  26  -1.013   0.563  -8.670
  182    HA   TYR  26           HA       TYR  26  -2.921   1.744  -6.873
  183    HB2  TYR  26           HB2      TYR  26   0.114   1.669  -6.764
  184    HB3  TYR  26           HB3      TYR  26  -0.935   2.157  -5.434
  185    HD1  TYR  26           HD1      TYR  26   0.990  -0.521  -6.544
  186    HD2  TYR  26           HD2      TYR  26  -2.973   0.325  -5.038
  187    HE1  TYR  26           HE1      TYR  26   0.704  -2.898  -5.872
  188    HE2  TYR  26           HE2      TYR  26  -3.236  -2.047  -4.389
  189    HH   TYR  26           HH       TYR  26  -2.324  -4.155  -4.503
  190    H    THR  27           H        THR  27  -3.333   3.823  -6.304
  191    HA   THR  27           HA       THR  27  -2.336   5.985  -8.104
  192    HB   THR  27           HB       THR  27  -4.274   7.263  -7.318
  193    HG1  THR  27           HG1      THR  27  -5.807   6.255  -6.041
  194   HG21  THR  27          HG21      THR  27  -5.107   4.483  -8.262
  195   HG22  THR  27          HG22      THR  27  -6.027   5.993  -8.428
  196   HG23  THR  27          HG23      THR  27  -4.507   5.785  -9.313
  197    H    GLY  28           H        GLY  28  -1.959   4.836  -4.881
  198    HA2  GLY  28           HA2      GLY  28   0.032   6.833  -4.318
  199    HA3  GLY  28           HA3      GLY  28  -1.418   7.128  -3.366
  200    H    SER  29           H        SER  29   0.662   6.721  -1.888
  201    HA   SER  29           HA       SER  29   0.413   4.050  -0.685
  202    HB2  SER  29           HB2      SER  29   2.765   3.526  -0.908
  203    HB3  SER  29           HB3      SER  29   2.044   3.776  -2.512
  204    HG   SER  29           HG       SER  29   4.062   4.841  -2.342
  205    H    CYS  30           H        CYS  30   1.692   3.785   1.285
  206    HA   CYS  30           HA       CYS  30   3.063   6.073   2.398
  207    HB2  CYS  30           HB2      CYS  30   1.721   6.394   4.378
  208    HB3  CYS  30           HB3      CYS  30   0.661   6.564   2.977
  209    H    GLY  31           H        GLY  31   4.550   5.525   4.028
  210    HA2  GLY  31           HA2      GLY  31   5.388   2.798   4.182
  211    HA3  GLY  31           HA3      GLY  31   5.941   4.102   5.234
  212    H    TYR  32           H        TYR  32   4.994   1.172   5.663
  213    HA   TYR  32           HA       TYR  32   2.942   1.669   7.785
  214    HB2  TYR  32           HB2      TYR  32   2.449   0.471   5.387
  215    HB3  TYR  32           HB3      TYR  32   2.962  -0.925   6.308
  216    HD1  TYR  32           HD1      TYR  32   1.226  -2.085   7.481
  217    HD2  TYR  32           HD2      TYR  32   0.739   2.102   6.534
  218    HE1  TYR  32           HE1      TYR  32  -1.123  -2.168   8.298
  219    HE2  TYR  32           HE2      TYR  32  -1.603   2.013   7.359
  220    HH   TYR  32           HH       TYR  32  -3.052  -0.983   8.681
  221    H    PHE  33           H        PHE  33   2.802  -0.348   9.311
  222    HA   PHE  33           HA       PHE  33   5.348  -0.674  10.581
  223    HB2  PHE  33           HB2      PHE  33   3.151  -0.875  11.715
  224    HB3  PHE  33           HB3      PHE  33   2.865  -2.380  10.831
  225    HD1  PHE  33           HD1      PHE  33   5.614  -0.863  12.951
  226    HD2  PHE  33           HD2      PHE  33   3.195  -4.332  12.085
  227    HE1  PHE  33           HE1      PHE  33   6.772  -2.123  14.749
  228    HE2  PHE  33           HE2      PHE  33   4.344  -5.579  13.900
  229    HZ   PHE  33           HZ       PHE  33   6.139  -4.480  15.227
  230    H    LEU  34           H        LEU  34   6.982  -1.945  10.116
  231    HA   LEU  34           HA       LEU  34   8.371  -3.369   9.155
  232    HB2  LEU  34           HB2      LEU  34   6.091  -5.351   9.094
  233    HB3  LEU  34           HB3      LEU  34   7.807  -5.729   9.032
  234    HG   LEU  34           HG       LEU  34   6.395  -4.451  11.413
  235   HD11  LEU  34          HD11      LEU  34   7.374  -7.285  10.940
  236   HD12  LEU  34          HD12      LEU  34   6.665  -6.652  12.450
  237   HD13  LEU  34          HD13      LEU  34   5.679  -6.741  10.977
  238   HD21  LEU  34          HD21      LEU  34   9.230  -5.531  11.130
  239   HD22  LEU  34          HD22      LEU  34   8.769  -3.828  11.371
  240   HD23  LEU  34          HD23      LEU  34   8.461  -5.009  12.647
  241    H    GLY  35           H        GLY  35   6.090  -2.069   7.265
  242    HA2  GLY  35           HA2      GLY  35   7.437  -2.788   4.748
  243    HA3  GLY  35           HA3      GLY  35   5.834  -3.490   4.930
  244    H    ILE  36           H        ILE  36   4.686  -2.414   3.432
  245    HA   ILE  36           HA       ILE  36   4.294   0.506   3.681
  246    HB   ILE  36           HB       ILE  36   6.059   0.554   2.178
  247   HG12  ILE  36          HG12      ILE  36   3.634   0.518   0.347
  248   HG13  ILE  36          HG13      ILE  36   3.936   1.778   1.518
  249   HG21  ILE  36          HG21      ILE  36   6.222  -1.850   1.546
  250   HG22  ILE  36          HG22      ILE  36   4.787  -1.648   0.516
  251   HG23  ILE  36          HG23      ILE  36   6.291  -0.802   0.134
  252   HD11  ILE  36          HD11      ILE  36   6.147   2.232   0.398
  253   HD12  ILE  36          HD12      ILE  36   5.629   1.095  -0.887
  254   HD13  ILE  36          HD13      ILE  36   4.715   2.580  -0.575
  255    H    CYS  37           H        CYS  37   2.406   1.272   2.959
  256    HA   CYS  37           HA       CYS  37   0.215  -0.632   2.284
  257    HB2  CYS  37           HB2      CYS  37  -0.047   0.739   4.273
  258    HB3  CYS  37           HB3      CYS  37   0.404   2.180   3.385
  259    H    CYS  38           H        CYS  38  -0.554  -0.586   0.222
  260    HA   CYS  38           HA       CYS  38   0.044   1.726  -1.595
  261    HB2  CYS  38           HB2      CYS  38  -0.069  -1.219  -2.283
  262    HB3  CYS  38           HB3      CYS  38   0.257   0.085  -3.407
  263    H    TYR  39           H        TYR  39  -1.784   2.539  -2.592
  264    HA   TYR  39           HA       TYR  39  -4.331   1.048  -2.228
  265    HB2  TYR  39           HB2      TYR  39  -5.419   3.150  -1.464
  266    HB3  TYR  39           HB3      TYR  39  -4.311   2.405  -0.351
  267    HD1  TYR  39           HD1      TYR  39  -2.528   3.589   0.622
  268    HD2  TYR  39           HD2      TYR  39  -4.678   5.258  -2.730
  269    HE1  TYR  39           HE1      TYR  39  -1.493   5.806   1.065
  270    HE2  TYR  39           HE2      TYR  39  -3.658   7.483  -2.266
  271    HH   TYR  39           HH       TYR  39  -1.325   8.000   0.404
  272    HA   PRO  40           HA       PRO  40  -6.748   1.829  -2.557
  273    HB2  PRO  40           HB2      PRO  40  -8.557   0.768  -4.278
  274    HB3  PRO  40           HB3      PRO  40  -8.323   2.529  -4.077
  275    HG2  PRO  40           HG2      PRO  40  -7.095   0.723  -6.196
  276    HG3  PRO  40           HG3      PRO  40  -7.994   2.257  -6.444
  277    HD2  PRO  40           HD2      PRO  40  -5.281   2.214  -6.358
  278    HD3  PRO  40           HD3      PRO  40  -6.203   3.551  -5.609
  279    H    VAL  41           H        VAL  41  -7.685  -0.189  -1.870
  280    HA   VAL  41           HA       VAL  41  -5.976  -2.426  -1.791
  281    HB   VAL  41           HB       VAL  41  -7.634  -1.719  -0.086
  282   HG11  VAL  41          HG11      VAL  41  -9.766  -2.995  -1.827
  283   HG12  VAL  41          HG12      VAL  41  -9.962  -2.315  -0.201
  284   HG13  VAL  41          HG13      VAL  41  -9.579  -1.249  -1.559
  285   HG21  VAL  41          HG21      VAL  41  -6.681  -3.925   0.105
  286   HG22  VAL  41          HG22      VAL  41  -8.365  -3.944   0.619
  287   HG23  VAL  41          HG23      VAL  41  -7.934  -4.607  -0.968
  288    H    ASP  42           H        ASP  42  -5.976  -4.426  -2.778
  289    HA   ASP  42           HA       ASP  42  -6.846  -4.563  -5.503
  290    HB2  ASP  42           HB2      ASP  42  -4.799  -5.622  -4.607
  291    HB3  ASP  42           HB3      ASP  42  -5.788  -6.768  -3.702
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -6.695 -12.923   4.704
    2    H2   GLY   1           H2       GLY   1  -7.535 -13.114   3.309
    3    H3   GLY   1           H3       GLY   1  -7.824 -11.819   4.271
    4    HA2  GLY   1           HA2      GLY   1  -5.318 -12.355   2.806
    5    HA3  GLY   1           HA3      GLY   1  -6.530 -11.141   2.361
    6    H    THR   2           H        THR   2  -5.288  -9.300   2.612
    7    HA   THR   2           HA       THR   2  -4.760  -8.423   5.366
    8    HB   THR   2           HB       THR   2  -2.638  -9.527   4.617
    9    HG1  THR   2           HG1      THR   2  -2.388  -8.052   6.148
   10   HG21  THR   2          HG21      THR   2  -2.400  -7.189   2.679
   11   HG22  THR   2          HG22      THR   2  -1.164  -8.403   3.050
   12   HG23  THR   2          HG23      THR   2  -2.649  -8.887   2.214
   13    H    THR   3           H        THR   3  -4.341  -6.092   5.508
   14    HA   THR   3           HA       THR   3  -5.232  -4.392   3.270
   15    HB   THR   3           HB       THR   3  -6.801  -3.556   5.451
   16    HG1  THR   3           HG1      THR   3  -8.083  -5.315   5.936
   17   HG21  THR   3          HG21      THR   3  -7.450  -3.366   3.115
   18   HG22  THR   3          HG22      THR   3  -7.588  -5.134   2.970
   19   HG23  THR   3          HG23      THR   3  -8.714  -4.229   4.005
   20    H    CYS   4           H        CYS   4  -5.074  -2.119   3.735
   21    HA   CYS   4           HA       CYS   4  -3.629  -1.314   6.188
   22    HB2  CYS   4           HB2      CYS   4  -1.862  -0.274   5.053
   23    HB3  CYS   4           HB3      CYS   4  -1.986  -1.879   4.365
   24    H    TYR   5           H        TYR   5  -3.597   1.110   6.447
   25    HA   TYR   5           HA       TYR   5  -5.752   2.529   4.960
   26    HB2  TYR   5           HB2      TYR   5  -5.591   2.294   7.987
   27    HB3  TYR   5           HB3      TYR   5  -6.602   3.436   7.128
   28    HD1  TYR   5           HD1      TYR   5  -6.115  -0.158   7.923
   29    HD2  TYR   5           HD2      TYR   5  -8.695   2.791   6.113
   30    HE1  TYR   5           HE1      TYR   5  -7.988  -1.807   7.895
   31    HE2  TYR   5           HE2      TYR   5 -10.569   1.155   6.119
   32    HH   TYR   5           HH       TYR   5 -11.250  -0.964   6.676
   33    H    CYS   6           H        CYS   6  -5.249   4.573   4.457
   34    HA   CYS   6           HA       CYS   6  -3.607   6.166   6.345
   35    HB2  CYS   6           HB2      CYS   6  -2.659   5.321   3.652
   36    HB3  CYS   6           HB3      CYS   6  -2.457   7.028   4.013
   37    H    GLY   7           H        GLY   7  -4.441   8.174   6.613
   38    HA2  GLY   7           HA2      GLY   7  -5.783  10.024   6.324
   39    HA3  GLY   7           HA3      GLY   7  -5.401   9.895   4.604
   40    H    LYS   8           H        LYS   8  -7.220   7.521   6.503
   41    HA   LYS   8           HA       LYS   8  -9.155   6.437   6.172
   42    HB2  LYS   8           HB2      LYS   8  -9.942   8.805   6.844
   43    HB3  LYS   8           HB3      LYS   8 -10.492   8.946   5.171
   44    HG2  LYS   8           HG2      LYS   8 -11.951   6.951   5.498
   45    HG3  LYS   8           HG3      LYS   8 -11.307   6.743   7.135
   46    HD2  LYS   8           HD2      LYS   8 -12.252   8.926   7.796
   47    HD3  LYS   8           HD3      LYS   8 -12.854   9.179   6.141
   48    HE2  LYS   8           HE2      LYS   8 -14.251   7.140   6.334
   49    HE3  LYS   8           HE3      LYS   8 -13.645   6.866   7.971
   50    HZ1  LYS   8           HZ1      LYS   8 -15.218   9.240   7.117
   51    HZ2  LYS   8           HZ2      LYS   8 -15.797   7.993   7.994
   52    HZ3  LYS   8           HZ3      LYS   8 -14.664   8.978   8.633
   53    H    THR   9           H        THR   9  -7.258   6.796   3.850
   54    HA   THR   9           HA       THR   9  -8.978   5.635   1.708
   55    HB   THR   9           HB       THR   9  -6.123   6.670   1.491
   56    HG1  THR   9           HG1      THR   9  -7.085   8.314   0.316
   57   HG21  THR   9          HG21      THR   9  -6.520   6.403  -0.945
   58   HG22  THR   9          HG22      THR   9  -6.580   4.851  -0.104
   59   HG23  THR   9          HG23      THR   9  -8.091   5.642  -0.606
   60    H    ILE  10           H        ILE  10  -9.152   3.565   2.046
   61    HA   ILE  10           HA       ILE  10  -7.190   1.923   3.422
   62    HB   ILE  10           HB       ILE  10  -9.618   1.599   3.620
   63   HG12  ILE  10          HG12      ILE  10  -8.198  -0.811   2.409
   64   HG13  ILE  10          HG13      ILE  10  -8.181  -0.297   4.101
   65   HG21  ILE  10          HG21      ILE  10  -9.564   0.670   0.732
   66   HG22  ILE  10          HG22      ILE  10 -10.984   0.789   1.802
   67   HG23  ILE  10          HG23      ILE  10 -10.162   2.253   1.271
   68   HD11  ILE  10          HD11      ILE  10  -9.733  -2.093   3.947
   69   HD12  ILE  10          HD12      ILE  10 -10.705  -0.623   4.125
   70   HD13  ILE  10          HD13      ILE  10 -10.536  -1.398   2.532
   71    H    GLY  11           H        GLY  11  -5.903   0.301   2.549
   72    HA2  GLY  11           HA2      GLY  11  -5.652   0.021  -0.399
   73    HA3  GLY  11           HA3      GLY  11  -4.249   0.500   0.543
   74    H    ILE  12           H        ILE  12  -3.545  -1.431  -0.587
   75    HA   ILE  12           HA       ILE  12  -3.965  -3.931   0.939
   76    HB   ILE  12           HB       ILE  12  -3.641  -3.355  -1.846
   77   HG12  ILE  12          HG12      ILE  12  -5.136  -4.983  -0.937
   78   HG13  ILE  12          HG13      ILE  12  -4.091  -5.662  -2.179
   79   HG21  ILE  12          HG21      ILE  12  -1.220  -4.855  -0.825
   80   HG22  ILE  12          HG22      ILE  12  -1.825  -4.892  -2.475
   81   HG23  ILE  12          HG23      ILE  12  -1.312  -3.339  -1.770
   82   HD11  ILE  12          HD11      ILE  12  -2.691  -6.794  -0.513
   83   HD12  ILE  12          HD12      ILE  12  -3.655  -6.099   0.805
   84   HD13  ILE  12          HD13      ILE  12  -4.392  -7.252  -0.319
   85    H    TYR  13           H        TYR  13  -2.260  -4.868   2.011
   86    HA   TYR  13           HA       TYR  13   0.049  -3.091   2.617
   87    HB2  TYR  13           HB2      TYR  13  -1.125  -3.880   4.555
   88    HB3  TYR  13           HB3      TYR  13  -1.088  -5.537   3.977
   89    HD1  TYR  13           HD1      TYR  13   1.372  -2.743   4.664
   90    HD2  TYR  13           HD2      TYR  13   0.463  -6.953   4.957
   91    HE1  TYR  13           HE1      TYR  13   3.569  -3.142   5.773
   92    HE2  TYR  13           HE2      TYR  13   2.652  -7.348   6.067
   93    HH   TYR  13           HH       TYR  13   4.567  -6.425   6.832
   94    H    TRP  14           H        TRP  14   2.000  -3.417   1.840
   95    HA   TRP  14           HA       TRP  14   2.791  -6.081   0.722
   96    HB2  TRP  14           HB2      TRP  14   3.575  -3.266  -0.064
   97    HB3  TRP  14           HB3      TRP  14   4.514  -4.674  -0.522
   98    HD1  TRP  14           HD1      TRP  14   1.293  -2.905  -1.359
   99    HE1  TRP  14           HE1      TRP  14   0.206  -4.002  -3.440
  100    HE3  TRP  14           HE3      TRP  14   4.377  -6.961  -1.844
  101    HZ2  TRP  14           HZ2      TRP  14   0.577  -6.374  -5.010
  102    HZ3  TRP  14           HZ3      TRP  14   3.983  -8.634  -3.641
  103    HH2  TRP  14           HH2      TRP  14   2.087  -8.361  -5.218
  104    H    PHE  15           H        PHE  15   4.278  -7.159   1.770
  105    HA   PHE  15           HA       PHE  15   5.935  -5.866   3.877
  106    HB2  PHE  15           HB2      PHE  15   4.620  -7.750   4.622
  107    HB3  PHE  15           HB3      PHE  15   5.191  -8.745   3.293
  108    HD1  PHE  15           HD1      PHE  15   6.812 -10.346   3.812
  109    HD2  PHE  15           HD2      PHE  15   6.714  -6.685   6.093
  110    HE1  PHE  15           HE1      PHE  15   8.696 -11.157   5.211
  111    HE2  PHE  15           HE2      PHE  15   8.583  -7.501   7.492
  112    HZ   PHE  15           HZ       PHE  15   9.584  -9.741   7.054
  113    H    GLY  16           H        GLY  16   8.157  -6.035   3.918
  114    HA2  GLY  16           HA2      GLY  16  10.315  -6.512   3.254
  115    HA3  GLY  16           HA3      GLY  16   9.675  -7.747   2.166
  116    H    THR  17           H        THR  17   8.562  -4.464   1.778
  117    HA   THR  17           HA       THR  17  10.536  -3.741  -0.261
  118    HB   THR  17           HB       THR  17   8.693  -4.924  -1.504
  119    HG1  THR  17           HG1      THR  17   8.464  -3.171  -2.966
  120   HG21  THR  17          HG21      THR  17   6.558  -4.021  -1.793
  121   HG22  THR  17          HG22      THR  17   6.788  -4.126  -0.037
  122   HG23  THR  17          HG23      THR  17   6.946  -2.563  -0.875
  123    H    LYS  18           H        LYS  18  10.270  -1.520  -0.883
  124    HA   LYS  18           HA       LYS  18   9.037   0.292   1.182
  125    HB2  LYS  18           HB2      LYS  18  11.740   0.584  -0.193
  126    HB3  LYS  18           HB3      LYS  18  10.956   1.824   0.793
  127    HG2  LYS  18           HG2      LYS  18  10.866   0.154   2.700
  128    HG3  LYS  18           HG3      LYS  18  11.868  -0.929   1.729
  129    HD2  LYS  18           HD2      LYS  18  12.641   1.878   2.650
  130    HD3  LYS  18           HD3      LYS  18  13.174   0.363   3.391
  131    HE2  LYS  18           HE2      LYS  18  14.270  -0.296   1.251
  132    HE3  LYS  18           HE3      LYS  18  13.771   1.240   0.528
  133    HZ1  LYS  18           HZ1      LYS  18  15.572   0.972   2.878
  134    HZ2  LYS  18           HZ2      LYS  18  16.045   1.359   1.366
  135    HZ3  LYS  18           HZ3      LYS  18  15.107   2.391   2.213
  136    H    THR  19           H        THR  19   8.865  -0.621  -1.933
  137    HA   THR  19           HA       THR  19   7.479   1.889  -2.740
  138    HB   THR  19           HB       THR  19   9.750   1.697  -3.853
  139    HG1  THR  19           HG1      THR  19   8.390   3.011  -4.839
  140   HG21  THR  19          HG21      THR  19   9.979   0.225  -5.772
  141   HG22  THR  19          HG22      THR  19   9.707  -0.762  -4.324
  142   HG23  THR  19          HG23      THR  19   8.384  -0.496  -5.482
  143    H    CYS  20           H        CYS  20   5.882   1.552  -4.478
  144    HA   CYS  20           HA       CYS  20   4.439  -1.003  -4.056
  145    HB2  CYS  20           HB2      CYS  20   3.517   1.650  -5.190
  146    HB3  CYS  20           HB3      CYS  20   2.501   0.218  -5.010
  147    HA   PRO  21           HA       PRO  21   5.674  -2.329  -8.134
  148    HB2  PRO  21           HB2      PRO  21   3.819  -4.323  -8.592
  149    HB3  PRO  21           HB3      PRO  21   5.236  -4.476  -7.508
  150    HG2  PRO  21           HG2      PRO  21   2.381  -3.843  -6.788
  151    HG3  PRO  21           HG3      PRO  21   3.496  -4.962  -5.950
  152    HD2  PRO  21           HD2      PRO  21   3.058  -2.473  -5.010
  153    HD3  PRO  21           HD3      PRO  21   4.670  -3.245  -4.908
  154    H    SER  22           H        SER  22   5.390  -0.828  -9.623
  155    HA   SER  22           HA       SER  22   3.184   0.808  -9.992
  156    HB2  SER  22           HB2      SER  22   5.543   1.248 -10.667
  157    HB3  SER  22           HB3      SER  22   5.332   0.157 -12.050
  158    HG   SER  22           HG       SER  22   4.993   2.384 -12.581
  159    H    ASN  23           H        ASN  23   3.878  -2.191 -11.742
  160    HA   ASN  23           HA       ASN  23   1.955  -1.880 -13.840
  161    HB2  ASN  23           HB2      ASN  23   3.219  -4.380 -12.627
  162    HB3  ASN  23           HB3      ASN  23   2.306  -4.345 -14.129
  163   HD21  ASN  23          HD21      ASN  23   5.447  -4.119 -12.868
  164   HD22  ASN  23          HD22      ASN  23   6.187  -3.397 -14.287
  165    H    ARG  24           H        ARG  24   1.336  -2.417 -10.513
  166    HA   ARG  24           HA       ARG  24  -1.111  -3.999 -10.940
  167    HB2  ARG  24           HB2      ARG  24   0.655  -4.297  -9.127
  168    HB3  ARG  24           HB3      ARG  24  -0.081  -2.922  -8.311
  169    HG2  ARG  24           HG2      ARG  24  -2.055  -4.107  -7.827
  170    HG3  ARG  24           HG3      ARG  24  -1.893  -5.166  -9.244
  171    HD2  ARG  24           HD2      ARG  24   0.043  -6.272  -8.218
  172    HD3  ARG  24           HD3      ARG  24  -0.170  -5.291  -6.754
  173    HE   ARG  24           HE       ARG  24  -2.637  -6.413  -6.970
  174   HH11  ARG  24          HH11      ARG  24   0.441  -8.096  -7.252
  175   HH12  ARG  24          HH12      ARG  24  -0.273  -9.593  -6.710
  176   HH21  ARG  24          HH21      ARG  24  -3.423  -8.204  -6.377
  177   HH22  ARG  24          HH22      ARG  24  -2.459  -9.675  -6.194
  178    H    GLY  25           H        GLY  25  -0.436  -0.726 -11.043
  179    HA2  GLY  25           HA2      GLY  25  -1.929   0.920 -11.698
  180    HA3  GLY  25           HA3      GLY  25  -3.285  -0.146 -11.334
  181    H    TYR  26           H        TYR  26  -0.886   0.552  -8.839
  182    HA   TYR  26           HA       TYR  26  -2.856   1.690  -7.077
  183    HB2  TYR  26           HB2      TYR  26   0.177   1.597  -6.902
  184    HB3  TYR  26           HB3      TYR  26  -0.882   2.124  -5.595
  185    HD1  TYR  26           HD1      TYR  26   1.023  -0.594  -6.621
  186    HD2  TYR  26           HD2      TYR  26  -2.962   0.322  -5.207
  187    HE1  TYR  26           HE1      TYR  26   0.743  -2.922  -5.806
  188    HE2  TYR  26           HE2      TYR  26  -3.234  -2.024  -4.457
  189    HH   TYR  26           HH       TYR  26  -2.306  -4.129  -4.455
  190    H    THR  27           H        THR  27  -3.206   3.773  -6.383
  191    HA   THR  27           HA       THR  27  -2.232   5.961  -8.170
  192    HB   THR  27           HB       THR  27  -4.177   7.218  -7.387
  193    HG1  THR  27           HG1      THR  27  -5.703   6.205  -6.108
  194   HG21  THR  27          HG21      THR  27  -4.408   5.739  -9.383
  195   HG22  THR  27          HG22      THR  27  -5.004   4.436  -8.331
  196   HG23  THR  27          HG23      THR  27  -5.928   5.945  -8.496
  197    H    GLY  28           H        GLY  28  -1.844   4.789  -4.952
  198    HA2  GLY  28           HA2      GLY  28   0.114   6.808  -4.364
  199    HA3  GLY  28           HA3      GLY  28  -1.354   7.095  -3.435
  200    H    SER  29           H        SER  29   0.740   6.717  -1.947
  201    HA   SER  29           HA       SER  29   0.496   4.060  -0.716
  202    HB2  SER  29           HB2      SER  29   2.871   3.544  -0.953
  203    HB3  SER  29           HB3      SER  29   2.085   3.712  -2.530
  204    HG   SER  29           HG       SER  29   3.796   5.613  -1.264
  205    H    CYS  30           H        CYS  30   1.692   3.809   1.274
  206    HA   CYS  30           HA       CYS  30   3.134   6.079   2.370
  207    HB2  CYS  30           HB2      CYS  30   1.767   6.426   4.334
  208    HB3  CYS  30           HB3      CYS  30   0.742   6.630   2.910
  209    H    GLY  31           H        GLY  31   4.552   5.529   4.076
  210    HA2  GLY  31           HA2      GLY  31   5.372   2.793   4.239
  211    HA3  GLY  31           HA3      GLY  31   5.899   4.091   5.311
  212    H    TYR  32           H        TYR  32   4.904   1.158   5.704
  213    HA   TYR  32           HA       TYR  32   2.808   1.697   7.773
  214    HB2  TYR  32           HB2      TYR  32   2.198   0.652   5.404
  215    HB3  TYR  32           HB3      TYR  32   2.810  -0.823   6.125
  216    HD1  TYR  32           HD1      TYR  32   1.186  -2.166   7.274
  217    HD2  TYR  32           HD2      TYR  32   0.525   2.083   6.853
  218    HE1  TYR  32           HE1      TYR  32  -1.086  -2.410   8.270
  219    HE2  TYR  32           HE2      TYR  32  -1.714   1.841   7.899
  220    HH   TYR  32           HH       TYR  32  -3.218   0.405   8.884
  221    H    PHE  33           H        PHE  33   2.527  -0.397   9.206
  222    HA   PHE  33           HA       PHE  33   4.966  -0.789  10.639
  223    HB2  PHE  33           HB2      PHE  33   2.702  -1.045  11.598
  224    HB3  PHE  33           HB3      PHE  33   2.464  -2.486  10.600
  225    HD1  PHE  33           HD1      PHE  33   5.051  -1.161  13.030
  226    HD2  PHE  33           HD2      PHE  33   2.674  -4.522  11.730
  227    HE1  PHE  33           HE1      PHE  33   6.036  -2.559  14.829
  228    HE2  PHE  33           HE2      PHE  33   3.648  -5.908  13.545
  229    HZ   PHE  33           HZ       PHE  33   5.337  -4.932  15.092
  230    H    LEU  34           H        LEU  34   6.642  -2.018  10.232
  231    HA   LEU  34           HA       LEU  34   8.109  -3.396   9.335
  232    HB2  LEU  34           HB2      LEU  34   5.867  -5.402   9.065
  233    HB3  LEU  34           HB3      LEU  34   7.588  -5.759   9.108
  234    HG   LEU  34           HG       LEU  34   5.990  -4.575  11.415
  235   HD11  LEU  34          HD11      LEU  34   5.374  -6.872  10.873
  236   HD12  LEU  34          HD12      LEU  34   7.082  -7.368  10.942
  237   HD13  LEU  34          HD13      LEU  34   6.251  -6.796  12.414
  238   HD21  LEU  34          HD21      LEU  34   8.340  -3.886  11.563
  239   HD22  LEU  34          HD22      LEU  34   7.980  -5.115  12.778
  240   HD23  LEU  34          HD23      LEU  34   8.869  -5.567  11.304
  241    H    GLY  35           H        GLY  35   5.929  -2.111   7.297
  242    HA2  GLY  35           HA2      GLY  35   7.487  -2.714   4.876
  243    HA3  GLY  35           HA3      GLY  35   5.909  -3.495   4.920
  244    H    ILE  36           H        ILE  36   4.784  -2.425   3.404
  245    HA   ILE  36           HA       ILE  36   4.299   0.493   3.715
  246    HB   ILE  36           HB       ILE  36   6.058   0.572   2.215
  247   HG12  ILE  36          HG12      ILE  36   3.642   0.533   0.367
  248   HG13  ILE  36          HG13      ILE  36   3.963   1.806   1.523
  249   HG21  ILE  36          HG21      ILE  36   6.385  -0.745   0.238
  250   HG22  ILE  36          HG22      ILE  36   6.144  -1.868   1.567
  251   HG23  ILE  36          HG23      ILE  36   4.814  -1.550   0.436
  252   HD11  ILE  36          HD11      ILE  36   4.760   2.570  -0.587
  253   HD12  ILE  36          HD12      ILE  36   6.187   2.204   0.389
  254   HD13  ILE  36          HD13      ILE  36   5.643   1.066  -0.884
  255    H    CYS  37           H        CYS  37   2.439   1.282   2.944
  256    HA   CYS  37           HA       CYS  37   0.246  -0.615   2.272
  257    HB2  CYS  37           HB2      CYS  37  -0.016   0.781   4.266
  258    HB3  CYS  37           HB3      CYS  37   0.430   2.212   3.360
  259    H    CYS  38           H        CYS  38  -0.562  -0.556   0.234
  260    HA   CYS  38           HA       CYS  38   0.059   1.727  -1.611
  261    HB2  CYS  38           HB2      CYS  38  -0.083  -1.227  -2.245
  262    HB3  CYS  38           HB3      CYS  38   0.228   0.053  -3.406
  263    H    TYR  39           H        TYR  39  -1.752   2.536  -2.639
  264    HA   TYR  39           HA       TYR  39  -4.318   1.077  -2.283
  265    HB2  TYR  39           HB2      TYR  39  -5.393   3.229  -1.600
  266    HB3  TYR  39           HB3      TYR  39  -4.354   2.452  -0.441
  267    HD1  TYR  39           HD1      TYR  39  -2.515   3.553   0.551
  268    HD2  TYR  39           HD2      TYR  39  -4.586   5.328  -2.795
  269    HE1  TYR  39           HE1      TYR  39  -1.452   5.751   1.057
  270    HE2  TYR  39           HE2      TYR  39  -3.545   7.526  -2.270
  271    HH   TYR  39           HH       TYR  39  -2.138   8.687  -0.879
  272    HA   PRO  40           HA       PRO  40  -6.733   1.891  -2.668
  273    HB2  PRO  40           HB2      PRO  40  -8.508   0.782  -4.399
  274    HB3  PRO  40           HB3      PRO  40  -8.273   2.549  -4.244
  275    HG2  PRO  40           HG2      PRO  40  -7.000   0.678  -6.279
  276    HG3  PRO  40           HG3      PRO  40  -7.893   2.204  -6.595
  277    HD2  PRO  40           HD2      PRO  40  -5.186   2.171  -6.448
  278    HD3  PRO  40           HD3      PRO  40  -6.123   3.522  -5.748
  279    H    VAL  41           H        VAL  41  -7.703  -0.114  -1.950
  280    HA   VAL  41           HA       VAL  41  -5.988  -2.351  -1.782
  281    HB   VAL  41           HB       VAL  41  -7.667  -1.621  -0.112
  282   HG11  VAL  41          HG11      VAL  41  -9.592  -1.165  -1.615
  283   HG12  VAL  41          HG12      VAL  41  -9.779  -2.914  -1.870
  284   HG13  VAL  41          HG13      VAL  41  -9.996  -2.216  -0.254
  285   HG21  VAL  41          HG21      VAL  41  -6.720  -3.832   0.112
  286   HG22  VAL  41          HG22      VAL  41  -8.407  -3.834   0.616
  287   HG23  VAL  41          HG23      VAL  41  -7.969  -4.521  -0.960
  288    H    ASP  42           H        ASP  42  -5.974  -4.359  -2.720
  289    HA   ASP  42           HA       ASP  42  -7.526  -4.735  -5.249
  290    HB2  ASP  42           HB2      ASP  42  -5.286  -3.904  -5.713
  291    HB3  ASP  42           HB3      ASP  42  -4.572  -5.171  -4.722
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -6.434 -12.118   2.857
    2    H2   GLY   1           H2       GLY   1  -6.125 -12.190   1.249
    3    H3   GLY   1           H3       GLY   1  -6.903 -10.893   1.879
    4    HA2  GLY   1           HA2      GLY   1  -4.105 -11.656   2.425
    5    HA3  GLY   1           HA3      GLY   1  -4.622 -10.311   1.391
    6    H    THR   2           H        THR   2  -3.377  -8.896   2.759
    7    HA   THR   2           HA       THR   2  -4.624  -8.258   5.420
    8    HB   THR   2           HB       THR   2  -1.738  -7.863   4.563
    9    HG1  THR   2           HG1      THR   2  -2.224 -10.017   4.995
   10   HG21  THR   2          HG21      THR   2  -1.378  -7.362   6.980
   11   HG22  THR   2          HG22      THR   2  -2.395  -6.150   6.198
   12   HG23  THR   2          HG23      THR   2  -3.138  -7.389   7.236
   13    H    THR   3           H        THR   3  -5.641  -6.354   5.516
   14    HA   THR   3           HA       THR   3  -5.416  -4.381   3.376
   15    HB   THR   3           HB       THR   3  -7.008  -3.228   5.316
   16    HG1  THR   3           HG1      THR   3  -7.915  -5.864   5.286
   17   HG21  THR   3          HG21      THR   3  -7.726  -5.114   3.053
   18   HG22  THR   3          HG22      THR   3  -8.904  -4.116   3.942
   19   HG23  THR   3          HG23      THR   3  -7.598  -3.338   3.028
   20    H    CYS   4           H        CYS   4  -5.134  -2.163   3.741
   21    HA   CYS   4           HA       CYS   4  -3.683  -1.357   6.174
   22    HB2  CYS   4           HB2      CYS   4  -1.898  -0.345   5.038
   23    HB3  CYS   4           HB3      CYS   4  -2.047  -1.935   4.326
   24    H    TYR   5           H        TYR   5  -3.672   1.046   6.519
   25    HA   TYR   5           HA       TYR   5  -5.809   2.496   5.010
   26    HB2  TYR   5           HB2      TYR   5  -5.591   2.296   8.035
   27    HB3  TYR   5           HB3      TYR   5  -6.648   3.395   7.166
   28    HD1  TYR   5           HD1      TYR   5  -6.037  -0.172   8.013
   29    HD2  TYR   5           HD2      TYR   5  -8.741   2.670   6.213
   30    HE1  TYR   5           HE1      TYR   5  -7.844  -1.885   8.027
   31    HE2  TYR   5           HE2      TYR   5 -10.559   0.964   6.265
   32    HH   TYR   5           HH       TYR   5 -10.039  -2.342   7.554
   33    H    CYS   6           H        CYS   6  -5.272   4.513   4.439
   34    HA   CYS   6           HA       CYS   6  -3.613   6.148   6.276
   35    HB2  CYS   6           HB2      CYS   6  -2.665   5.147   3.639
   36    HB3  CYS   6           HB3      CYS   6  -2.438   6.868   3.895
   37    H    GLY   7           H        GLY   7  -4.327   8.218   6.410
   38    HA2  GLY   7           HA2      GLY   7  -5.535  10.131   5.984
   39    HA3  GLY   7           HA3      GLY   7  -5.110   9.868   4.291
   40    H    LYS   8           H        LYS   8  -7.212   7.842   6.321
   41    HA   LYS   8           HA       LYS   8  -9.250   6.914   6.003
   42    HB2  LYS   8           HB2      LYS   8 -10.054   9.601   4.854
   43    HB3  LYS   8           HB3      LYS   8 -11.151   8.314   5.353
   44    HG2  LYS   8           HG2      LYS   8 -10.287   8.450   7.675
   45    HG3  LYS   8           HG3      LYS   8  -9.236   9.799   7.196
   46    HD2  LYS   8           HD2      LYS   8 -11.217  11.145   6.570
   47    HD3  LYS   8           HD3      LYS   8 -12.275   9.778   6.932
   48    HE2  LYS   8           HE2      LYS   8 -12.411  11.274   8.781
   49    HE3  LYS   8           HE3      LYS   8 -11.541   9.833   9.312
   50    HZ1  LYS   8           HZ1      LYS   8 -10.265  12.409   8.539
   51    HZ2  LYS   8           HZ2      LYS   8 -10.471  11.888  10.070
   52    HZ3  LYS   8           HZ3      LYS   8  -9.460  11.087   9.074
   53    H    THR   9           H        THR   9  -7.244   6.748   3.814
   54    HA   THR   9           HA       THR   9  -9.006   5.594   1.699
   55    HB   THR   9           HB       THR   9  -6.117   6.507   1.389
   56    HG1  THR   9           HG1      THR   9  -7.023   8.169   0.194
   57   HG21  THR   9          HG21      THR   9  -6.623   6.198  -1.032
   58   HG22  THR   9          HG22      THR   9  -6.723   4.675  -0.141
   59   HG23  THR   9          HG23      THR   9  -8.212   5.524  -0.612
   60    H    ILE  10           H        ILE  10  -9.202   3.528   2.047
   61    HA   ILE  10           HA       ILE  10  -7.246   1.879   3.437
   62    HB   ILE  10           HB       ILE  10  -9.672   1.605   3.693
   63   HG12  ILE  10          HG12      ILE  10  -8.347  -0.866   2.495
   64   HG13  ILE  10          HG13      ILE  10  -8.247  -0.314   4.173
   65   HG21  ILE  10          HG21      ILE  10 -10.253   2.216   1.341
   66   HG22  ILE  10          HG22      ILE  10  -9.688   0.613   0.824
   67   HG23  ILE  10          HG23      ILE  10 -11.087   0.775   1.916
   68   HD11  ILE  10          HD11      ILE  10 -10.682  -1.397   2.721
   69   HD12  ILE  10          HD12      ILE  10  -9.866  -2.048   4.150
   70   HD13  ILE  10          HD13      ILE  10 -10.793  -0.547   4.281
   71    H    GLY  11           H        GLY  11  -6.010   0.202   2.561
   72    HA2  GLY  11           HA2      GLY  11  -5.828  -0.144  -0.384
   73    HA3  GLY  11           HA3      GLY  11  -4.403   0.384   0.506
   74    H    ILE  12           H        ILE  12  -3.623  -1.528  -0.534
   75    HA   ILE  12           HA       ILE  12  -4.023  -4.042   0.986
   76    HB   ILE  12           HB       ILE  12  -3.711  -3.447  -1.798
   77   HG12  ILE  12          HG12      ILE  12  -5.190  -5.100  -0.978
   78   HG13  ILE  12          HG13      ILE  12  -4.082  -5.771  -2.166
   79   HG21  ILE  12          HG21      ILE  12  -1.383  -3.403  -1.718
   80   HG22  ILE  12          HG22      ILE  12  -1.280  -4.940  -0.804
   81   HG23  ILE  12          HG23      ILE  12  -1.874  -4.947  -2.453
   82   HD11  ILE  12          HD11      ILE  12  -3.985  -6.253   0.820
   83   HD12  ILE  12          HD12      ILE  12  -4.388  -7.412  -0.445
   84   HD13  ILE  12          HD13      ILE  12  -2.729  -6.801  -0.316
   85    H    TYR  13           H        TYR  13  -2.312  -4.962   2.054
   86    HA   TYR  13           HA       TYR  13   0.017  -3.179   2.612
   87    HB2  TYR  13           HB2      TYR  13  -1.167  -3.963   4.557
   88    HB3  TYR  13           HB3      TYR  13  -1.081  -5.624   3.999
   89    HD1  TYR  13           HD1      TYR  13   1.303  -2.774   4.720
   90    HD2  TYR  13           HD2      TYR  13   0.486  -7.007   4.989
   91    HE1  TYR  13           HE1      TYR  13   3.443  -3.120   5.953
   92    HE2  TYR  13           HE2      TYR  13   2.602  -7.339   6.238
   93    HH   TYR  13           HH       TYR  13   4.442  -6.364   7.121
   94    H    TRP  14           H        TRP  14   1.960  -3.513   1.814
   95    HA   TRP  14           HA       TRP  14   2.706  -6.171   0.635
   96    HB2  TRP  14           HB2      TRP  14   3.492  -3.352  -0.131
   97    HB3  TRP  14           HB3      TRP  14   4.414  -4.756  -0.631
   98    HD1  TRP  14           HD1      TRP  14   1.185  -2.959  -1.340
   99    HE1  TRP  14           HE1      TRP  14   0.114  -3.908  -3.491
  100    HE3  TRP  14           HE3      TRP  14   4.276  -6.975  -2.108
  101    HZ2  TRP  14           HZ2      TRP  14   0.535  -6.093  -5.285
  102    HZ3  TRP  14           HZ3      TRP  14   3.913  -8.479  -4.054
  103    HH2  TRP  14           HH2      TRP  14   2.048  -8.057  -5.641
  104    H    PHE  15           H        PHE  15   4.102  -7.278   1.803
  105    HA   PHE  15           HA       PHE  15   5.889  -5.913   3.753
  106    HB2  PHE  15           HB2      PHE  15   4.477  -7.652   4.676
  107    HB3  PHE  15           HB3      PHE  15   5.019  -8.800   3.462
  108    HD1  PHE  15           HD1      PHE  15   6.608 -10.373   4.156
  109    HD2  PHE  15           HD2      PHE  15   6.581  -6.486   6.035
  110    HE1  PHE  15           HE1      PHE  15   8.469 -11.071   5.641
  111    HE2  PHE  15           HE2      PHE  15   8.437  -7.194   7.518
  112    HZ   PHE  15           HZ       PHE  15   9.388  -9.484   7.323
  113    H    GLY  16           H        GLY  16   8.096  -6.256   3.787
  114    HA2  GLY  16           HA2      GLY  16  10.205  -6.885   3.084
  115    HA3  GLY  16           HA3      GLY  16   9.472  -8.085   2.018
  116    H    THR  17           H        THR  17   8.514  -4.741   1.648
  117    HA   THR  17           HA       THR  17  10.479  -4.157  -0.445
  118    HB   THR  17           HB       THR  17   8.512  -5.211  -1.610
  119    HG1  THR  17           HG1      THR  17   8.390  -3.450  -3.092
  120   HG21  THR  17          HG21      THR  17   7.008  -2.689  -0.918
  121   HG22  THR  17          HG22      THR  17   6.456  -4.069  -1.875
  122   HG23  THR  17          HG23      THR  17   6.710  -4.255  -0.128
  123    H    LYS  18           H        LYS  18  10.388  -1.955  -1.065
  124    HA   LYS  18           HA       LYS  18   9.738  -0.067   1.185
  125    HB2  LYS  18           HB2      LYS  18  11.572   1.289   0.308
  126    HB3  LYS  18           HB3      LYS  18  12.111  -0.347   0.717
  127    HG2  LYS  18           HG2      LYS  18  12.059  -0.945  -1.713
  128    HG3  LYS  18           HG3      LYS  18  11.567   0.716  -2.095
  129    HD2  LYS  18           HD2      LYS  18  13.672   1.571  -1.115
  130    HD3  LYS  18           HD3      LYS  18  14.156  -0.088  -0.697
  131    HE2  LYS  18           HE2      LYS  18  14.070  -0.712  -3.106
  132    HE3  LYS  18           HE3      LYS  18  13.609   0.947  -3.518
  133    HZ1  LYS  18           HZ1      LYS  18  15.750   1.691  -2.613
  134    HZ2  LYS  18           HZ2      LYS  18  16.173   0.159  -2.231
  135    HZ3  LYS  18           HZ3      LYS  18  15.997   0.593  -3.793
  136    H    THR  19           H        THR  19   9.086  -0.713  -2.074
  137    HA   THR  19           HA       THR  19   7.446   1.770  -2.363
  138    HB   THR  19           HB       THR  19   9.632   1.905  -3.619
  139    HG1  THR  19           HG1      THR  19   8.592   2.797  -5.386
  140   HG21  THR  19          HG21      THR  19   9.702  -0.454  -4.466
  141   HG22  THR  19          HG22      THR  19   8.283  -0.109  -5.482
  142   HG23  THR  19          HG23      THR  19   9.816   0.750  -5.761
  143    H    CYS  20           H        CYS  20   5.798   1.606  -4.097
  144    HA   CYS  20           HA       CYS  20   4.436  -1.002  -3.931
  145    HB2  CYS  20           HB2      CYS  20   3.520   1.680  -5.015
  146    HB3  CYS  20           HB3      CYS  20   2.518   0.230  -4.922
  147    HA   PRO  21           HA       PRO  21   5.712  -2.169  -8.050
  148    HB2  PRO  21           HB2      PRO  21   3.791  -4.046  -8.652
  149    HB3  PRO  21           HB3      PRO  21   5.144  -4.326  -7.516
  150    HG2  PRO  21           HG2      PRO  21   2.298  -3.541  -6.862
  151    HG3  PRO  21           HG3      PRO  21   3.295  -4.794  -6.070
  152    HD2  PRO  21           HD2      PRO  21   3.001  -2.336  -4.996
  153    HD3  PRO  21           HD3      PRO  21   4.553  -3.218  -4.893
  154    H    SER  22           H        SER  22   5.495  -0.635  -9.562
  155    HA   SER  22           HA       SER  22   3.360   1.137  -9.801
  156    HB2  SER  22           HB2      SER  22   5.746   1.421 -10.600
  157    HB3  SER  22           HB3      SER  22   5.313   0.465 -12.037
  158    HG   SER  22           HG       SER  22   5.118   2.755 -12.351
  159    H    ASN  23           H        ASN  23   3.927  -1.792 -11.721
  160    HA   ASN  23           HA       ASN  23   1.824  -1.260 -13.633
  161    HB2  ASN  23           HB2      ASN  23   3.273  -3.877 -13.072
  162    HB3  ASN  23           HB3      ASN  23   2.416  -3.431 -14.548
  163   HD21  ASN  23          HD21      ASN  23   3.320  -1.190 -15.524
  164   HD22  ASN  23          HD22      ASN  23   5.073  -1.148 -15.595
  165    H    ARG  24           H        ARG  24   1.510  -2.151 -10.437
  166    HA   ARG  24           HA       ARG  24  -0.758  -4.001 -10.687
  167    HB2  ARG  24           HB2      ARG  24   1.101  -3.754  -8.818
  168    HB3  ARG  24           HB3      ARG  24   0.057  -2.474  -8.214
  169    HG2  ARG  24           HG2      ARG  24  -0.646  -4.299  -6.979
  170    HG3  ARG  24           HG3      ARG  24  -1.821  -4.350  -8.294
  171    HD2  ARG  24           HD2      ARG  24  -0.228  -6.026  -9.417
  172    HD3  ARG  24           HD3      ARG  24   0.702  -6.014  -7.914
  173    HE   ARG  24           HE       ARG  24  -2.094  -6.512  -7.358
  174   HH11  ARG  24          HH11      ARG  24   0.692  -8.281  -8.577
  175   HH12  ARG  24          HH12      ARG  24   0.031  -9.800  -8.032
  176   HH21  ARG  24          HH21      ARG  24  -2.834  -8.314  -6.758
  177   HH22  ARG  24          HH22      ARG  24  -1.978  -9.844  -6.992
  178    H    GLY  25           H        GLY  25  -0.446  -0.624 -10.994
  179    HA2  GLY  25           HA2      GLY  25  -2.118   0.813 -11.710
  180    HA3  GLY  25           HA3      GLY  25  -3.352  -0.351 -11.241
  181    H    TYR  26           H        TYR  26  -0.991   0.643  -8.818
  182    HA   TYR  26           HA       TYR  26  -3.039   1.722  -7.107
  183    HB2  TYR  26           HB2      TYR  26  -0.010   1.782  -6.889
  184    HB3  TYR  26           HB3      TYR  26  -1.109   2.298  -5.616
  185    HD1  TYR  26           HD1      TYR  26   0.939  -0.347  -6.463
  186    HD2  TYR  26           HD2      TYR  26  -3.152   0.411  -5.285
  187    HE1  TYR  26           HE1      TYR  26   0.728  -2.669  -5.591
  188    HE2  TYR  26           HE2      TYR  26  -3.353  -1.928  -4.489
  189    HH   TYR  26           HH       TYR  26  -2.361  -3.952  -4.360
  190    H    THR  27           H        THR  27  -3.304   3.790  -6.268
  191    HA   THR  27           HA       THR  27  -2.488   6.026  -8.089
  192    HB   THR  27           HB       THR  27  -4.942   5.404  -7.773
  193    HG1  THR  27           HG1      THR  27  -5.499   7.561  -7.889
  194   HG21  THR  27          HG21      THR  27  -4.871   5.280  -5.236
  195   HG22  THR  27          HG22      THR  27  -4.676   7.042  -5.215
  196   HG23  THR  27          HG23      THR  27  -6.141   6.315  -5.905
  197    H    GLY  28           H        GLY  28  -2.007   4.787  -4.896
  198    HA2  GLY  28           HA2      GLY  28  -0.013   6.766  -4.322
  199    HA3  GLY  28           HA3      GLY  28  -1.456   7.071  -3.363
  200    H    SER  29           H        SER  29   0.631   6.654  -1.913
  201    HA   SER  29           HA       SER  29   0.402   3.987  -0.691
  202    HB2  SER  29           HB2      SER  29   2.751   3.464  -0.965
  203    HB3  SER  29           HB3      SER  29   1.986   3.703  -2.552
  204    HG   SER  29           HG       SER  29   4.009   4.771  -2.437
  205    H    CYS  30           H        CYS  30   1.717   3.727   1.247
  206    HA   CYS  30           HA       CYS  30   3.110   6.015   2.334
  207    HB2  CYS  30           HB2      CYS  30   1.791   6.329   4.340
  208    HB3  CYS  30           HB3      CYS  30   0.736   6.543   2.940
  209    H    GLY  31           H        GLY  31   4.628   5.457   3.922
  210    HA2  GLY  31           HA2      GLY  31   5.377   2.696   4.127
  211    HA3  GLY  31           HA3      GLY  31   6.026   4.008   5.107
  212    H    TYR  32           H        TYR  32   4.861   1.135   5.650
  213    HA   TYR  32           HA       TYR  32   2.752   1.864   7.650
  214    HB2  TYR  32           HB2      TYR  32   2.343   0.496   5.396
  215    HB3  TYR  32           HB3      TYR  32   2.941  -0.843   6.354
  216    HD1  TYR  32           HD1      TYR  32   1.220  -2.109   7.432
  217    HD2  TYR  32           HD2      TYR  32   0.578   2.085   6.621
  218    HE1  TYR  32           HE1      TYR  32  -1.105  -2.294   8.290
  219    HE2  TYR  32           HE2      TYR  32  -1.738   1.896   7.500
  220    HH   TYR  32           HH       TYR  32  -3.064  -1.182   8.754
  221    H    PHE  33           H        PHE  33   2.514  -0.403   9.107
  222    HA   PHE  33           HA       PHE  33   4.912  -0.558  10.747
  223    HB2  PHE  33           HB2      PHE  33   2.670  -1.011  11.645
  224    HB3  PHE  33           HB3      PHE  33   2.524  -2.402  10.560
  225    HD1  PHE  33           HD1      PHE  33   4.939  -1.059  13.145
  226    HD2  PHE  33           HD2      PHE  33   2.930  -4.508  11.504
  227    HE1  PHE  33           HE1      PHE  33   6.014  -2.503  14.856
  228    HE2  PHE  33           HE2      PHE  33   3.991  -5.943  13.230
  229    HZ   PHE  33           HZ       PHE  33   5.541  -4.946  14.902
  230    H    LEU  34           H        LEU  34   6.678  -1.549  10.272
  231    HA   LEU  34           HA       LEU  34   8.289  -2.727   9.381
  232    HB2  LEU  34           HB2      LEU  34   6.309  -4.960   8.902
  233    HB3  LEU  34           HB3      LEU  34   8.061  -5.102   8.964
  234    HG   LEU  34           HG       LEU  34   6.273  -4.287  11.299
  235   HD11  LEU  34          HD11      LEU  34   6.805  -6.486  12.208
  236   HD12  LEU  34          HD12      LEU  34   5.983  -6.624  10.647
  237   HD13  LEU  34          HD13      LEU  34   7.743  -6.887  10.746
  238   HD21  LEU  34          HD21      LEU  34   8.287  -4.639  12.692
  239   HD22  LEU  34          HD22      LEU  34   9.262  -4.868  11.220
  240   HD23  LEU  34          HD23      LEU  34   8.495  -3.298  11.565
  241    H    GLY  35           H        GLY  35   5.565  -3.446   7.172
  242    HA2  GLY  35           HA2      GLY  35   7.291  -3.074   4.771
  243    HA3  GLY  35           HA3      GLY  35   5.678  -3.765   4.838
  244    H    ILE  36           H        ILE  36   4.826  -2.557   3.243
  245    HA   ILE  36           HA       ILE  36   4.331   0.353   3.719
  246    HB   ILE  36           HB       ILE  36   6.064   0.468   2.181
  247   HG12  ILE  36          HG12      ILE  36   3.626   0.421   0.348
  248   HG13  ILE  36          HG13      ILE  36   3.931   1.696   1.507
  249   HG21  ILE  36          HG21      ILE  36   4.806  -1.711   0.490
  250   HG22  ILE  36          HG22      ILE  36   6.318  -0.841   0.155
  251   HG23  ILE  36          HG23      ILE  36   6.227  -1.918   1.537
  252   HD11  ILE  36          HD11      ILE  36   5.587   0.982  -0.912
  253   HD12  ILE  36          HD12      ILE  36   4.695   2.477  -0.593
  254   HD13  ILE  36          HD13      ILE  36   6.146   2.118   0.357
  255    H    CYS  37           H        CYS  37   2.445   1.190   2.944
  256    HA   CYS  37           HA       CYS  37   0.232  -0.697   2.293
  257    HB2  CYS  37           HB2      CYS  37  -0.031   0.661   4.284
  258    HB3  CYS  37           HB3      CYS  37   0.450   2.104   3.419
  259    H    CYS  38           H        CYS  38  -0.664  -0.600   0.290
  260    HA   CYS  38           HA       CYS  38  -0.049   1.670  -1.568
  261    HB2  CYS  38           HB2      CYS  38  -0.195  -1.281  -2.229
  262    HB3  CYS  38           HB3      CYS  38   0.137   0.020  -3.362
  263    H    TYR  39           H        TYR  39  -1.855   2.476  -2.592
  264    HA   TYR  39           HA       TYR  39  -4.421   1.006  -2.266
  265    HB2  TYR  39           HB2      TYR  39  -5.504   3.108  -1.498
  266    HB3  TYR  39           HB3      TYR  39  -4.420   2.342  -0.375
  267    HD1  TYR  39           HD1      TYR  39  -2.606   3.478   0.610
  268    HD2  TYR  39           HD2      TYR  39  -4.741   5.235  -2.704
  269    HE1  TYR  39           HE1      TYR  39  -1.523   5.669   1.078
  270    HE2  TYR  39           HE2      TYR  39  -3.671   7.433  -2.219
  271    HH   TYR  39           HH       TYR  39  -1.314   7.870   0.441
  272    HA   PRO  40           HA       PRO  40  -6.850   1.785  -2.620
  273    HB2  PRO  40           HB2      PRO  40  -8.613   0.725  -4.386
  274    HB3  PRO  40           HB3      PRO  40  -8.401   2.491  -4.177
  275    HG2  PRO  40           HG2      PRO  40  -7.100   0.698  -6.267
  276    HG3  PRO  40           HG3      PRO  40  -8.018   2.218  -6.538
  277    HD2  PRO  40           HD2      PRO  40  -5.312   2.224  -6.389
  278    HD3  PRO  40           HD3      PRO  40  -6.275   3.539  -5.654
  279    H    VAL  41           H        VAL  41  -7.816  -0.285  -2.031
  280    HA   VAL  41           HA       VAL  41  -6.016  -2.432  -1.857
  281    HB   VAL  41           HB       VAL  41  -7.869  -1.820  -0.300
  282   HG11  VAL  41          HG11      VAL  41  -9.709  -1.556  -1.961
  283   HG12  VAL  41          HG12      VAL  41  -9.716  -3.319  -2.193
  284   HG13  VAL  41          HG13      VAL  41 -10.120  -2.624  -0.612
  285   HG21  VAL  41          HG21      VAL  41  -7.825  -4.737  -1.136
  286   HG22  VAL  41          HG22      VAL  41  -6.750  -3.921   0.034
  287   HG23  VAL  41          HG23      VAL  41  -8.465  -4.092   0.387
  288    H    ASP  42           H        ASP  42  -5.907  -4.473  -2.775
  289    HA   ASP  42           HA       ASP  42  -7.087  -4.783  -5.505
  290    HB2  ASP  42           HB2      ASP  42  -4.782  -4.011  -5.601
  291    HB3  ASP  42           HB3      ASP  42  -4.260  -5.311  -4.536
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -6.915  -9.271  -0.125
    2    H2   GLY   1           H2       GLY   1  -7.227 -10.542   0.857
    3    H3   GLY   1           H3       GLY   1  -6.531 -10.792  -0.605
    4    HA2  GLY   1           HA2      GLY   1  -4.879 -11.001   1.127
    5    HA3  GLY   1           HA3      GLY   1  -4.538  -9.625   0.065
    6    H    THR   2           H        THR   2  -3.320  -9.508   2.416
    7    HA   THR   2           HA       THR   2  -4.749  -8.487   4.647
    8    HB   THR   2           HB       THR   2  -1.831  -8.023   3.924
    9    HG1  THR   2           HG1      THR   2  -1.505  -9.921   5.103
   10   HG21  THR   2          HG21      THR   2  -2.534  -6.660   5.858
   11   HG22  THR   2          HG22      THR   2  -3.272  -8.089   6.619
   12   HG23  THR   2          HG23      THR   2  -1.511  -7.995   6.394
   13    H    THR   3           H        THR   3  -5.752  -6.565   4.934
   14    HA   THR   3           HA       THR   3  -5.441  -4.383   3.087
   15    HB   THR   3           HB       THR   3  -6.988  -3.357   5.099
   16    HG1  THR   3           HG1      THR   3  -8.288  -5.041   5.851
   17   HG21  THR   3          HG21      THR   3  -7.629  -3.471   2.815
   18   HG22  THR   3          HG22      THR   3  -7.764  -5.249   2.860
   19   HG23  THR   3          HG23      THR   3  -8.909  -4.237   3.777
   20    H    CYS   4           H        CYS   4  -5.159  -2.224   3.610
   21    HA   CYS   4           HA       CYS   4  -3.747  -1.551   6.096
   22    HB2  CYS   4           HB2      CYS   4  -1.965  -0.404   5.041
   23    HB3  CYS   4           HB3      CYS   4  -2.056  -1.981   4.278
   24    H    TYR   5           H        TYR   5  -3.727   0.854   6.507
   25    HA   TYR   5           HA       TYR   5  -5.876   2.349   5.086
   26    HB2  TYR   5           HB2      TYR   5  -5.716   2.002   8.104
   27    HB3  TYR   5           HB3      TYR   5  -6.766   3.125   7.259
   28    HD1  TYR   5           HD1      TYR   5  -6.150  -0.467   7.986
   29    HD2  TYR   5           HD2      TYR   5  -8.807   2.417   6.181
   30    HE1  TYR   5           HE1      TYR   5  -7.934  -2.199   7.848
   31    HE2  TYR   5           HE2      TYR   5 -10.605   0.693   6.086
   32    HH   TYR   5           HH       TYR   5 -10.103  -2.657   7.255
   33    H    CYS   6           H        CYS   6  -5.327   4.390   4.644
   34    HA   CYS   6           HA       CYS   6  -3.653   5.925   6.540
   35    HB2  CYS   6           HB2      CYS   6  -2.617   4.838   4.008
   36    HB3  CYS   6           HB3      CYS   6  -2.464   6.584   4.082
   37    H    GLY   7           H        GLY   7  -4.291   8.024   6.676
   38    HA2  GLY   7           HA2      GLY   7  -5.400   9.995   6.218
   39    HA3  GLY   7           HA3      GLY   7  -4.832   9.744   4.565
   40    H    LYS   8           H        LYS   8  -7.284   7.989   6.492
   41    HA   LYS   8           HA       LYS   8  -9.383   7.264   6.054
   42    HB2  LYS   8           HB2      LYS   8  -9.609   9.849   6.186
   43    HB3  LYS   8           HB3      LYS   8  -9.930   9.759   4.453
   44    HG2  LYS   8           HG2      LYS   8 -11.875   8.239   4.936
   45    HG3  LYS   8           HG3      LYS   8 -11.498   8.342   6.665
   46    HD2  LYS   8           HD2      LYS   8 -11.882  10.789   6.606
   47    HD3  LYS   8           HD3      LYS   8 -12.218  10.700   4.863
   48    HE2  LYS   8           HE2      LYS   8 -14.131   9.177   5.315
   49    HE3  LYS   8           HE3      LYS   8 -13.803   9.279   7.050
   50    HZ1  LYS   8           HZ1      LYS   8 -14.557  11.578   5.322
   51    HZ2  LYS   8           HZ2      LYS   8 -15.546  10.835   6.384
   52    HZ3  LYS   8           HZ3      LYS   8 -14.256  11.672   6.926
   53    H    THR   9           H        THR   9  -7.244   6.653   4.073
   54    HA   THR   9           HA       THR   9  -8.942   5.635   1.838
   55    HB   THR   9           HB       THR   9  -6.016   6.456   1.611
   56    HG1  THR   9           HG1      THR   9  -7.309   8.276   1.834
   57   HG21  THR   9          HG21      THR   9  -8.115   5.641  -0.450
   58   HG22  THR   9          HG22      THR   9  -6.503   6.290  -0.821
   59   HG23  THR   9          HG23      THR   9  -6.652   4.731  -0.002
   60    H    ILE  10           H        ILE  10  -9.171   3.554   2.092
   61    HA   ILE  10           HA       ILE  10  -7.268   1.812   3.454
   62    HB   ILE  10           HB       ILE  10  -9.707   1.526   3.594
   63   HG12  ILE  10          HG12      ILE  10  -8.325  -0.863   2.295
   64   HG13  ILE  10          HG13      ILE  10  -8.291  -0.418   4.006
   65   HG21  ILE  10          HG21      ILE  10  -9.600   0.708   0.671
   66   HG22  ILE  10          HG22      ILE  10 -11.044   0.812   1.711
   67   HG23  ILE  10          HG23      ILE  10 -10.185   2.281   1.254
   68   HD11  ILE  10          HD11      ILE  10  -9.896  -2.158   3.792
   69   HD12  ILE  10          HD12      ILE  10 -10.830  -0.671   4.016
   70   HD13  ILE  10          HD13      ILE  10 -10.674  -1.396   2.398
   71    H    GLY  11           H        GLY  11  -6.006   0.180   2.507
   72    HA2  GLY  11           HA2      GLY  11  -5.788  -0.020  -0.445
   73    HA3  GLY  11           HA3      GLY  11  -4.363   0.475   0.467
   74    H    ILE  12           H        ILE  12  -3.573  -1.408  -0.633
   75    HA   ILE  12           HA       ILE  12  -3.969  -3.974   0.804
   76    HB   ILE  12           HB       ILE  12  -3.554  -3.269  -1.958
   77   HG12  ILE  12          HG12      ILE  12  -5.102  -4.922  -1.237
   78   HG13  ILE  12          HG13      ILE  12  -3.966  -5.567  -2.416
   79   HG21  ILE  12          HG21      ILE  12  -1.241  -3.285  -1.808
   80   HG22  ILE  12          HG22      ILE  12  -1.193  -4.830  -0.904
   81   HG23  ILE  12          HG23      ILE  12  -1.735  -4.814  -2.571
   82   HD11  ILE  12          HD11      ILE  12  -4.314  -7.287  -0.834
   83   HD12  ILE  12          HD12      ILE  12  -2.698  -6.647  -0.483
   84   HD13  ILE  12          HD13      ILE  12  -4.094  -6.195   0.531
   85    H    TYR  13           H        TYR  13  -2.278  -4.907   1.873
   86    HA   TYR  13           HA       TYR  13   0.025  -3.125   2.538
   87    HB2  TYR  13           HB2      TYR  13  -1.155  -3.981   4.452
   88    HB3  TYR  13           HB3      TYR  13  -1.058  -5.624   3.840
   89    HD1  TYR  13           HD1      TYR  13   1.342  -2.789   4.571
   90    HD2  TYR  13           HD2      TYR  13   0.495  -7.014   4.836
   91    HE1  TYR  13           HE1      TYR  13   3.540  -3.167   5.697
   92    HE2  TYR  13           HE2      TYR  13   2.667  -7.380   5.978
   93    HH   TYR  13           HH       TYR  13   4.564  -6.434   6.767
   94    H    TRP  14           H        TRP  14   2.000  -3.424   1.814
   95    HA   TRP  14           HA       TRP  14   2.825  -6.047   0.619
   96    HB2  TRP  14           HB2      TRP  14   3.584  -3.202  -0.049
   97    HB3  TRP  14           HB3      TRP  14   4.577  -4.566  -0.517
   98    HD1  TRP  14           HD1      TRP  14   1.323  -2.843  -1.369
   99    HE1  TRP  14           HE1      TRP  14   0.318  -3.850  -3.527
  100    HE3  TRP  14           HE3      TRP  14   4.548  -6.770  -2.027
  101    HZ2  TRP  14           HZ2      TRP  14   0.863  -6.029  -5.299
  102    HZ3  TRP  14           HZ3      TRP  14   4.281  -8.298  -3.971
  103    HH2  TRP  14           HH2      TRP  14   2.442  -7.946  -5.605
  104    H    PHE  15           H        PHE  15   4.296  -7.147   1.682
  105    HA   PHE  15           HA       PHE  15   5.875  -5.896   3.872
  106    HB2  PHE  15           HB2      PHE  15   4.563  -7.808   4.527
  107    HB3  PHE  15           HB3      PHE  15   5.162  -8.758   3.179
  108    HD1  PHE  15           HD1      PHE  15   6.682 -10.430   3.749
  109    HD2  PHE  15           HD2      PHE  15   6.699  -6.761   6.024
  110    HE1  PHE  15           HE1      PHE  15   8.519 -11.308   5.167
  111    HE2  PHE  15           HE2      PHE  15   8.530  -7.644   7.434
  112    HZ   PHE  15           HZ       PHE  15   9.448  -9.919   7.009
  113    H    GLY  16           H        GLY  16   8.095  -6.001   3.964
  114    HA2  GLY  16           HA2      GLY  16  10.280  -6.414   3.357
  115    HA3  GLY  16           HA3      GLY  16   9.701  -7.668   2.257
  116    H    THR  17           H        THR  17   8.535  -4.399   1.829
  117    HA   THR  17           HA       THR  17  10.559  -3.659  -0.153
  118    HB   THR  17           HB       THR  17   8.709  -4.880  -1.416
  119    HG1  THR  17           HG1      THR  17   9.774  -3.585  -2.695
  120   HG21  THR  17          HG21      THR  17   7.043  -2.437  -0.892
  121   HG22  THR  17          HG22      THR  17   6.629  -3.883  -1.816
  122   HG23  THR  17          HG23      THR  17   6.793  -3.984  -0.049
  123    H    LYS  18           H        LYS  18  10.234  -1.437  -0.826
  124    HA   LYS  18           HA       LYS  18   9.086   0.348   1.303
  125    HB2  LYS  18           HB2      LYS  18  11.617  -0.002   1.241
  126    HB3  LYS  18           HB3      LYS  18  11.624   0.903  -0.276
  127    HG2  LYS  18           HG2      LYS  18  10.724   2.883   0.867
  128    HG3  LYS  18           HG3      LYS  18  10.458   1.948   2.345
  129    HD2  LYS  18           HD2      LYS  18  12.409   3.329   2.628
  130    HD3  LYS  18           HD3      LYS  18  12.917   1.635   2.578
  131    HE2  LYS  18           HE2      LYS  18  13.590   1.905   0.202
  132    HE3  LYS  18           HE3      LYS  18  13.021   3.580   0.223
  133    HZ1  LYS  18           HZ1      LYS  18  15.420   3.455   0.577
  134    HZ2  LYS  18           HZ2      LYS  18  14.710   4.062   1.914
  135    HZ3  LYS  18           HZ3      LYS  18  15.236   2.513   1.897
  136    H    THR  19           H        THR  19   8.868  -0.473  -1.897
  137    HA   THR  19           HA       THR  19   7.476   2.072  -2.612
  138    HB   THR  19           HB       THR  19   9.699   1.870  -3.756
  139    HG1  THR  19           HG1      THR  19   8.815   2.530  -5.696
  140   HG21  THR  19          HG21      THR  19   9.925   0.385  -5.670
  141   HG22  THR  19          HG22      THR  19   9.656  -0.597  -4.221
  142   HG23  THR  19          HG23      THR  19   8.327  -0.332  -5.371
  143    H    CYS  20           H        CYS  20   5.882   1.778  -4.404
  144    HA   CYS  20           HA       CYS  20   4.366  -0.747  -3.980
  145    HB2  CYS  20           HB2      CYS  20   3.489   1.970  -4.979
  146    HB3  CYS  20           HB3      CYS  20   2.448   0.547  -4.908
  147    HA   PRO  21           HA       PRO  21   5.604  -1.833  -8.145
  148    HB2  PRO  21           HB2      PRO  21   4.110  -4.100  -8.522
  149    HB3  PRO  21           HB3      PRO  21   5.527  -4.034  -7.425
  150    HG2  PRO  21           HG2      PRO  21   2.597  -3.769  -6.715
  151    HG3  PRO  21           HG3      PRO  21   3.830  -4.765  -5.897
  152    HD2  PRO  21           HD2      PRO  21   3.133  -2.347  -4.924
  153    HD3  PRO  21           HD3      PRO  21   4.823  -2.934  -4.848
  154    H    SER  22           H        SER  22   5.072  -0.608  -9.727
  155    HA   SER  22           HA       SER  22   2.715   0.706 -10.253
  156    HB2  SER  22           HB2      SER  22   4.737  -0.221 -12.335
  157    HB3  SER  22           HB3      SER  22   3.681   1.198 -12.411
  158    HG   SER  22           HG       SER  22   5.806   1.762 -11.760
  159    H    ASN  23           H        ASN  23   3.545  -2.555 -11.278
  160    HA   ASN  23           HA       ASN  23   1.610  -2.784 -13.389
  161    HB2  ASN  23           HB2      ASN  23   3.007  -4.997 -11.828
  162    HB3  ASN  23           HB3      ASN  23   2.291  -5.112 -13.437
  163   HD21  ASN  23          HD21      ASN  23   3.286  -3.420 -15.089
  164   HD22  ASN  23          HD22      ASN  23   5.034  -3.289 -14.989
  165    H    ARG  24           H        ARG  24   1.047  -2.738 -10.041
  166    HA   ARG  24           HA       ARG  24  -1.565  -4.201 -10.301
  167    HB2  ARG  24           HB2      ARG  24   0.173  -3.356  -7.995
  168    HB3  ARG  24           HB3      ARG  24  -1.564  -3.443  -7.753
  169    HG2  ARG  24           HG2      ARG  24  -0.666  -5.471  -7.008
  170    HG3  ARG  24           HG3      ARG  24  -1.582  -5.817  -8.462
  171    HD2  ARG  24           HD2      ARG  24   1.448  -5.470  -8.467
  172    HD3  ARG  24           HD3      ARG  24   0.657  -7.009  -8.095
  173    HE   ARG  24           HE       ARG  24  -0.225  -5.803 -10.612
  174   HH11  ARG  24          HH11      ARG  24   2.146  -8.008  -9.267
  175   HH12  ARG  24          HH12      ARG  24   2.431  -8.765 -10.811
  176   HH21  ARG  24          HH21      ARG  24   0.200  -6.762 -12.511
  177   HH22  ARG  24          HH22      ARG  24   1.325  -8.092 -12.606
  178    H    GLY  25           H        GLY  25  -0.425  -1.081 -10.814
  179    HA2  GLY  25           HA2      GLY  25  -1.667   0.676 -11.624
  180    HA3  GLY  25           HA3      GLY  25  -3.154  -0.208 -11.280
  181    H    TYR  26           H        TYR  26  -0.762   0.506  -8.766
  182    HA   TYR  26           HA       TYR  26  -2.690   1.810  -7.093
  183    HB2  TYR  26           HB2      TYR  26   0.337   1.688  -6.921
  184    HB3  TYR  26           HB3      TYR  26  -0.718   2.240  -5.616
  185    HD1  TYR  26           HD1      TYR  26   1.224  -0.464  -6.524
  186    HD2  TYR  26           HD2      TYR  26  -2.834   0.407  -5.294
  187    HE1  TYR  26           HE1      TYR  26   0.941  -2.789  -5.719
  188    HE2  TYR  26           HE2      TYR  26  -3.115  -1.952  -4.578
  189    HH   TYR  26           HH       TYR  26  -2.173  -4.045  -4.567
  190    H    THR  27           H        THR  27  -2.860   3.912  -6.381
  191    HA   THR  27           HA       THR  27  -1.706   6.033  -8.165
  192    HB   THR  27           HB       THR  27  -4.176   5.525  -8.356
  193    HG1  THR  27           HG1      THR  27  -3.306   8.129  -7.661
  194   HG21  THR  27          HG21      THR  27  -4.409   7.121  -5.770
  195   HG22  THR  27          HG22      THR  27  -5.714   6.464  -6.778
  196   HG23  THR  27          HG23      THR  27  -4.651   5.368  -5.880
  197    H    GLY  28           H        GLY  28  -1.679   4.885  -4.962
  198    HA2  GLY  28           HA2      GLY  28   0.060   7.013  -4.118
  199    HA3  GLY  28           HA3      GLY  28  -1.507   7.145  -3.329
  200    H    SER  29           H        SER  29   0.567   6.813  -1.710
  201    HA   SER  29           HA       SER  29   0.342   4.109  -0.594
  202    HB2  SER  29           HB2      SER  29   2.685   3.580  -0.775
  203    HB3  SER  29           HB3      SER  29   2.028   3.894  -2.392
  204    HG   SER  29           HG       SER  29   2.999   5.925  -2.377
  205    H    CYS  30           H        CYS  30   1.604   3.818   1.402
  206    HA   CYS  30           HA       CYS  30   2.982   6.088   2.553
  207    HB2  CYS  30           HB2      CYS  30   1.675   6.438   4.498
  208    HB3  CYS  30           HB3      CYS  30   0.520   6.459   3.165
  209    H    GLY  31           H        GLY  31   4.472   5.516   4.188
  210    HA2  GLY  31           HA2      GLY  31   5.331   2.787   4.263
  211    HA3  GLY  31           HA3      GLY  31   5.875   4.066   5.348
  212    H    TYR  32           H        TYR  32   4.916   1.122   5.702
  213    HA   TYR  32           HA       TYR  32   2.850   1.579   7.819
  214    HB2  TYR  32           HB2      TYR  32   2.220   0.587   5.432
  215    HB3  TYR  32           HB3      TYR  32   2.868  -0.896   6.102
  216    HD1  TYR  32           HD1      TYR  32   1.290  -2.299   7.240
  217    HD2  TYR  32           HD2      TYR  32   0.526   1.939   6.913
  218    HE1  TYR  32           HE1      TYR  32  -0.980  -2.624   8.218
  219    HE2  TYR  32           HE2      TYR  32  -1.714   1.616   7.934
  220    HH   TYR  32           HH       TYR  32  -3.188   0.120   8.874
  221    H    PHE  33           H        PHE  33   2.673  -0.538   9.248
  222    HA   PHE  33           HA       PHE  33   5.187  -0.827  10.567
  223    HB2  PHE  33           HB2      PHE  33   2.973  -1.145  11.631
  224    HB3  PHE  33           HB3      PHE  33   2.768  -2.632  10.694
  225    HD1  PHE  33           HD1      PHE  33   5.364  -1.071  12.965
  226    HD2  PHE  33           HD2      PHE  33   3.174  -4.623  11.864
  227    HE1  PHE  33           HE1      PHE  33   6.523  -2.346  14.755
  228    HE2  PHE  33           HE2      PHE  33   4.320  -5.886  13.670
  229    HZ   PHE  33           HZ       PHE  33   6.002  -4.753  15.109
  230    H    LEU  34           H        LEU  34   6.893  -1.961  10.054
  231    HA   LEU  34           HA       LEU  34   8.363  -3.301   9.101
  232    HB2  LEU  34           HB2      LEU  34   6.222  -5.430   9.057
  233    HB3  LEU  34           HB3      LEU  34   7.962  -5.689   9.010
  234    HG   LEU  34           HG       LEU  34   6.443  -4.494  11.368
  235   HD11  LEU  34          HD11      LEU  34   6.879  -6.660  12.422
  236   HD12  LEU  34          HD12      LEU  34   5.915  -6.833  10.941
  237   HD13  LEU  34          HD13      LEU  34   7.646  -7.243  10.920
  238   HD21  LEU  34          HD21      LEU  34   9.358  -5.344  11.108
  239   HD22  LEU  34          HD22      LEU  34   8.758  -3.682  11.334
  240   HD23  LEU  34          HD23      LEU  34   8.540  -4.874  12.618
  241    H    GLY  35           H        GLY  35   6.064  -2.119   7.223
  242    HA2  GLY  35           HA2      GLY  35   7.439  -2.774   4.703
  243    HA3  GLY  35           HA3      GLY  35   5.849  -3.511   4.863
  244    H    ILE  36           H        ILE  36   4.719  -2.419   3.351
  245    HA   ILE  36           HA       ILE  36   4.243   0.489   3.714
  246    HB   ILE  36           HB       ILE  36   6.003   0.608   2.218
  247   HG12  ILE  36          HG12      ILE  36   3.584   0.605   0.374
  248   HG13  ILE  36          HG13      ILE  36   3.880   1.837   1.574
  249   HG21  ILE  36          HG21      ILE  36   4.780  -1.457   0.363
  250   HG22  ILE  36          HG22      ILE  36   6.347  -0.647   0.210
  251   HG23  ILE  36          HG23      ILE  36   6.097  -1.815   1.496
  252   HD11  ILE  36          HD11      ILE  36   4.663   2.682  -0.514
  253   HD12  ILE  36          HD12      ILE  36   6.087   2.334   0.475
  254   HD13  ILE  36          HD13      ILE  36   5.597   1.212  -0.835
  255    H    CYS  37           H        CYS  37   2.362   1.275   2.984
  256    HA   CYS  37           HA       CYS  37   0.182  -0.628   2.275
  257    HB2  CYS  37           HB2      CYS  37  -0.084   0.721   4.302
  258    HB3  CYS  37           HB3      CYS  37   0.345   2.177   3.424
  259    H    CYS  38           H        CYS  38  -0.645  -0.518   0.239
  260    HA   CYS  38           HA       CYS  38   0.006   1.781  -1.571
  261    HB2  CYS  38           HB2      CYS  38  -0.094  -1.166  -2.223
  262    HB3  CYS  38           HB3      CYS  38   0.215   0.123  -3.373
  263    H    TYR  39           H        TYR  39  -1.765   2.596  -2.657
  264    HA   TYR  39           HA       TYR  39  -4.324   1.101  -2.471
  265    HB2  TYR  39           HB2      TYR  39  -5.476   3.197  -1.752
  266    HB3  TYR  39           HB3      TYR  39  -4.464   2.402  -0.582
  267    HD1  TYR  39           HD1      TYR  39  -2.697   3.511   0.525
  268    HD2  TYR  39           HD2      TYR  39  -4.675   5.352  -2.843
  269    HE1  TYR  39           HE1      TYR  39  -1.682   5.701   1.131
  270    HE2  TYR  39           HE2      TYR  39  -3.679   7.552  -2.213
  271    HH   TYR  39           HH       TYR  39  -1.486   7.927   0.594
  272    HA   PRO  40           HA       PRO  40  -6.750   1.905  -2.949
  273    HB2  PRO  40           HB2      PRO  40  -8.394   0.769  -4.791
  274    HB3  PRO  40           HB3      PRO  40  -8.220   2.540  -4.602
  275    HG2  PRO  40           HG2      PRO  40  -6.770   0.735  -6.580
  276    HG3  PRO  40           HG3      PRO  40  -7.699   2.232  -6.932
  277    HD2  PRO  40           HD2      PRO  40  -5.011   2.314  -6.632
  278    HD3  PRO  40           HD3      PRO  40  -6.044   3.601  -5.943
  279    H    VAL  41           H        VAL  41  -7.702  -0.115  -2.295
  280    HA   VAL  41           HA       VAL  41  -5.935  -2.319  -2.056
  281    HB   VAL  41           HB       VAL  41  -7.691  -1.628  -0.447
  282   HG11  VAL  41          HG11      VAL  41  -9.568  -1.220  -2.029
  283   HG12  VAL  41          HG12      VAL  41  -9.704  -2.974  -2.280
  284   HG13  VAL  41          HG13      VAL  41 -10.000  -2.275  -0.678
  285   HG21  VAL  41          HG21      VAL  41  -6.706  -3.820  -0.184
  286   HG22  VAL  41          HG22      VAL  41  -8.409  -3.854   0.258
  287   HG23  VAL  41          HG23      VAL  41  -7.902  -4.535  -1.299
  288    H    ASP  42           H        ASP  42  -5.875  -4.350  -2.979
  289    HA   ASP  42           HA       ASP  42  -7.310  -4.739  -5.571
  290    HB2  ASP  42           HB2      ASP  42  -4.891  -4.449  -5.796
  291    HB3  ASP  42           HB3      ASP  42  -4.606  -5.779  -4.680
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -7.031 -13.609   3.994
    2    H2   GLY   1           H2       GLY   1  -6.871 -12.944   5.484
    3    H3   GLY   1           H3       GLY   1  -5.574 -13.050   4.490
    4    HA2  GLY   1           HA2      GLY   1  -6.555 -11.502   2.932
    5    HA3  GLY   1           HA3      GLY   1  -7.969 -11.397   3.999
    6    H    THR   2           H        THR   2  -5.633  -9.513   3.075
    7    HA   THR   2           HA       THR   2  -5.044  -8.319   5.747
    8    HB   THR   2           HB       THR   2  -2.925  -8.617   3.594
    9    HG1  THR   2           HG1      THR   2  -2.101 -10.302   4.818
   10   HG21  THR   2          HG21      THR   2  -2.468  -6.860   5.275
   11   HG22  THR   2          HG22      THR   2  -2.783  -8.014   6.589
   12   HG23  THR   2          HG23      THR   2  -1.384  -8.232   5.518
   13    H    THR   3           H        THR   3  -4.813  -6.095   5.772
   14    HA   THR   3           HA       THR   3  -5.270  -4.503   3.304
   15    HB   THR   3           HB       THR   3  -6.901  -3.322   5.222
   16    HG1  THR   3           HG1      THR   3  -8.271  -4.931   5.953
   17   HG21  THR   3          HG21      THR   3  -7.464  -3.487   2.908
   18   HG22  THR   3          HG22      THR   3  -7.595  -5.261   2.992
   19   HG23  THR   3          HG23      THR   3  -8.778  -4.234   3.834
   20    H    CYS   4           H        CYS   4  -5.141  -2.144   3.708
   21    HA   CYS   4           HA       CYS   4  -3.697  -1.371   6.149
   22    HB2  CYS   4           HB2      CYS   4  -1.947  -0.252   5.050
   23    HB3  CYS   4           HB3      CYS   4  -2.007  -1.851   4.333
   24    H    TYR   5           H        TYR   5  -3.734   0.982   6.582
   25    HA   TYR   5           HA       TYR   5  -5.841   2.476   5.077
   26    HB2  TYR   5           HB2      TYR   5  -5.670   2.159   8.091
   27    HB3  TYR   5           HB3      TYR   5  -6.682   3.329   7.265
   28    HD1  TYR   5           HD1      TYR   5  -6.284  -0.216   8.153
   29    HD2  TYR   5           HD2      TYR   5  -8.673   2.648   5.975
   30    HE1  TYR   5           HE1      TYR   5  -8.163  -1.848   8.068
   31    HE2  TYR   5           HE2      TYR   5 -10.568   1.027   5.937
   32    HH   TYR   5           HH       TYR   5 -10.326  -2.230   7.418
   33    H    CYS   6           H        CYS   6  -5.382   4.509   4.640
   34    HA   CYS   6           HA       CYS   6  -3.676   6.126   6.438
   35    HB2  CYS   6           HB2      CYS   6  -2.785   5.176   3.761
   36    HB3  CYS   6           HB3      CYS   6  -2.573   6.895   4.038
   37    H    GLY   7           H        GLY   7  -4.414   8.192   6.606
   38    HA2  GLY   7           HA2      GLY   7  -5.641  10.101   6.210
   39    HA3  GLY   7           HA3      GLY   7  -5.261   9.838   4.506
   40    H    LYS   8           H        LYS   8  -7.302   7.802   6.593
   41    HA   LYS   8           HA       LYS   8  -9.333   6.865   6.310
   42    HB2  LYS   8           HB2      LYS   8  -9.830   9.362   6.799
   43    HB3  LYS   8           HB3      LYS   8 -10.402   9.420   5.130
   44    HG2  LYS   8           HG2      LYS   8 -12.021   7.602   5.640
   45    HG3  LYS   8           HG3      LYS   8 -11.426   7.500   7.293
   46    HD2  LYS   8           HD2      LYS   8 -12.574  10.103   6.193
   47    HD3  LYS   8           HD3      LYS   8 -13.615   8.794   6.727
   48    HE2  LYS   8           HE2      LYS   8 -13.486  10.213   8.570
   49    HE3  LYS   8           HE3      LYS   8 -12.495   8.813   8.973
   50    HZ1  LYS   8           HZ1      LYS   8 -11.441  11.430   8.017
   51    HZ2  LYS   8           HZ2      LYS   8 -11.438  10.935   9.569
   52    HZ3  LYS   8           HZ3      LYS   8 -10.523  10.151   8.476
   53    H    THR   9           H        THR   9  -7.438   6.702   4.103
   54    HA   THR   9           HA       THR   9  -9.242   5.622   1.983
   55    HB   THR   9           HB       THR   9  -6.334   6.495   1.661
   56    HG1  THR   9           HG1      THR   9  -7.739   8.257   1.846
   57   HG21  THR   9          HG21      THR   9  -6.905   4.693   0.110
   58   HG22  THR   9          HG22      THR   9  -8.406   5.526  -0.358
   59   HG23  THR   9          HG23      THR   9  -6.822   6.225  -0.760
   60    H    ILE  10           H        ILE  10  -9.100   3.475   1.691
   61    HA   ILE  10           HA       ILE  10  -7.240   1.880   3.366
   62    HB   ILE  10           HB       ILE  10  -9.631   1.525   3.645
   63   HG12  ILE  10          HG12      ILE  10  -8.267  -0.872   2.345
   64   HG13  ILE  10          HG13      ILE  10  -8.190  -0.386   4.043
   65   HG21  ILE  10          HG21      ILE  10 -10.327   2.221   1.395
   66   HG22  ILE  10          HG22      ILE  10  -9.674   0.703   0.731
   67   HG23  ILE  10          HG23      ILE  10 -11.055   0.691   1.861
   68   HD11  ILE  10          HD11      ILE  10 -10.575  -1.495   2.532
   69   HD12  ILE  10          HD12      ILE  10  -9.752  -2.159   3.952
   70   HD13  ILE  10          HD13      ILE  10 -10.736  -0.697   4.115
   71    H    GLY  11           H        GLY  11  -5.950   0.261   2.508
   72    HA2  GLY  11           HA2      GLY  11  -5.773  -0.103  -0.436
   73    HA3  GLY  11           HA3      GLY  11  -4.348   0.433   0.447
   74    H    ILE  12           H        ILE  12  -3.535  -1.472  -0.548
   75    HA   ILE  12           HA       ILE  12  -3.941  -3.965   1.002
   76    HB   ILE  12           HB       ILE  12  -3.616  -3.431  -1.785
   77   HG12  ILE  12          HG12      ILE  12  -5.063  -5.090  -0.909
   78   HG13  ILE  12          HG13      ILE  12  -3.959  -5.770  -2.092
   79   HG21  ILE  12          HG21      ILE  12  -1.742  -4.902  -2.397
   80   HG22  ILE  12          HG22      ILE  12  -1.286  -3.331  -1.685
   81   HG23  ILE  12          HG23      ILE  12  -1.157  -4.850  -0.745
   82   HD11  ILE  12          HD11      ILE  12  -2.579  -6.804  -0.341
   83   HD12  ILE  12          HD12      ILE  12  -3.635  -6.129   0.917
   84   HD13  ILE  12          HD13      ILE  12  -4.267  -7.327  -0.222
   85    H    TYR  13           H        TYR  13  -2.191  -4.881   2.081
   86    HA   TYR  13           HA       TYR  13   0.097  -3.052   2.638
   87    HB2  TYR  13           HB2      TYR  13  -1.013  -3.801   4.620
   88    HB3  TYR  13           HB3      TYR  13  -1.010  -5.469   4.063
   89    HD1  TYR  13           HD1      TYR  13   1.496  -2.696   4.670
   90    HD2  TYR  13           HD2      TYR  13   0.561  -6.899   4.995
   91    HE1  TYR  13           HE1      TYR  13   3.733  -3.122   5.697
   92    HE2  TYR  13           HE2      TYR  13   2.768  -7.311   6.050
   93    HH   TYR  13           HH       TYR  13   4.723  -6.415   6.728
   94    H    TRP  14           H        TRP  14   2.048  -3.396   1.884
   95    HA   TRP  14           HA       TRP  14   2.804  -6.044   0.697
   96    HB2  TRP  14           HB2      TRP  14   3.582  -3.219  -0.038
   97    HB3  TRP  14           HB3      TRP  14   4.537  -4.598  -0.523
   98    HD1  TRP  14           HD1      TRP  14   1.290  -2.856  -1.304
   99    HE1  TRP  14           HE1      TRP  14   0.237  -3.875  -3.425
  100    HE3  TRP  14           HE3      TRP  14   4.408  -6.878  -1.933
  101    HZ2  TRP  14           HZ2      TRP  14   0.642  -6.146  -5.118
  102    HZ3  TRP  14           HZ3      TRP  14   4.032  -8.468  -3.807
  103    HH2  TRP  14           HH2      TRP  14   2.154  -8.122  -5.397
  104    H    PHE  15           H        PHE  15   4.270  -7.158   1.723
  105    HA   PHE  15           HA       PHE  15   5.864  -5.962   3.926
  106    HB2  PHE  15           HB2      PHE  15   4.496  -7.857   4.528
  107    HB3  PHE  15           HB3      PHE  15   5.089  -8.791   3.170
  108    HD1  PHE  15           HD1      PHE  15   6.368 -10.601   3.858
  109    HD2  PHE  15           HD2      PHE  15   6.796  -6.860   5.967
  110    HE1  PHE  15           HE1      PHE  15   8.120 -11.605   5.299
  111    HE2  PHE  15           HE2      PHE  15   8.544  -7.868   7.399
  112    HZ   PHE  15           HZ       PHE  15   9.212 -10.243   7.072
  113    H    GLY  16           H        GLY  16   8.068  -6.017   3.999
  114    HA2  GLY  16           HA2      GLY  16  10.260  -6.449   3.422
  115    HA3  GLY  16           HA3      GLY  16   9.698  -7.729   2.343
  116    H    THR  17           H        THR  17   8.459  -4.524   1.819
  117    HA   THR  17           HA       THR  17  10.500  -3.759  -0.146
  118    HB   THR  17           HB       THR  17   8.682  -4.944  -1.443
  119    HG1  THR  17           HG1      THR  17   8.515  -3.211  -2.909
  120   HG21  THR  17          HG21      THR  17   6.757  -4.147  -0.008
  121   HG22  THR  17          HG22      THR  17   6.936  -2.581  -0.834
  122   HG23  THR  17          HG23      THR  17   6.561  -4.031  -1.769
  123    H    LYS  18           H        LYS  18  10.149  -1.526  -0.796
  124    HA   LYS  18           HA       LYS  18   8.924   0.216   1.313
  125    HB2  LYS  18           HB2      LYS  18  11.567  -0.171   1.287
  126    HB3  LYS  18           HB3      LYS  18  11.512   0.959  -0.058
  127    HG2  LYS  18           HG2      LYS  18  11.745   2.494   1.577
  128    HG3  LYS  18           HG3      LYS  18   9.997   2.347   1.713
  129    HD2  LYS  18           HD2      LYS  18  12.060   0.842   3.390
  130    HD3  LYS  18           HD3      LYS  18  11.218   2.286   3.922
  131    HE2  LYS  18           HE2      LYS  18   9.778  -0.301   3.173
  132    HE3  LYS  18           HE3      LYS  18  10.366   0.039   4.797
  133    HZ1  LYS  18           HZ1      LYS  18   8.953   1.972   4.911
  134    HZ2  LYS  18           HZ2      LYS  18   8.426   1.780   3.376
  135    HZ3  LYS  18           HZ3      LYS  18   8.026   0.682   4.530
  136    H    THR  19           H        THR  19   8.825  -0.563  -1.814
  137    HA   THR  19           HA       THR  19   7.432   1.951  -2.581
  138    HB   THR  19           HB       THR  19   9.696   1.828  -3.685
  139    HG1  THR  19           HG1      THR  19   8.817   2.497  -5.628
  140   HG21  THR  19          HG21      THR  19   8.397  -0.377  -5.357
  141   HG22  THR  19          HG22      THR  19   9.983   0.379  -5.621
  142   HG23  THR  19          HG23      THR  19   9.716  -0.632  -4.192
  143    H    CYS  20           H        CYS  20   5.864   1.610  -4.371
  144    HA   CYS  20           HA       CYS  20   4.438  -0.963  -3.981
  145    HB2  CYS  20           HB2      CYS  20   3.512   1.671  -5.163
  146    HB3  CYS  20           HB3      CYS  20   2.513   0.228  -4.975
  147    HA   PRO  21           HA       PRO  21   5.752  -2.322  -8.022
  148    HB2  PRO  21           HB2      PRO  21   3.911  -4.312  -8.510
  149    HB3  PRO  21           HB3      PRO  21   5.242  -4.469  -7.321
  150    HG2  PRO  21           HG2      PRO  21   2.367  -3.667  -6.806
  151    HG3  PRO  21           HG3      PRO  21   3.326  -4.879  -5.914
  152    HD2  PRO  21           HD2      PRO  21   3.057  -2.396  -4.947
  153    HD3  PRO  21           HD3      PRO  21   4.633  -3.240  -4.834
  154    H    SER  22           H        SER  22   5.575  -1.089  -9.673
  155    HA   SER  22           HA       SER  22   3.553   0.700 -10.202
  156    HB2  SER  22           HB2      SER  22   5.572  -0.370 -12.209
  157    HB3  SER  22           HB3      SER  22   4.788   1.219 -12.208
  158    HG   SER  22           HG       SER  22   6.905   1.310 -11.333
  159    H    ASN  23           H        ASN  23   3.841  -2.547 -11.555
  160    HA   ASN  23           HA       ASN  23   1.937  -2.123 -13.714
  161    HB2  ASN  23           HB2      ASN  23   3.160  -4.655 -12.533
  162    HB3  ASN  23           HB3      ASN  23   2.182  -4.598 -13.995
  163   HD21  ASN  23          HD21      ASN  23   5.365  -4.634 -12.974
  164   HD22  ASN  23          HD22      ASN  23   6.069  -3.880 -14.396
  165    H    ARG  24           H        ARG  24   1.377  -2.437 -10.390
  166    HA   ARG  24           HA       ARG  24  -1.090  -4.031 -10.597
  167    HB2  ARG  24           HB2      ARG  24   0.761  -3.830  -8.659
  168    HB3  ARG  24           HB3      ARG  24  -0.260  -2.495  -8.161
  169    HG2  ARG  24           HG2      ARG  24  -1.298  -4.121  -6.972
  170    HG3  ARG  24           HG3      ARG  24  -2.195  -4.404  -8.448
  171    HD2  ARG  24           HD2      ARG  24   0.373  -5.847  -7.637
  172    HD3  ARG  24           HD3      ARG  24  -1.228  -6.459  -7.289
  173    HE   ARG  24           HE       ARG  24   0.184  -6.528  -9.839
  174   HH11  ARG  24          HH11      ARG  24  -3.088  -6.698  -8.472
  175   HH12  ARG  24          HH12      ARG  24  -3.670  -7.565  -9.866
  176   HH21  ARG  24          HH21      ARG  24  -0.689  -7.623 -11.554
  177   HH22  ARG  24          HH22      ARG  24  -2.372  -8.060 -11.544
  178    H    GLY  25           H        GLY  25  -0.404  -0.740 -11.079
  179    HA2  GLY  25           HA2      GLY  25  -1.864   0.911 -11.776
  180    HA3  GLY  25           HA3      GLY  25  -3.234  -0.138 -11.415
  181    H    TYR  26           H        TYR  26  -0.822   0.695  -8.938
  182    HA   TYR  26           HA       TYR  26  -2.828   1.770  -7.179
  183    HB2  TYR  26           HB2      TYR  26   0.208   1.782  -7.038
  184    HB3  TYR  26           HB3      TYR  26  -0.830   2.367  -5.743
  185    HD1  TYR  26           HD1      TYR  26   1.096  -0.388  -6.605
  186    HD2  TYR  26           HD2      TYR  26  -2.900   0.581  -5.258
  187    HE1  TYR  26           HE1      TYR  26   0.845  -2.653  -5.618
  188    HE2  TYR  26           HE2      TYR  26  -3.137  -1.708  -4.335
  189    HH   TYR  26           HH       TYR  26  -2.220  -3.767  -4.194
  190    H    THR  27           H        THR  27  -3.133   3.835  -6.365
  191    HA   THR  27           HA       THR  27  -2.258   6.073  -8.158
  192    HB   THR  27           HB       THR  27  -4.718   5.439  -7.990
  193    HG1  THR  27           HG1      THR  27  -3.862   8.079  -7.424
  194   HG21  THR  27          HG21      THR  27  -4.813   5.298  -5.462
  195   HG22  THR  27          HG22      THR  27  -4.627   7.060  -5.408
  196   HG23  THR  27          HG23      THR  27  -6.039   6.338  -6.207
  197    H    GLY  28           H        GLY  28  -1.853   4.848  -4.978
  198    HA2  GLY  28           HA2      GLY  28   0.002   6.921  -4.292
  199    HA3  GLY  28           HA3      GLY  28  -1.494   7.130  -3.387
  200    H    SER  29           H        SER  29   0.629   6.759  -1.900
  201    HA   SER  29           HA       SER  29   0.354   4.098  -0.698
  202    HB2  SER  29           HB2      SER  29   2.669   3.496  -0.899
  203    HB3  SER  29           HB3      SER  29   2.003   3.783  -2.516
  204    HG   SER  29           HG       SER  29   3.036   5.783  -2.570
  205    H    CYS  30           H        CYS  30   1.612   3.834   1.293
  206    HA   CYS  30           HA       CYS  30   3.007   6.125   2.393
  207    HB2  CYS  30           HB2      CYS  30   1.658   6.430   4.374
  208    HB3  CYS  30           HB3      CYS  30   0.610   6.614   2.964
  209    H    GLY  31           H        GLY  31   4.481   5.576   4.053
  210    HA2  GLY  31           HA2      GLY  31   5.367   2.866   4.146
  211    HA3  GLY  31           HA3      GLY  31   5.882   4.153   5.239
  212    H    TYR  32           H        TYR  32   5.054   1.190   5.615
  213    HA   TYR  32           HA       TYR  32   3.026   1.576   7.776
  214    HB2  TYR  32           HB2      TYR  32   2.456   0.498   5.336
  215    HB3  TYR  32           HB3      TYR  32   2.989  -0.943   6.172
  216    HD1  TYR  32           HD1      TYR  32   1.299  -2.137   7.390
  217    HD2  TYR  32           HD2      TYR  32   0.772   2.067   6.554
  218    HE1  TYR  32           HE1      TYR  32  -1.037  -2.256   8.241
  219    HE2  TYR  32           HE2      TYR  32  -1.558   1.944   7.420
  220    HH   TYR  32           HH       TYR  32  -2.974  -1.093   8.673
  221    H    PHE  33           H        PHE  33   2.949  -0.403   9.266
  222    HA   PHE  33           HA       PHE  33   5.500  -0.820  10.444
  223    HB2  PHE  33           HB2      PHE  33   3.330  -1.064  11.604
  224    HB3  PHE  33           HB3      PHE  33   2.998  -2.506  10.634
  225    HD1  PHE  33           HD1      PHE  33   5.834  -1.216  12.794
  226    HD2  PHE  33           HD2      PHE  33   3.243  -4.519  11.790
  227    HE1  PHE  33           HE1      PHE  33   6.954  -2.621  14.507
  228    HE2  PHE  33           HE2      PHE  33   4.354  -5.911  13.519
  229    HZ   PHE  33           HZ       PHE  33   6.216  -4.969  14.873
  230    H    LEU  34           H        LEU  34   7.129  -2.090   9.934
  231    HA   LEU  34           HA       LEU  34   8.499  -3.499   8.921
  232    HB2  LEU  34           HB2      LEU  34   6.202  -5.457   8.805
  233    HB3  LEU  34           HB3      LEU  34   7.913  -5.845   8.729
  234    HG   LEU  34           HG       LEU  34   6.517  -4.638  11.152
  235   HD11  LEU  34          HD11      LEU  34   6.758  -6.885  12.102
  236   HD12  LEU  34          HD12      LEU  34   5.767  -6.896  10.629
  237   HD13  LEU  34          HD13      LEU  34   7.451  -7.465  10.564
  238   HD21  LEU  34          HD21      LEU  34   9.336  -5.747  10.821
  239   HD22  LEU  34          HD22      LEU  34   8.901  -4.047  11.122
  240   HD23  LEU  34          HD23      LEU  34   8.580  -5.265  12.359
  241    H    GLY  35           H        GLY  35   6.243  -2.098   7.083
  242    HA2  GLY  35           HA2      GLY  35   7.599  -2.725   4.550
  243    HA3  GLY  35           HA3      GLY  35   6.010  -3.461   4.695
  244    H    ILE  36           H        ILE  36   4.757  -2.377   3.333
  245    HA   ILE  36           HA       ILE  36   4.319   0.534   3.657
  246    HB   ILE  36           HB       ILE  36   6.038   0.656   2.114
  247   HG12  ILE  36          HG12      ILE  36   3.586   0.610   0.324
  248   HG13  ILE  36          HG13      ILE  36   3.904   1.867   1.495
  249   HG21  ILE  36          HG21      ILE  36   6.344  -0.638   0.109
  250   HG22  ILE  36          HG22      ILE  36   6.136  -1.782   1.424
  251   HG23  ILE  36          HG23      ILE  36   4.787  -1.453   0.321
  252   HD11  ILE  36          HD11      ILE  36   5.564   1.188  -0.943
  253   HD12  ILE  36          HD12      ILE  36   4.661   2.678  -0.620
  254   HD13  ILE  36          HD13      ILE  36   6.104   2.321   0.335
  255    H    CYS  37           H        CYS  37   2.412   1.312   2.928
  256    HA   CYS  37           HA       CYS  37   0.226  -0.608   2.285
  257    HB2  CYS  37           HB2      CYS  37  -0.041   0.728   4.281
  258    HB3  CYS  37           HB3      CYS  37   0.425   2.184   3.430
  259    H    CYS  38           H        CYS  38  -0.626  -0.534   0.256
  260    HA   CYS  38           HA       CYS  38  -0.021   1.753  -1.588
  261    HB2  CYS  38           HB2      CYS  38  -0.112  -1.203  -2.211
  262    HB3  CYS  38           HB3      CYS  38   0.185   0.075  -3.375
  263    H    TYR  39           H        TYR  39  -1.818   2.542  -2.636
  264    HA   TYR  39           HA       TYR  39  -4.381   1.066  -2.332
  265    HB2  TYR  39           HB2      TYR  39  -5.490   3.165  -1.584
  266    HB3  TYR  39           HB3      TYR  39  -4.413   2.406  -0.448
  267    HD1  TYR  39           HD1      TYR  39  -2.574   3.537   0.517
  268    HD2  TYR  39           HD2      TYR  39  -4.779   5.313  -2.742
  269    HE1  TYR  39           HE1      TYR  39  -1.530   5.741   1.014
  270    HE2  TYR  39           HE2      TYR  39  -3.732   7.518  -2.240
  271    HH   TYR  39           HH       TYR  39  -1.353   7.949   0.404
  272    HA   PRO  40           HA       PRO  40  -6.790   1.791  -2.713
  273    HB2  PRO  40           HB2      PRO  40  -8.525   0.703  -4.489
  274    HB3  PRO  40           HB3      PRO  40  -8.347   2.470  -4.271
  275    HG2  PRO  40           HG2      PRO  40  -7.010   0.711  -6.367
  276    HG3  PRO  40           HG3      PRO  40  -7.948   2.218  -6.633
  277    HD2  PRO  40           HD2      PRO  40  -5.241   2.261  -6.473
  278    HD3  PRO  40           HD3      PRO  40  -6.226   3.560  -5.742
  279    H    VAL  41           H        VAL  41  -7.702  -0.287  -2.107
  280    HA   VAL  41           HA       VAL  41  -5.901  -2.417  -1.940
  281    HB   VAL  41           HB       VAL  41  -7.768  -1.811  -0.399
  282   HG11  VAL  41          HG11      VAL  41  -9.601  -3.312  -2.300
  283   HG12  VAL  41          HG12      VAL  41 -10.014  -2.612  -0.724
  284   HG13  VAL  41          HG13      VAL  41  -9.596  -1.549  -2.072
  285   HG21  VAL  41          HG21      VAL  41  -6.660  -3.896  -0.034
  286   HG22  VAL  41          HG22      VAL  41  -8.381  -4.096   0.264
  287   HG23  VAL  41          HG23      VAL  41  -7.685  -4.722  -1.243
  288    H    ASP  42           H        ASP  42  -5.707  -4.410  -2.921
  289    HA   ASP  42           HA       ASP  42  -6.125  -4.413  -5.754
  290    HB2  ASP  42           HB2      ASP  42  -4.115  -5.279  -4.590
  291    HB3  ASP  42           HB3      ASP  42  -5.072  -6.612  -3.951
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -6.111 -13.288   3.646
    2    H2   GLY   1           H2       GLY   1  -6.861 -12.107   4.499
    3    H3   GLY   1           H3       GLY   1  -5.621 -12.936   5.170
    4    HA2  GLY   1           HA2      GLY   1  -4.062 -12.036   3.569
    5    HA3  GLY   1           HA3      GLY   1  -5.406 -11.132   2.847
    6    H    THR   2           H        THR   2  -3.667  -9.412   3.378
    7    HA   THR   2           HA       THR   2  -4.272  -8.203   6.054
    8    HB   THR   2           HB       THR   2  -1.575  -8.036   4.672
    9    HG1  THR   2           HG1      THR   2  -1.885 -10.107   5.468
   10   HG21  THR   2          HG21      THR   2  -0.837  -7.170   6.878
   11   HG22  THR   2          HG22      THR   2  -2.060  -6.115   6.164
   12   HG23  THR   2          HG23      THR   2  -2.511  -7.233   7.469
   13    H    THR   3           H        THR   3  -5.137  -6.273   5.933
   14    HA   THR   3           HA       THR   3  -5.065  -4.687   3.412
   15    HB   THR   3           HB       THR   3  -6.994  -4.160   5.653
   16    HG1  THR   3           HG1      THR   3  -7.331  -6.219   3.728
   17   HG21  THR   3          HG21      THR   3  -7.171  -4.039   2.617
   18   HG22  THR   3          HG22      THR   3  -8.552  -3.801   3.702
   19   HG23  THR   3          HG23      THR   3  -7.188  -2.679   3.766
   20    H    CYS   4           H        CYS   4  -5.139  -2.277   3.731
   21    HA   CYS   4           HA       CYS   4  -3.711  -1.336   6.171
   22    HB2  CYS   4           HB2      CYS   4  -1.928  -0.404   5.030
   23    HB3  CYS   4           HB3      CYS   4  -2.103  -1.992   4.317
   24    H    TYR   5           H        TYR   5  -3.694   1.039   6.410
   25    HA   TYR   5           HA       TYR   5  -5.831   2.481   4.922
   26    HB2  TYR   5           HB2      TYR   5  -5.689   2.220   7.950
   27    HB3  TYR   5           HB3      TYR   5  -6.701   3.362   7.089
   28    HD1  TYR   5           HD1      TYR   5  -6.206  -0.226   7.895
   29    HD2  TYR   5           HD2      TYR   5  -8.777   2.702   6.037
   30    HE1  TYR   5           HE1      TYR   5  -8.057  -1.887   7.843
   31    HE2  TYR   5           HE2      TYR   5 -10.640   1.044   6.019
   32    HH   TYR   5           HH       TYR   5 -10.247  -2.282   7.299
   33    H    CYS   6           H        CYS   6  -5.288   4.524   4.436
   34    HA   CYS   6           HA       CYS   6  -3.676   6.104   6.352
   35    HB2  CYS   6           HB2      CYS   6  -2.641   5.168   3.728
   36    HB3  CYS   6           HB3      CYS   6  -2.447   6.890   4.010
   37    H    GLY   7           H        GLY   7  -4.389   8.181   6.510
   38    HA2  GLY   7           HA2      GLY   7  -5.626  10.085   6.104
   39    HA3  GLY   7           HA3      GLY   7  -5.164   9.867   4.412
   40    H    LYS   8           H        LYS   8  -7.269   7.804   6.407
   41    HA   LYS   8           HA       LYS   8  -9.267   6.809   6.027
   42    HB2  LYS   8           HB2      LYS   8 -10.120   9.506   4.940
   43    HB3  LYS   8           HB3      LYS   8 -11.192   8.194   5.438
   44    HG2  LYS   8           HG2      LYS   8 -10.271   8.312   7.750
   45    HG3  LYS   8           HG3      LYS   8  -9.271   9.696   7.267
   46    HD2  LYS   8           HD2      LYS   8 -11.311  10.975   6.675
   47    HD3  LYS   8           HD3      LYS   8 -12.317   9.592   7.164
   48    HE2  LYS   8           HE2      LYS   8 -11.379   9.728   9.463
   49    HE3  LYS   8           HE3      LYS   8 -10.382  11.105   8.978
   50    HZ1  LYS   8           HZ1      LYS   8 -12.433  12.343   8.519
   51    HZ2  LYS   8           HZ2      LYS   8 -13.355  11.069   8.968
   52    HZ3  LYS   8           HZ3      LYS   8 -12.425  11.833  10.068
   53    H    THR   9           H        THR   9  -7.256   6.743   3.843
   54    HA   THR   9           HA       THR   9  -8.970   5.651   1.660
   55    HB   THR   9           HB       THR   9  -6.068   6.558   1.438
   56    HG1  THR   9           HG1      THR   9  -7.481   8.313   1.672
   57   HG21  THR   9          HG21      THR   9  -6.658   4.799  -0.171
   58   HG22  THR   9          HG22      THR   9  -8.128   5.683  -0.640
   59   HG23  THR   9          HG23      THR   9  -6.523   6.359  -0.992
   60    H    ILE  10           H        ILE  10  -9.167   3.573   1.974
   61    HA   ILE  10           HA       ILE  10  -7.250   1.890   3.377
   62    HB   ILE  10           HB       ILE  10  -9.712   1.633   3.474
   63   HG12  ILE  10          HG12      ILE  10  -8.293  -0.829   2.373
   64   HG13  ILE  10          HG13      ILE  10  -8.311  -0.279   4.054
   65   HG21  ILE  10          HG21      ILE  10 -10.072   2.233   1.058
   66   HG22  ILE  10          HG22      ILE  10  -9.507   0.604   0.630
   67   HG23  ILE  10          HG23      ILE  10 -10.987   0.823   1.600
   68   HD11  ILE  10          HD11      ILE  10 -10.857  -0.511   3.992
   69   HD12  ILE  10          HD12      ILE  10 -10.649  -1.350   2.435
   70   HD13  ILE  10          HD13      ILE  10  -9.933  -2.016   3.910
   71    H    GLY  11           H        GLY  11  -5.976   0.242   2.487
   72    HA2  GLY  11           HA2      GLY  11  -5.686   0.002  -0.456
   73    HA3  GLY  11           HA3      GLY  11  -4.288   0.495   0.494
   74    H    ILE  12           H        ILE  12  -3.593  -1.454  -0.680
   75    HA   ILE  12           HA       ILE  12  -4.028  -3.959   0.837
   76    HB   ILE  12           HB       ILE  12  -3.653  -3.355  -1.937
   77   HG12  ILE  12          HG12      ILE  12  -5.168  -4.993  -1.140
   78   HG13  ILE  12          HG13      ILE  12  -4.055  -5.682  -2.313
   79   HG21  ILE  12          HG21      ILE  12  -1.329  -3.323  -1.811
   80   HG22  ILE  12          HG22      ILE  12  -1.247  -4.867  -0.911
   81   HG23  ILE  12          HG23      ILE  12  -1.820  -4.854  -2.573
   82   HD11  ILE  12          HD11      ILE  12  -4.425  -7.293  -0.541
   83   HD12  ILE  12          HD12      ILE  12  -2.740  -6.747  -0.480
   84   HD13  ILE  12          HD13      ILE  12  -3.926  -6.133   0.695
   85    H    TYR  13           H        TYR  13  -2.328  -4.940   1.914
   86    HA   TYR  13           HA       TYR  13  -0.022  -3.170   2.560
   87    HB2  TYR  13           HB2      TYR  13  -1.172  -4.012   4.483
   88    HB3  TYR  13           HB3      TYR  13  -1.127  -5.658   3.863
   89    HD1  TYR  13           HD1      TYR  13   1.206  -2.838   4.768
   90    HD2  TYR  13           HD2      TYR  13   0.600  -7.105   4.512
   91    HE1  TYR  13           HE1      TYR  13   3.458  -3.225   5.770
   92    HE2  TYR  13           HE2      TYR  13   2.834  -7.486   5.520
   93    HH   TYR  13           HH       TYR  13   4.688  -6.544   6.376
   94    H    TRP  14           H        TRP  14   1.939  -3.467   1.829
   95    HA   TRP  14           HA       TRP  14   2.791  -6.103   0.680
   96    HB2  TRP  14           HB2      TRP  14   3.466  -3.262  -0.094
   97    HB3  TRP  14           HB3      TRP  14   4.459  -4.647  -0.558
   98    HD1  TRP  14           HD1      TRP  14   1.240  -2.894  -1.387
   99    HE1  TRP  14           HE1      TRP  14   0.211  -3.905  -3.541
  100    HE3  TRP  14           HE3      TRP  14   4.385  -6.890  -2.008
  101    HZ2  TRP  14           HZ2      TRP  14   0.716  -6.114  -5.291
  102    HZ3  TRP  14           HZ3      TRP  14   4.098  -8.425  -3.942
  103    HH2  TRP  14           HH2      TRP  14   2.268  -8.056  -5.581
  104    H    PHE  15           H        PHE  15   4.598  -7.037   1.469
  105    HA   PHE  15           HA       PHE  15   5.981  -5.770   3.779
  106    HB2  PHE  15           HB2      PHE  15   4.978  -7.906   4.228
  107    HB3  PHE  15           HB3      PHE  15   5.715  -8.624   2.806
  108    HD1  PHE  15           HD1      PHE  15   7.607  -9.965   3.121
  109    HD2  PHE  15           HD2      PHE  15   6.795  -6.822   5.960
  110    HE1  PHE  15           HE1      PHE  15   9.543 -10.693   4.493
  111    HE2  PHE  15           HE2      PHE  15   8.718  -7.553   7.331
  112    HZ   PHE  15           HZ       PHE  15  10.103  -9.492   6.599
  113    H    GLY  16           H        GLY  16   8.140  -5.432   3.869
  114    HA2  GLY  16           HA2      GLY  16  10.350  -5.300   3.389
  115    HA3  GLY  16           HA3      GLY  16  10.123  -6.720   2.379
  116    H    THR  17           H        THR  17   8.313  -5.007   0.565
  117    HA   THR  17           HA       THR  17  10.295  -4.482  -1.386
  118    HB   THR  17           HB       THR  17   8.095  -5.292  -1.910
  119    HG1  THR  17           HG1      THR  17   7.867  -2.881  -3.182
  120   HG21  THR  17          HG21      THR  17   6.118  -3.801  -1.967
  121   HG22  THR  17          HG22      THR  17   6.677  -4.116  -0.315
  122   HG23  THR  17          HG23      THR  17   7.032  -2.562  -1.088
  123    H    LYS  18           H        LYS  18   8.972  -2.276   0.925
  124    HA   LYS  18           HA       LYS  18   9.185  -0.091   1.417
  125    HB2  LYS  18           HB2      LYS  18  11.587  -0.804   1.315
  126    HB3  LYS  18           HB3      LYS  18  11.680  -0.098  -0.303
  127    HG2  LYS  18           HG2      LYS  18  11.129   2.135   0.633
  128    HG3  LYS  18           HG3      LYS  18  10.912   1.415   2.234
  129    HD2  LYS  18           HD2      LYS  18  13.056   2.497   2.149
  130    HD3  LYS  18           HD3      LYS  18  13.320   0.750   2.235
  131    HE2  LYS  18           HE2      LYS  18  13.729   0.685  -0.212
  132    HE3  LYS  18           HE3      LYS  18  13.387   2.417  -0.326
  133    HZ1  LYS  18           HZ1      LYS  18  15.775   1.988  -0.226
  134    HZ2  LYS  18           HZ2      LYS  18  15.322   2.825   1.099
  135    HZ3  LYS  18           HZ3      LYS  18  15.636   1.225   1.209
  136    H    THR  19           H        THR  19   9.124  -0.663  -2.030
  137    HA   THR  19           HA       THR  19   7.500   1.826  -2.342
  138    HB   THR  19           HB       THR  19   9.780   1.905  -3.489
  139    HG1  THR  19           HG1      THR  19   8.365   3.339  -4.189
  140   HG21  THR  19          HG21      THR  19   9.768  -0.433  -4.403
  141   HG22  THR  19          HG22      THR  19   8.413   0.016  -5.464
  142   HG23  THR  19          HG23      THR  19   9.994   0.809  -5.649
  143    H    CYS  20           H        CYS  20   5.907   1.691  -4.119
  144    HA   CYS  20           HA       CYS  20   4.532  -0.900  -3.960
  145    HB2  CYS  20           HB2      CYS  20   3.614   1.801  -4.988
  146    HB3  CYS  20           HB3      CYS  20   2.601   0.361  -4.910
  147    HA   PRO  21           HA       PRO  21   5.714  -1.978  -8.134
  148    HB2  PRO  21           HB2      PRO  21   4.079  -4.121  -8.586
  149    HB3  PRO  21           HB3      PRO  21   5.437  -4.176  -7.417
  150    HG2  PRO  21           HG2      PRO  21   2.505  -3.668  -6.843
  151    HG3  PRO  21           HG3      PRO  21   3.606  -4.789  -5.992
  152    HD2  PRO  21           HD2      PRO  21   3.085  -2.322  -5.009
  153    HD3  PRO  21           HD3      PRO  21   4.703  -3.066  -4.866
  154    H    SER  22           H        SER  22   5.311  -0.739  -9.747
  155    HA   SER  22           HA       SER  22   3.043   0.768 -10.233
  156    HB2  SER  22           HB2      SER  22   5.091  -0.160 -12.287
  157    HB3  SER  22           HB3      SER  22   4.091   1.300 -12.348
  158    HG   SER  22           HG       SER  22   6.209   1.749 -11.592
  159    H    ASN  23           H        ASN  23   3.712  -2.480 -11.441
  160    HA   ASN  23           HA       ASN  23   1.705  -2.484 -13.516
  161    HB2  ASN  23           HB2      ASN  23   3.235  -4.752 -12.169
  162    HB3  ASN  23           HB3      ASN  23   2.238  -4.921 -13.611
  163   HD21  ASN  23          HD21      ASN  23   5.419  -4.472 -12.639
  164   HD22  ASN  23          HD22      ASN  23   6.009  -3.767 -14.134
  165    H    ARG  24           H        ARG  24   1.187  -2.523 -10.194
  166    HA   ARG  24           HA       ARG  24  -1.424  -3.990 -10.420
  167    HB2  ARG  24           HB2      ARG  24   0.285  -3.020  -8.134
  168    HB3  ARG  24           HB3      ARG  24  -1.445  -3.197  -7.904
  169    HG2  ARG  24           HG2      ARG  24  -0.398  -5.145  -7.102
  170    HG3  ARG  24           HG3      ARG  24  -1.351  -5.575  -8.508
  171    HD2  ARG  24           HD2      ARG  24   1.655  -5.097  -8.657
  172    HD3  ARG  24           HD3      ARG  24   0.958  -6.652  -8.177
  173    HE   ARG  24           HE       ARG  24  -0.121  -5.641 -10.691
  174   HH11  ARG  24          HH11      ARG  24   2.512  -7.558  -9.393
  175   HH12  ARG  24          HH12      ARG  24   2.788  -8.355 -10.916
  176   HH21  ARG  24          HH21      ARG  24   0.293  -6.656 -12.579
  177   HH22  ARG  24          HH22      ARG  24   1.534  -7.875 -12.673
  178    H    GLY  25           H        GLY  25  -0.274  -0.829 -10.907
  179    HA2  GLY  25           HA2      GLY  25  -1.486   0.964 -11.682
  180    HA3  GLY  25           HA3      GLY  25  -2.977   0.044 -11.469
  181    H    TYR  26           H        TYR  26  -0.712   0.704  -8.813
  182    HA   TYR  26           HA       TYR  26  -2.761   1.830  -7.154
  183    HB2  TYR  26           HB2      TYR  26   0.263   1.765  -6.872
  184    HB3  TYR  26           HB3      TYR  26  -0.840   2.279  -5.595
  185    HD1  TYR  26           HD1      TYR  26   1.151  -0.390  -6.495
  186    HD2  TYR  26           HD2      TYR  26  -2.944   0.427  -5.363
  187    HE1  TYR  26           HE1      TYR  26   0.881  -2.722  -5.692
  188    HE2  TYR  26           HE2      TYR  26  -3.212  -1.933  -4.648
  189    HH   TYR  26           HH       TYR  26  -2.247  -4.007  -4.591
  190    H    THR  27           H        THR  27  -3.069   3.890  -6.364
  191    HA   THR  27           HA       THR  27  -2.098   6.113  -8.118
  192    HB   THR  27           HB       THR  27  -4.559   5.518  -7.970
  193    HG1  THR  27           HG1      THR  27  -5.107   7.676  -8.086
  194   HG21  THR  27          HG21      THR  27  -4.452   7.089  -5.357
  195   HG22  THR  27          HG22      THR  27  -5.879   6.412  -6.168
  196   HG23  THR  27          HG23      THR  27  -4.676   5.331  -5.448
  197    H    GLY  28           H        GLY  28  -1.769   4.889  -4.917
  198    HA2  GLY  28           HA2      GLY  28   0.186   6.868  -4.246
  199    HA3  GLY  28           HA3      GLY  28  -1.300   7.175  -3.353
  200    H    SER  29           H        SER  29   0.734   6.733  -1.808
  201    HA   SER  29           HA       SER  29   0.410   4.063  -0.625
  202    HB2  SER  29           HB2      SER  29   2.758   3.494  -0.813
  203    HB3  SER  29           HB3      SER  29   2.069   3.770  -2.426
  204    HG   SER  29           HG       SER  29   4.101   4.796  -2.216
  205    H    CYS  30           H        CYS  30   1.686   3.765   1.358
  206    HA   CYS  30           HA       CYS  30   3.085   6.022   2.507
  207    HB2  CYS  30           HB2      CYS  30   1.734   6.375   4.460
  208    HB3  CYS  30           HB3      CYS  30   0.669   6.533   3.060
  209    H    GLY  31           H        GLY  31   4.481   5.450   4.237
  210    HA2  GLY  31           HA2      GLY  31   5.314   2.718   4.361
  211    HA3  GLY  31           HA3      GLY  31   5.814   4.000   5.465
  212    H    TYR  32           H        TYR  32   4.827   1.056   5.775
  213    HA   TYR  32           HA       TYR  32   2.716   1.531   7.844
  214    HB2  TYR  32           HB2      TYR  32   2.118   0.586   5.417
  215    HB3  TYR  32           HB3      TYR  32   2.667  -0.925   6.112
  216    HD1  TYR  32           HD1      TYR  32   0.993  -2.240   7.223
  217    HD2  TYR  32           HD2      TYR  32   0.462   2.033   6.866
  218    HE1  TYR  32           HE1      TYR  32  -1.292  -2.433   8.198
  219    HE2  TYR  32           HE2      TYR  32  -1.790   1.840   7.893
  220    HH   TYR  32           HH       TYR  32  -3.341   0.437   8.846
  221    H    PHE  33           H        PHE  33   2.357  -0.591   9.172
  222    HA   PHE  33           HA       PHE  33   4.705  -1.174  10.665
  223    HB2  PHE  33           HB2      PHE  33   2.417  -1.454  11.505
  224    HB3  PHE  33           HB3      PHE  33   2.148  -2.756  10.337
  225    HD1  PHE  33           HD1      PHE  33   4.671  -1.880  13.024
  226    HD2  PHE  33           HD2      PHE  33   2.200  -4.916  11.206
  227    HE1  PHE  33           HE1      PHE  33   5.472  -3.537  14.692
  228    HE2  PHE  33           HE2      PHE  33   2.989  -6.563  12.888
  229    HZ   PHE  33           HZ       PHE  33   4.630  -5.878  14.629
  230    H    LEU  34           H        LEU  34   6.376  -2.396  10.253
  231    HA   LEU  34           HA       LEU  34   7.870  -3.727   9.340
  232    HB2  LEU  34           HB2      LEU  34   5.623  -5.659   8.753
  233    HB3  LEU  34           HB3      LEU  34   7.330  -6.053   8.875
  234    HG   LEU  34           HG       LEU  34   5.602  -5.047  11.166
  235   HD11  LEU  34          HD11      LEU  34   4.981  -7.270  10.388
  236   HD12  LEU  34          HD12      LEU  34   6.671  -7.812  10.521
  237   HD13  LEU  34          HD13      LEU  34   5.758  -7.350  11.980
  238   HD21  LEU  34          HD21      LEU  34   8.463  -6.088  11.161
  239   HD22  LEU  34          HD22      LEU  34   7.944  -4.424  11.531
  240   HD23  LEU  34          HD23      LEU  34   7.484  -5.746  12.606
  241    H    GLY  35           H        GLY  35   5.808  -2.245   7.280
  242    HA2  GLY  35           HA2      GLY  35   7.444  -2.711   4.888
  243    HA3  GLY  35           HA3      GLY  35   5.886  -3.530   4.846
  244    H    ILE  36           H        ILE  36   4.623  -2.449   3.480
  245    HA   ILE  36           HA       ILE  36   4.210   0.467   3.742
  246    HB   ILE  36           HB       ILE  36   6.001   0.534   2.275
  247   HG12  ILE  36          HG12      ILE  36   3.609   0.489   0.401
  248   HG13  ILE  36          HG13      ILE  36   3.899   1.754   1.568
  249   HG21  ILE  36          HG21      ILE  36   6.197  -1.862   1.640
  250   HG22  ILE  36          HG22      ILE  36   4.792  -1.669   0.569
  251   HG23  ILE  36          HG23      ILE  36   6.301  -0.800   0.244
  252   HD11  ILE  36          HD11      ILE  36   5.637   1.070  -0.810
  253   HD12  ILE  36          HD12      ILE  36   4.691   2.537  -0.534
  254   HD13  ILE  36          HD13      ILE  36   6.105   2.228   0.478
  255    H    CYS  37           H        CYS  37   2.354   1.245   2.977
  256    HA   CYS  37           HA       CYS  37   0.163  -0.645   2.267
  257    HB2  CYS  37           HB2      CYS  37  -0.094   0.743   4.277
  258    HB3  CYS  37           HB3      CYS  37   0.334   2.180   3.366
  259    H    CYS  38           H        CYS  38  -0.630  -0.564   0.216
  260    HA   CYS  38           HA       CYS  38   0.022   1.745  -1.587
  261    HB2  CYS  38           HB2      CYS  38  -0.103  -1.194  -2.286
  262    HB3  CYS  38           HB3      CYS  38   0.253   0.115  -3.400
  263    H    TYR  39           H        TYR  39  -1.762   2.567  -2.640
  264    HA   TYR  39           HA       TYR  39  -4.332   1.091  -2.376
  265    HB2  TYR  39           HB2      TYR  39  -5.433   3.217  -1.669
  266    HB3  TYR  39           HB3      TYR  39  -4.396   2.438  -0.508
  267    HD1  TYR  39           HD1      TYR  39  -2.622   3.569   0.548
  268    HD2  TYR  39           HD2      TYR  39  -4.617   5.326  -2.853
  269    HE1  TYR  39           HE1      TYR  39  -1.562   5.762   1.062
  270    HE2  TYR  39           HE2      TYR  39  -3.569   7.525  -2.323
  271    HH   TYR  39           HH       TYR  39  -1.331   7.962   0.438
  272    HA   PRO  40           HA       PRO  40  -6.739   1.894  -2.788
  273    HB2  PRO  40           HB2      PRO  40  -8.486   0.805  -4.554
  274    HB3  PRO  40           HB3      PRO  40  -8.253   2.570  -4.384
  275    HG2  PRO  40           HG2      PRO  40  -6.949   0.711  -6.412
  276    HG3  PRO  40           HG3      PRO  40  -7.837   2.238  -6.732
  277    HD2  PRO  40           HD2      PRO  40  -5.131   2.197  -6.540
  278    HD3  PRO  40           HD3      PRO  40  -6.079   3.551  -5.860
  279    H    VAL  41           H        VAL  41  -7.706  -0.110  -2.103
  280    HA   VAL  41           HA       VAL  41  -5.992  -2.362  -1.959
  281    HB   VAL  41           HB       VAL  41  -7.645  -1.635  -0.263
  282   HG11  VAL  41          HG11      VAL  41  -9.586  -1.148  -1.745
  283   HG12  VAL  41          HG12      VAL  41  -9.795  -2.894  -1.996
  284   HG13  VAL  41          HG13      VAL  41  -9.980  -2.195  -0.378
  285   HG21  VAL  41          HG21      VAL  41  -7.965  -4.521  -1.147
  286   HG22  VAL  41          HG22      VAL  41  -6.723  -3.848  -0.056
  287   HG23  VAL  41          HG23      VAL  41  -8.414  -3.856   0.434
  288    H    ASP  42           H        ASP  42  -5.945  -4.321  -2.984
  289    HA   ASP  42           HA       ASP  42  -7.309  -4.542  -5.597
  290    HB2  ASP  42           HB2      ASP  42  -4.880  -4.813  -5.496
  291    HB3  ASP  42           HB3      ASP  42  -5.057  -6.162  -4.378
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -5.745 -11.972   0.003
    2    H2   GLY   1           H2       GLY   1  -6.674 -10.936   0.868
    3    H3   GLY   1           H3       GLY   1  -5.966 -12.211   1.609
    4    HA2  GLY   1           HA2      GLY   1  -3.765 -11.317   1.192
    5    HA3  GLY   1           HA3      GLY   1  -4.540  -9.927   0.408
    6    H    THR   2           H        THR   2  -3.387  -8.616   1.971
    7    HA   THR   2           HA       THR   2  -4.666  -8.490   4.685
    8    HB   THR   2           HB       THR   2  -1.748  -7.990   3.992
    9    HG1  THR   2           HG1      THR   2  -1.405  -9.851   5.203
   10   HG21  THR   2          HG21      THR   2  -1.439  -7.893   6.459
   11   HG22  THR   2          HG22      THR   2  -2.469  -6.580   5.885
   12   HG23  THR   2          HG23      THR   2  -3.202  -7.992   6.679
   13    H    THR   3           H        THR   3  -5.648  -6.574   5.075
   14    HA   THR   3           HA       THR   3  -5.438  -4.386   3.203
   15    HB   THR   3           HB       THR   3  -6.953  -3.365   5.232
   16    HG1  THR   3           HG1      THR   3  -6.928  -5.087   6.591
   17   HG21  THR   3          HG21      THR   3  -8.886  -4.280   3.980
   18   HG22  THR   3          HG22      THR   3  -7.637  -3.528   2.964
   19   HG23  THR   3          HG23      THR   3  -7.764  -5.306   3.051
   20    H    CYS   4           H        CYS   4  -5.127  -2.243   3.668
   21    HA   CYS   4           HA       CYS   4  -3.724  -1.499   6.139
   22    HB2  CYS   4           HB2      CYS   4  -1.910  -0.436   5.063
   23    HB3  CYS   4           HB3      CYS   4  -2.047  -2.013   4.319
   24    H    TYR   5           H        TYR   5  -3.658   0.945   6.433
   25    HA   TYR   5           HA       TYR   5  -5.780   2.407   4.943
   26    HB2  TYR   5           HB2      TYR   5  -5.666   2.006   7.951
   27    HB3  TYR   5           HB3      TYR   5  -6.464   3.381   7.223
   28    HD1  TYR   5           HD1      TYR   5  -6.623  -0.303   7.634
   29    HD2  TYR   5           HD2      TYR   5  -8.597   3.232   6.136
   30    HE1  TYR   5           HE1      TYR   5  -8.779  -1.555   7.500
   31    HE2  TYR   5           HE2      TYR   5 -10.748   1.987   6.028
   32    HH   TYR   5           HH       TYR   5 -11.825   0.007   6.437
   33    H    CYS   6           H        CYS   6  -5.269   4.455   4.479
   34    HA   CYS   6           HA       CYS   6  -3.600   6.009   6.359
   35    HB2  CYS   6           HB2      CYS   6  -2.583   5.035   3.768
   36    HB3  CYS   6           HB3      CYS   6  -2.461   6.779   3.926
   37    H    GLY   7           H        GLY   7  -4.309   8.088   6.557
   38    HA2  GLY   7           HA2      GLY   7  -5.570   9.987   6.208
   39    HA3  GLY   7           HA3      GLY   7  -5.167   9.788   4.499
   40    H    LYS   8           H        LYS   8  -7.178   7.658   6.520
   41    HA   LYS   8           HA       LYS   8  -9.172   6.663   6.194
   42    HB2  LYS   8           HB2      LYS   8  -9.772   9.143   6.698
   43    HB3  LYS   8           HB3      LYS   8 -10.314   9.188   5.018
   44    HG2  LYS   8           HG2      LYS   8 -11.885   7.298   5.513
   45    HG3  LYS   8           HG3      LYS   8 -11.285   7.250   7.178
   46    HD2  LYS   8           HD2      LYS   8 -12.058   9.582   7.521
   47    HD3  LYS   8           HD3      LYS   8 -12.686   9.633   5.871
   48    HE2  LYS   8           HE2      LYS   8 -13.588   7.669   8.032
   49    HE3  LYS   8           HE3      LYS   8 -14.402   9.191   7.668
   50    HZ1  LYS   8           HZ1      LYS   8 -14.814   8.368   5.411
   51    HZ2  LYS   8           HZ2      LYS   8 -14.089   6.942   5.753
   52    HZ3  LYS   8           HZ3      LYS   8 -15.468   7.361   6.513
   53    H    THR   9           H        THR   9  -7.233   6.670   3.941
   54    HA   THR   9           HA       THR   9  -8.999   5.597   1.787
   55    HB   THR   9           HB       THR   9  -6.100   6.504   1.521
   56    HG1  THR   9           HG1      THR   9  -7.521   8.250   1.777
   57   HG21  THR   9          HG21      THR   9  -8.182   5.615  -0.528
   58   HG22  THR   9          HG22      THR   9  -6.587   6.306  -0.903
   59   HG23  THR   9          HG23      THR   9  -6.695   4.744  -0.082
   60    H    ILE  10           H        ILE  10  -9.189   3.509   2.065
   61    HA   ILE  10           HA       ILE  10  -7.256   1.820   3.438
   62    HB   ILE  10           HB       ILE  10  -9.702   1.526   3.559
   63   HG12  ILE  10          HG12      ILE  10  -8.232  -0.875   2.395
   64   HG13  ILE  10          HG13      ILE  10  -8.299  -0.369   4.089
   65   HG21  ILE  10          HG21      ILE  10 -11.011   0.748   1.694
   66   HG22  ILE  10          HG22      ILE  10 -10.152   2.208   1.201
   67   HG23  ILE  10          HG23      ILE  10  -9.557   0.623   0.670
   68   HD11  ILE  10          HD11      ILE  10 -10.562  -1.478   2.396
   69   HD12  ILE  10          HD12      ILE  10  -9.847  -2.157   3.868
   70   HD13  ILE  10          HD13      ILE  10 -10.830  -0.687   3.967
   71    H    GLY  11           H        GLY  11  -5.954   0.220   2.536
   72    HA2  GLY  11           HA2      GLY  11  -5.677   0.014  -0.417
   73    HA3  GLY  11           HA3      GLY  11  -4.278   0.474   0.546
   74    H    ILE  12           H        ILE  12  -3.575  -1.430  -0.629
   75    HA   ILE  12           HA       ILE  12  -3.991  -3.981   0.825
   76    HB   ILE  12           HB       ILE  12  -3.608  -3.289  -1.946
   77   HG12  ILE  12          HG12      ILE  12  -5.167  -4.916  -1.207
   78   HG13  ILE  12          HG13      ILE  12  -4.048  -5.582  -2.393
   79   HG21  ILE  12          HG21      ILE  12  -1.292  -3.330  -1.817
   80   HG22  ILE  12          HG22      ILE  12  -1.249  -4.875  -0.918
   81   HG23  ILE  12          HG23      ILE  12  -1.816  -4.851  -2.582
   82   HD11  ILE  12          HD11      ILE  12  -4.415  -7.292  -0.799
   83   HD12  ILE  12          HD12      ILE  12  -2.783  -6.679  -0.472
   84   HD13  ILE  12          HD13      ILE  12  -4.157  -6.199   0.558
   85    H    TYR  13           H        TYR  13  -2.311  -4.924   1.876
   86    HA   TYR  13           HA       TYR  13   0.009  -3.167   2.532
   87    HB2  TYR  13           HB2      TYR  13  -1.183  -4.033   4.437
   88    HB3  TYR  13           HB3      TYR  13  -1.066  -5.675   3.828
   89    HD1  TYR  13           HD1      TYR  13   1.076  -2.774   4.869
   90    HD2  TYR  13           HD2      TYR  13   0.760  -7.055   4.396
   91    HE1  TYR  13           HE1      TYR  13   3.284  -3.065   5.992
   92    HE2  TYR  13           HE2      TYR  13   2.969  -7.338   5.517
   93    HH   TYR  13           HH       TYR  13   4.675  -4.584   6.961
   94    H    TRP  14           H        TRP  14   1.974  -3.466   1.807
   95    HA   TRP  14           HA       TRP  14   2.826  -6.113   0.688
   96    HB2  TRP  14           HB2      TRP  14   3.504  -3.271  -0.072
   97    HB3  TRP  14           HB3      TRP  14   4.504  -4.650  -0.542
   98    HD1  TRP  14           HD1      TRP  14   1.278  -2.894  -1.358
   99    HE1  TRP  14           HE1      TRP  14   0.252  -3.884  -3.519
  100    HE3  TRP  14           HE3      TRP  14   4.411  -6.898  -2.004
  101    HZ2  TRP  14           HZ2      TRP  14   0.742  -6.085  -5.280
  102    HZ3  TRP  14           HZ3      TRP  14   4.111  -8.423  -3.944
  103    HH2  TRP  14           HH2      TRP  14   2.282  -8.036  -5.580
  104    H    PHE  15           H        PHE  15   4.585  -7.069   1.558
  105    HA   PHE  15           HA       PHE  15   5.770  -5.881   4.004
  106    HB2  PHE  15           HB2      PHE  15   4.784  -8.101   4.132
  107    HB3  PHE  15           HB3      PHE  15   5.816  -8.677   2.830
  108    HD1  PHE  15           HD1      PHE  15   8.160  -9.243   3.214
  109    HD2  PHE  15           HD2      PHE  15   5.743  -7.600   6.385
  110    HE1  PHE  15           HE1      PHE  15   9.926  -9.816   4.862
  111    HE2  PHE  15           HE2      PHE  15   7.509  -8.165   8.025
  112    HZ   PHE  15           HZ       PHE  15   9.608  -9.275   7.271
  113    H    GLY  16           H        GLY  16   7.848  -5.293   4.227
  114    HA2  GLY  16           HA2      GLY  16  10.064  -4.943   3.932
  115    HA3  GLY  16           HA3      GLY  16  10.067  -6.456   3.040
  116    H    THR  17           H        THR  17   8.301  -4.967   0.940
  117    HA   THR  17           HA       THR  17  10.439  -4.535  -0.865
  118    HB   THR  17           HB       THR  17   8.297  -5.533  -1.465
  119    HG1  THR  17           HG1      THR  17   9.454  -4.662  -3.141
  120   HG21  THR  17          HG21      THR  17   6.709  -4.220  -0.193
  121   HG22  THR  17          HG22      THR  17   7.125  -2.755  -1.096
  122   HG23  THR  17          HG23      THR  17   6.322  -4.102  -1.920
  123    H    LYS  18           H        LYS  18   8.893  -2.209   1.125
  124    HA   LYS  18           HA       LYS  18   9.090   0.004   1.486
  125    HB2  LYS  18           HB2      LYS  18  11.480  -0.767   1.475
  126    HB3  LYS  18           HB3      LYS  18  11.629  -0.125  -0.163
  127    HG2  LYS  18           HG2      LYS  18  11.167   2.149   0.647
  128    HG3  LYS  18           HG3      LYS  18  10.805   1.528   2.264
  129    HD2  LYS  18           HD2      LYS  18  13.014   2.512   2.245
  130    HD3  LYS  18           HD3      LYS  18  13.154   0.767   2.499
  131    HE2  LYS  18           HE2      LYS  18  13.729   0.461   0.100
  132    HE3  LYS  18           HE3      LYS  18  13.538   2.198  -0.175
  133    HZ1  LYS  18           HZ1      LYS  18  15.559   0.972   1.631
  134    HZ2  LYS  18           HZ2      LYS  18  15.868   1.599   0.157
  135    HZ3  LYS  18           HZ3      LYS  18  15.386   2.577   1.371
  136    H    THR  19           H        THR  19   8.989  -0.804  -1.879
  137    HA   THR  19           HA       THR  19   7.581   1.784  -2.420
  138    HB   THR  19           HB       THR  19   9.835   1.615  -3.531
  139    HG1  THR  19           HG1      THR  19   8.993   2.444  -5.428
  140   HG21  THR  19          HG21      THR  19   8.429  -0.417  -5.332
  141   HG22  THR  19          HG22      THR  19  10.052   0.274  -5.553
  142   HG23  THR  19          HG23      THR  19   9.732  -0.808  -4.187
  143    H    CYS  20           H        CYS  20   5.993   1.627  -4.249
  144    HA   CYS  20           HA       CYS  20   4.451  -0.890  -3.968
  145    HB2  CYS  20           HB2      CYS  20   3.639   1.846  -4.971
  146    HB3  CYS  20           HB3      CYS  20   2.577   0.436  -4.928
  147    HA   PRO  21           HA       PRO  21   5.672  -1.993  -8.129
  148    HB2  PRO  21           HB2      PRO  21   4.044  -4.146  -8.571
  149    HB3  PRO  21           HB3      PRO  21   5.417  -4.190  -7.417
  150    HG2  PRO  21           HG2      PRO  21   2.487  -3.707  -6.816
  151    HG3  PRO  21           HG3      PRO  21   3.606  -4.811  -5.971
  152    HD2  PRO  21           HD2      PRO  21   3.073  -2.353  -4.985
  153    HD3  PRO  21           HD3      PRO  21   4.704  -3.078  -4.861
  154    H    SER  22           H        SER  22   5.262  -0.851  -9.806
  155    HA   SER  22           HA       SER  22   3.029   0.683 -10.359
  156    HB2  SER  22           HB2      SER  22   4.963  -0.473 -12.411
  157    HB3  SER  22           HB3      SER  22   4.042   1.034 -12.520
  158    HG   SER  22           HG       SER  22   6.213   1.409 -11.879
  159    H    ASN  23           H        ASN  23   3.596  -2.658 -11.328
  160    HA   ASN  23           HA       ASN  23   1.652  -2.741 -13.444
  161    HB2  ASN  23           HB2      ASN  23   2.914  -5.047 -11.899
  162    HB3  ASN  23           HB3      ASN  23   2.173  -5.114 -13.499
  163   HD21  ASN  23          HD21      ASN  23   3.255  -3.531 -15.180
  164   HD22  ASN  23          HD22      ASN  23   5.008  -3.489 -15.093
  165    H    ARG  24           H        ARG  24   1.067  -2.643 -10.119
  166    HA   ARG  24           HA       ARG  24  -1.598  -4.012 -10.353
  167    HB2  ARG  24           HB2      ARG  24   0.166  -3.161  -8.066
  168    HB3  ARG  24           HB3      ARG  24  -1.573  -3.205  -7.827
  169    HG2  ARG  24           HG2      ARG  24  -0.680  -5.237  -7.037
  170    HG3  ARG  24           HG3      ARG  24  -1.662  -5.583  -8.447
  171    HD2  ARG  24           HD2      ARG  24   1.376  -5.351  -8.566
  172    HD3  ARG  24           HD3      ARG  24   0.538  -6.849  -8.137
  173    HE   ARG  24           HE       ARG  24  -0.345  -5.624 -10.656
  174   HH11  ARG  24          HH11      ARG  24   1.841  -8.018  -9.319
  175   HH12  ARG  24          HH12      ARG  24   2.029  -8.815 -10.857
  176   HH21  ARG  24          HH21      ARG  24  -0.036  -6.632 -12.548
  177   HH22  ARG  24          HH22      ARG  24   0.958  -8.063 -12.644
  178    H    GLY  25           H        GLY  25  -0.322  -0.931 -10.884
  179    HA2  GLY  25           HA2      GLY  25  -1.450   0.909 -11.672
  180    HA3  GLY  25           HA3      GLY  25  -2.974   0.042 -11.479
  181    H    TYR  26           H        TYR  26  -0.722   0.676  -8.809
  182    HA   TYR  26           HA       TYR  26  -2.755   1.815  -7.156
  183    HB2  TYR  26           HB2      TYR  26   0.270   1.751  -6.905
  184    HB3  TYR  26           HB3      TYR  26  -0.812   2.279  -5.615
  185    HD1  TYR  26           HD1      TYR  26   1.167  -0.398  -6.498
  186    HD2  TYR  26           HD2      TYR  26  -2.931   0.425  -5.370
  187    HE1  TYR  26           HE1      TYR  26   0.896  -2.722  -5.676
  188    HE2  TYR  26           HE2      TYR  26  -3.195  -1.927  -4.636
  189    HH   TYR  26           HH       TYR  26  -2.226  -4.000  -4.566
  190    H    THR  27           H        THR  27  -3.117   3.880  -6.400
  191    HA   THR  27           HA       THR  27  -2.128   6.118  -8.120
  192    HB   THR  27           HB       THR  27  -4.110   7.336  -7.376
  193    HG1  THR  27           HG1      THR  27  -5.667   6.282  -6.170
  194   HG21  THR  27          HG21      THR  27  -4.878   4.567  -8.404
  195   HG22  THR  27          HG22      THR  27  -5.809   6.071  -8.570
  196   HG23  THR  27          HG23      THR  27  -4.258   5.896  -9.409
  197    H    GLY  28           H        GLY  28  -1.826   4.872  -4.920
  198    HA2  GLY  28           HA2      GLY  28   0.078   6.916  -4.229
  199    HA3  GLY  28           HA3      GLY  28  -1.414   7.131  -3.322
  200    H    SER  29           H        SER  29   0.673   6.753  -1.810
  201    HA   SER  29           HA       SER  29   0.435   4.073  -0.650
  202    HB2  SER  29           HB2      SER  29   2.761   3.498  -0.867
  203    HB3  SER  29           HB3      SER  29   2.075   3.787  -2.476
  204    HG   SER  29           HG       SER  29   3.079   5.805  -2.522
  205    H    CYS  30           H        CYS  30   1.701   3.786   1.331
  206    HA   CYS  30           HA       CYS  30   3.119   6.054   2.444
  207    HB2  CYS  30           HB2      CYS  30   1.799   6.426   4.402
  208    HB3  CYS  30           HB3      CYS  30   0.700   6.544   3.027
  209    H    GLY  31           H        GLY  31   4.574   5.490   4.107
  210    HA2  GLY  31           HA2      GLY  31   5.386   2.750   4.257
  211    HA3  GLY  31           HA3      GLY  31   5.941   4.047   5.316
  212    H    TYR  32           H        TYR  32   4.902   1.123   5.703
  213    HA   TYR  32           HA       TYR  32   2.852   1.661   7.814
  214    HB2  TYR  32           HB2      TYR  32   2.141   0.778   5.438
  215    HB3  TYR  32           HB3      TYR  32   2.763  -0.757   6.009
  216    HD1  TYR  32           HD1      TYR  32   1.274  -2.151   7.316
  217    HD2  TYR  32           HD2      TYR  32   0.446   2.060   6.862
  218    HE1  TYR  32           HE1      TYR  32  -0.972  -2.477   8.344
  219    HE2  TYR  32           HE2      TYR  32  -1.773   1.741   7.940
  220    HH   TYR  32           HH       TYR  32  -3.221   0.252   8.929
  221    H    PHE  33           H        PHE  33   2.503  -0.511   9.126
  222    HA   PHE  33           HA       PHE  33   4.851  -1.029  10.620
  223    HB2  PHE  33           HB2      PHE  33   2.535  -1.386  11.400
  224    HB3  PHE  33           HB3      PHE  33   2.376  -2.733  10.265
  225    HD1  PHE  33           HD1      PHE  33   4.770  -1.638  12.989
  226    HD2  PHE  33           HD2      PHE  33   2.502  -4.856  11.221
  227    HE1  PHE  33           HE1      PHE  33   5.599  -3.190  14.741
  228    HE2  PHE  33           HE2      PHE  33   3.317  -6.397  12.987
  229    HZ   PHE  33           HZ       PHE  33   4.872  -5.570  14.745
  230    H    LEU  34           H        LEU  34   6.587  -2.206  10.206
  231    HA   LEU  34           HA       LEU  34   8.109  -3.507   9.268
  232    HB2  LEU  34           HB2      LEU  34   5.911  -5.534   8.835
  233    HB3  LEU  34           HB3      LEU  34   7.633  -5.862   8.966
  234    HG   LEU  34           HG       LEU  34   5.889  -4.788  11.223
  235   HD11  LEU  34          HD11      LEU  34   5.315  -7.056  10.539
  236   HD12  LEU  34          HD12      LEU  34   7.017  -7.554  10.685
  237   HD13  LEU  34          HD13      LEU  34   6.101  -7.053  12.130
  238   HD21  LEU  34          HD21      LEU  34   8.231  -4.101  11.516
  239   HD22  LEU  34          HD22      LEU  34   7.801  -5.368  12.670
  240   HD23  LEU  34          HD23      LEU  34   8.772  -5.774  11.235
  241    H    GLY  35           H        GLY  35   6.044  -2.101   7.252
  242    HA2  GLY  35           HA2      GLY  35   7.494  -2.707   4.779
  243    HA3  GLY  35           HA3      GLY  35   5.920  -3.493   4.867
  244    H    ILE  36           H        ILE  36   4.665  -2.427   3.460
  245    HA   ILE  36           HA       ILE  36   4.265   0.492   3.701
  246    HB   ILE  36           HB       ILE  36   6.042   0.533   2.212
  247   HG12  ILE  36          HG12      ILE  36   3.632   0.500   0.361
  248   HG13  ILE  36          HG13      ILE  36   3.925   1.760   1.533
  249   HG21  ILE  36          HG21      ILE  36   6.198  -1.872   1.582
  250   HG22  ILE  36          HG22      ILE  36   4.783  -1.654   0.528
  251   HG23  ILE  36          HG23      ILE  36   6.299  -0.815   0.178
  252   HD11  ILE  36          HD11      ILE  36   6.134   2.236   0.439
  253   HD12  ILE  36          HD12      ILE  36   5.664   1.082  -0.846
  254   HD13  ILE  36          HD13      ILE  36   4.720   2.552  -0.571
  255    H    CYS  37           H        CYS  37   2.392   1.259   2.982
  256    HA   CYS  37           HA       CYS  37   0.198  -0.638   2.292
  257    HB2  CYS  37           HB2      CYS  37  -0.051   0.735   4.305
  258    HB3  CYS  37           HB3      CYS  37   0.366   2.182   3.403
  259    H    CYS  38           H        CYS  38  -0.591  -0.564   0.239
  260    HA   CYS  38           HA       CYS  38   0.045   1.741  -1.573
  261    HB2  CYS  38           HB2      CYS  38  -0.089  -1.202  -2.248
  262    HB3  CYS  38           HB3      CYS  38   0.246   0.095  -3.381
  263    H    TYR  39           H        TYR  39  -1.745   2.561  -2.625
  264    HA   TYR  39           HA       TYR  39  -4.308   1.078  -2.378
  265    HB2  TYR  39           HB2      TYR  39  -5.424   3.199  -1.666
  266    HB3  TYR  39           HB3      TYR  39  -4.405   2.405  -0.501
  267    HD1  TYR  39           HD1      TYR  39  -2.588   3.498   0.549
  268    HD2  TYR  39           HD2      TYR  39  -4.628   5.335  -2.784
  269    HE1  TYR  39           HE1      TYR  39  -1.550   5.694   1.120
  270    HE2  TYR  39           HE2      TYR  39  -3.619   7.530  -2.188
  271    HH   TYR  39           HH       TYR  39  -2.242   8.672  -0.751
  272    HA   PRO  40           HA       PRO  40  -6.736   1.932  -2.821
  273    HB2  PRO  40           HB2      PRO  40  -8.441   0.827  -4.626
  274    HB3  PRO  40           HB3      PRO  40  -8.220   2.592  -4.447
  275    HG2  PRO  40           HG2      PRO  40  -6.858   0.745  -6.447
  276    HG3  PRO  40           HG3      PRO  40  -7.748   2.268  -6.785
  277    HD2  PRO  40           HD2      PRO  40  -5.051   2.261  -6.536
  278    HD3  PRO  40           HD3      PRO  40  -6.026   3.589  -5.844
  279    H    VAL  41           H        VAL  41  -7.711  -0.050  -2.120
  280    HA   VAL  41           HA       VAL  41  -6.000  -2.315  -1.947
  281    HB   VAL  41           HB       VAL  41  -7.616  -1.569  -0.233
  282   HG11  VAL  41          HG11      VAL  41  -9.961  -2.092  -0.309
  283   HG12  VAL  41          HG12      VAL  41  -9.570  -1.045  -1.679
  284   HG13  VAL  41          HG13      VAL  41  -9.815  -2.787  -1.933
  285   HG21  VAL  41          HG21      VAL  41  -6.728  -3.816  -0.061
  286   HG22  VAL  41          HG22      VAL  41  -8.399  -3.767   0.495
  287   HG23  VAL  41          HG23      VAL  41  -8.032  -4.448  -1.100
  288    H    ASP  42           H        ASP  42  -5.956  -4.279  -2.969
  289    HA   ASP  42           HA       ASP  42  -7.230  -4.521  -5.585
  290    HB2  ASP  42           HB2      ASP  42  -4.898  -5.191  -5.212
  291    HB3  ASP  42           HB3      ASP  42  -5.423  -6.428  -4.072
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -5.607 -12.575   1.463
    2    H2   GLY   1           H2       GLY   1  -6.563 -11.860   2.585
    3    H3   GLY   1           H3       GLY   1  -5.030 -12.297   2.970
    4    HA2  GLY   1           HA2      GLY   1  -4.112 -10.682   1.438
    5    HA3  GLY   1           HA3      GLY   1  -5.768 -10.228   0.998
    6    H    THR   2           H        THR   2  -3.216  -9.169   2.731
    7    HA   THR   2           HA       THR   2  -4.631  -8.301   5.176
    8    HB   THR   2           HB       THR   2  -1.758  -7.841   4.309
    9    HG1  THR   2           HG1      THR   2  -1.345  -9.574   5.691
   10   HG21  THR   2          HG21      THR   2  -3.115  -7.621   7.040
   11   HG22  THR   2          HG22      THR   2  -1.366  -7.496   6.741
   12   HG23  THR   2          HG23      THR   2  -2.457  -6.271   6.089
   13    H    THR   3           H        THR   3  -5.748  -6.427   5.252
   14    HA   THR   3           HA       THR   3  -5.507  -4.364   3.244
   15    HB   THR   3           HB       THR   3  -7.047  -3.247   5.223
   16    HG1  THR   3           HG1      THR   3  -8.322  -4.892   6.072
   17   HG21  THR   3          HG21      THR   3  -7.706  -3.471   2.947
   18   HG22  THR   3          HG22      THR   3  -7.837  -5.245   3.082
   19   HG23  THR   3          HG23      THR   3  -8.974  -4.189   3.960
   20    H    CYS   4           H        CYS   4  -5.261  -2.153   3.676
   21    HA   CYS   4           HA       CYS   4  -3.825  -1.373   6.114
   22    HB2  CYS   4           HB2      CYS   4  -2.044  -0.284   5.013
   23    HB3  CYS   4           HB3      CYS   4  -2.149  -1.869   4.257
   24    H    TYR   5           H        TYR   5  -3.734   1.076   6.364
   25    HA   TYR   5           HA       TYR   5  -5.942   2.498   4.965
   26    HB2  TYR   5           HB2      TYR   5  -5.607   2.232   7.974
   27    HB3  TYR   5           HB3      TYR   5  -6.683   3.382   7.182
   28    HD1  TYR   5           HD1      TYR   5  -6.141  -0.187   8.003
   29    HD2  TYR   5           HD2      TYR   5  -8.787   2.681   6.160
   30    HE1  TYR   5           HE1      TYR   5  -7.975  -1.877   8.000
   31    HE2  TYR   5           HE2      TYR   5 -10.626   1.004   6.193
   32    HH   TYR   5           HH       TYR   5 -11.253  -1.128   6.765
   33    H    CYS   6           H        CYS   6  -5.431   4.539   4.436
   34    HA   CYS   6           HA       CYS   6  -3.759   6.137   6.279
   35    HB2  CYS   6           HB2      CYS   6  -2.745   5.132   3.695
   36    HB3  CYS   6           HB3      CYS   6  -2.628   6.877   3.836
   37    H    GLY   7           H        GLY   7  -4.474   8.210   6.448
   38    HA2  GLY   7           HA2      GLY   7  -5.711  10.115   6.062
   39    HA3  GLY   7           HA3      GLY   7  -5.301   9.883   4.359
   40    H    LYS   8           H        LYS   8  -7.338   7.781   6.370
   41    HA   LYS   8           HA       LYS   8  -9.366   6.830   6.067
   42    HB2  LYS   8           HB2      LYS   8 -10.274   9.485   4.927
   43    HB3  LYS   8           HB3      LYS   8 -11.300   8.184   5.534
   44    HG2  LYS   8           HG2      LYS   8 -10.270   8.440   7.796
   45    HG3  LYS   8           HG3      LYS   8  -9.343   9.830   7.191
   46    HD2  LYS   8           HD2      LYS   8 -11.488  10.953   6.566
   47    HD3  LYS   8           HD3      LYS   8 -12.391   9.617   7.287
   48    HE2  LYS   8           HE2      LYS   8 -10.415  11.420   8.764
   49    HE3  LYS   8           HE3      LYS   8 -12.165  11.645   8.750
   50    HZ1  LYS   8           HZ1      LYS   8 -10.769   9.272   9.864
   51    HZ2  LYS   8           HZ2      LYS   8 -11.483  10.451  10.730
   52    HZ3  LYS   8           HZ3      LYS   8 -12.396   9.461   9.811
   53    H    THR   9           H        THR   9  -7.390   6.742   3.847
   54    HA   THR   9           HA       THR   9  -9.154   5.619   1.717
   55    HB   THR   9           HB       THR   9  -6.272   6.566   1.434
   56    HG1  THR   9           HG1      THR   9  -7.197   8.213   0.235
   57   HG21  THR   9          HG21      THR   9  -6.803   4.732  -0.113
   58   HG22  THR   9          HG22      THR   9  -8.309   5.542  -0.600
   59   HG23  THR   9          HG23      THR   9  -6.731   6.262  -0.993
   60    H    ILE  10           H        ILE  10  -9.344   3.545   2.041
   61    HA   ILE  10           HA       ILE  10  -7.391   1.883   3.412
   62    HB   ILE  10           HB       ILE  10  -9.819   1.589   3.626
   63   HG12  ILE  10          HG12      ILE  10  -8.445  -0.847   2.415
   64   HG13  ILE  10          HG13      ILE  10  -8.382  -0.316   4.101
   65   HG21  ILE  10          HG21      ILE  10 -10.368   2.236   1.279
   66   HG22  ILE  10          HG22      ILE  10  -9.782   0.649   0.740
   67   HG23  ILE  10          HG23      ILE  10 -11.199   0.777   1.814
   68   HD11  ILE  10          HD11      ILE  10  -9.966  -2.087   4.004
   69   HD12  ILE  10          HD12      ILE  10 -10.909  -0.599   4.187
   70   HD13  ILE  10          HD13      ILE  10 -10.791  -1.394   2.599
   71    H    GLY  11           H        GLY  11  -6.139   0.229   2.522
   72    HA2  GLY  11           HA2      GLY  11  -5.924  -0.078  -0.421
   73    HA3  GLY  11           HA3      GLY  11  -4.507   0.454   0.478
   74    H    ILE  12           H        ILE  12  -3.671  -1.436  -0.531
   75    HA   ILE  12           HA       ILE  12  -4.075  -3.967   0.965
   76    HB   ILE  12           HB       ILE  12  -3.715  -3.343  -1.819
   77   HG12  ILE  12          HG12      ILE  12  -5.239  -4.972  -1.028
   78   HG13  ILE  12          HG13      ILE  12  -4.124  -5.657  -2.205
   79   HG21  ILE  12          HG21      ILE  12  -1.888  -4.890  -2.427
   80   HG22  ILE  12          HG22      ILE  12  -1.394  -3.339  -1.702
   81   HG23  ILE  12          HG23      ILE  12  -1.326  -4.869  -0.769
   82   HD11  ILE  12          HD11      ILE  12  -2.824  -6.688  -0.276
   83   HD12  ILE  12          HD12      ILE  12  -4.176  -6.180   0.770
   84   HD13  ILE  12          HD13      ILE  12  -4.461  -7.320  -0.541
   85    H    TYR  13           H        TYR  13  -2.356  -4.890   2.022
   86    HA   TYR  13           HA       TYR  13  -0.038  -3.086   2.602
   87    HB2  TYR  13           HB2      TYR  13  -1.223  -3.872   4.555
   88    HB3  TYR  13           HB3      TYR  13  -1.101  -5.536   4.010
   89    HD1  TYR  13           HD1      TYR  13   1.095  -2.605   4.937
   90    HD2  TYR  13           HD2      TYR  13   0.641  -6.896   4.745
   91    HE1  TYR  13           HE1      TYR  13   3.207  -2.897   6.236
   92    HE2  TYR  13           HE2      TYR  13   2.741  -7.173   6.048
   93    HH   TYR  13           HH       TYR  13   4.551  -4.401   7.358
   94    H    TRP  14           H        TRP  14   1.911  -3.436   1.853
   95    HA   TRP  14           HA       TRP  14   2.643  -6.094   0.657
   96    HB2  TRP  14           HB2      TRP  14   3.419  -3.261  -0.022
   97    HB3  TRP  14           HB3      TRP  14   4.401  -4.631  -0.517
   98    HD1  TRP  14           HD1      TRP  14   1.167  -2.878  -1.321
   99    HE1  TRP  14           HE1      TRP  14   0.121  -3.883  -3.457
  100    HE3  TRP  14           HE3      TRP  14   4.288  -6.893  -1.969
  101    HZ2  TRP  14           HZ2      TRP  14   0.545  -6.126  -5.171
  102    HZ3  TRP  14           HZ3      TRP  14   3.931  -8.458  -3.868
  103    HH2  TRP  14           HH2      TRP  14   2.065  -8.096  -5.465
  104    H    PHE  15           H        PHE  15   3.909  -7.261   1.892
  105    HA   PHE  15           HA       PHE  15   5.471  -6.115   4.111
  106    HB2  PHE  15           HB2      PHE  15   4.121  -8.129   4.446
  107    HB3  PHE  15           HB3      PHE  15   4.969  -8.954   3.150
  108    HD1  PHE  15           HD1      PHE  15   7.072 -10.060   3.532
  109    HD2  PHE  15           HD2      PHE  15   5.386  -7.507   6.570
  110    HE1  PHE  15           HE1      PHE  15   8.773 -10.862   5.155
  111    HE2  PHE  15           HE2      PHE  15   7.083  -8.310   8.187
  112    HZ   PHE  15           HZ       PHE  15   8.785  -9.987   7.484
  113    H    GLY  16           H        GLY  16   7.707  -6.119   4.303
  114    HA2  GLY  16           HA2      GLY  16   9.918  -6.401   3.793
  115    HA3  GLY  16           HA3      GLY  16   9.439  -7.762   2.777
  116    H    THR  17           H        THR  17   8.234  -4.569   1.968
  117    HA   THR  17           HA       THR  17  10.370  -4.047   0.009
  118    HB   THR  17           HB       THR  17   8.487  -5.162  -1.251
  119    HG1  THR  17           HG1      THR  17   8.463  -3.498  -2.800
  120   HG21  THR  17          HG21      THR  17   6.444  -4.079  -1.662
  121   HG22  THR  17          HG22      THR  17   6.603  -4.180   0.105
  122   HG23  THR  17          HG23      THR  17   6.922  -2.647  -0.741
  123    H    LYS  18           H        LYS  18  10.391  -1.888  -0.671
  124    HA   LYS  18           HA       LYS  18   9.472   0.103   1.390
  125    HB2  LYS  18           HB2      LYS  18  11.885   0.153  -0.466
  126    HB3  LYS  18           HB3      LYS  18  11.412   1.458   0.628
  127    HG2  LYS  18           HG2      LYS  18  11.597  -0.125   2.563
  128    HG3  LYS  18           HG3      LYS  18  12.214  -1.366   1.465
  129    HD2  LYS  18           HD2      LYS  18  13.525   1.340   1.985
  130    HD3  LYS  18           HD3      LYS  18  14.000  -0.194   2.729
  131    HE2  LYS  18           HE2      LYS  18  14.492  -1.132   0.470
  132    HE3  LYS  18           HE3      LYS  18  14.076   0.425  -0.259
  133    HZ1  LYS  18           HZ1      LYS  18  15.900   1.431   1.008
  134    HZ2  LYS  18           HZ2      LYS  18  16.286  -0.008   1.680
  135    HZ3  LYS  18           HZ3      LYS  18  16.470   0.222   0.075
  136    H    THR  19           H        THR  19   8.867  -0.828  -1.777
  137    HA   THR  19           HA       THR  19   7.475   1.734  -2.366
  138    HB   THR  19           HB       THR  19   9.710   1.645  -3.543
  139    HG1  THR  19           HG1      THR  19   8.783   2.449  -5.412
  140   HG21  THR  19          HG21      THR  19   9.658  -0.779  -4.205
  141   HG22  THR  19          HG22      THR  19   8.314  -0.420  -5.312
  142   HG23  THR  19          HG23      THR  19   9.909   0.319  -5.573
  143    H    CYS  20           H        CYS  20   5.846   1.542  -4.077
  144    HA   CYS  20           HA       CYS  20   4.379  -1.014  -3.863
  145    HB2  CYS  20           HB2      CYS  20   3.573   1.674  -5.018
  146    HB3  CYS  20           HB3      CYS  20   2.527   0.258  -4.917
  147    HA   PRO  21           HA       PRO  21   5.715  -2.211  -7.991
  148    HB2  PRO  21           HB2      PRO  21   3.883  -4.181  -8.524
  149    HB3  PRO  21           HB3      PRO  21   5.243  -4.380  -7.378
  150    HG2  PRO  21           HG2      PRO  21   2.371  -3.667  -6.749
  151    HG3  PRO  21           HG3      PRO  21   3.394  -4.887  -5.940
  152    HD2  PRO  21           HD2      PRO  21   3.058  -2.429  -4.892
  153    HD3  PRO  21           HD3      PRO  21   4.635  -3.271  -4.783
  154    H    SER  22           H        SER  22   5.374  -0.546  -9.371
  155    HA   SER  22           HA       SER  22   3.022   0.943  -9.610
  156    HB2  SER  22           HB2      SER  22   5.382   1.608 -10.199
  157    HB3  SER  22           HB3      SER  22   5.196   0.738 -11.730
  158    HG   SER  22           HG       SER  22   3.496   2.166 -12.266
  159    H    ASN  23           H        ASN  23   3.981  -1.857 -11.541
  160    HA   ASN  23           HA       ASN  23   1.998  -1.555 -13.614
  161    HB2  ASN  23           HB2      ASN  23   3.601  -3.969 -12.664
  162    HB3  ASN  23           HB3      ASN  23   2.594  -3.948 -14.106
  163   HD21  ASN  23          HD21      ASN  23   5.762  -3.392 -13.016
  164   HD22  ASN  23          HD22      ASN  23   6.302  -2.484 -14.419
  165    H    ARG  24           H        ARG  24   1.530  -2.357 -10.336
  166    HA   ARG  24           HA       ARG  24  -0.824  -4.073 -10.729
  167    HB2  ARG  24           HB2      ARG  24   0.928  -3.945  -8.729
  168    HB3  ARG  24           HB3      ARG  24  -0.112  -2.641  -8.179
  169    HG2  ARG  24           HG2      ARG  24  -1.259  -4.291  -7.131
  170    HG3  ARG  24           HG3      ARG  24  -1.988  -4.615  -8.697
  171    HD2  ARG  24           HD2      ARG  24  -0.178  -6.293  -9.140
  172    HD3  ARG  24           HD3      ARG  24   0.485  -5.961  -7.531
  173    HE   ARG  24           HE       ARG  24  -2.285  -6.611  -7.239
  174   HH11  ARG  24          HH11      ARG  24   0.652  -8.361  -8.065
  175   HH12  ARG  24          HH12      ARG  24   0.004  -9.849  -7.425
  176   HH21  ARG  24          HH21      ARG  24  -3.003  -8.379  -6.523
  177   HH22  ARG  24          HH22      ARG  24  -2.073  -9.884  -6.542
  178    H    GLY  25           H        GLY  25  -0.308  -0.723 -10.998
  179    HA2  GLY  25           HA2      GLY  25  -1.856   0.827 -11.738
  180    HA3  GLY  25           HA3      GLY  25  -3.176  -0.278 -11.368
  181    H    TYR  26           H        TYR  26  -0.855   0.572  -8.837
  182    HA   TYR  26           HA       TYR  26  -2.912   1.698  -7.163
  183    HB2  TYR  26           HB2      TYR  26   0.116   1.693  -6.879
  184    HB3  TYR  26           HB3      TYR  26  -1.001   2.225  -5.627
  185    HD1  TYR  26           HD1      TYR  26   1.014  -0.463  -6.456
  186    HD2  TYR  26           HD2      TYR  26  -3.074   0.385  -5.316
  187    HE1  TYR  26           HE1      TYR  26   0.749  -2.772  -5.576
  188    HE2  TYR  26           HE2      TYR  26  -3.329  -1.948  -4.511
  189    HH   TYR  26           HH       TYR  26  -2.366  -4.000  -4.370
  190    H    THR  27           H        THR  27  -3.180   3.779  -6.365
  191    HA   THR  27           HA       THR  27  -2.240   5.977  -8.172
  192    HB   THR  27           HB       THR  27  -4.709   5.380  -8.037
  193    HG1  THR  27           HG1      THR  27  -3.832   8.016  -7.483
  194   HG21  THR  27          HG21      THR  27  -4.640   7.020  -5.467
  195   HG22  THR  27          HG22      THR  27  -6.047   6.312  -6.283
  196   HG23  THR  27          HG23      THR  27  -4.849   5.262  -5.510
  197    H    GLY  28           H        GLY  28  -1.897   4.798  -4.967
  198    HA2  GLY  28           HA2      GLY  28  -0.044   6.873  -4.273
  199    HA3  GLY  28           HA3      GLY  28  -1.557   7.099  -3.402
  200    H    SER  29           H        SER  29   0.569   6.735  -1.886
  201    HA   SER  29           HA       SER  29   0.291   4.081  -0.662
  202    HB2  SER  29           HB2      SER  29   2.638   3.517  -0.890
  203    HB3  SER  29           HB3      SER  29   1.910   3.758  -2.491
  204    HG   SER  29           HG       SER  29   3.942   4.795  -2.349
  205    H    CYS  30           H        CYS  30   1.544   3.821   1.321
  206    HA   CYS  30           HA       CYS  30   2.974   6.104   2.400
  207    HB2  CYS  30           HB2      CYS  30   1.670   6.472   4.368
  208    HB3  CYS  30           HB3      CYS  30   0.586   6.606   2.983
  209    H    GLY  31           H        GLY  31   4.547   5.509   3.914
  210    HA2  GLY  31           HA2      GLY  31   5.253   2.725   4.022
  211    HA3  GLY  31           HA3      GLY  31   6.049   4.030   4.895
  212    H    TYR  32           H        TYR  32   4.944   1.187   5.604
  213    HA   TYR  32           HA       TYR  32   3.632   1.981   8.156
  214    HB2  TYR  32           HB2      TYR  32   2.463   0.560   6.058
  215    HB3  TYR  32           HB3      TYR  32   2.982  -0.718   7.120
  216    HD1  TYR  32           HD1      TYR  32   2.416   1.191   9.757
  217    HD2  TYR  32           HD2      TYR  32   0.182  -0.065   6.284
  218    HE1  TYR  32           HE1      TYR  32   0.307   1.521  10.998
  219    HE2  TYR  32           HE2      TYR  32  -1.957   0.321   7.541
  220    HH   TYR  32           HH       TYR  32  -1.981   1.438  10.935
  221    H    PHE  33           H        PHE  33   3.641  -0.483   9.438
  222    HA   PHE  33           HA       PHE  33   6.420  -0.774  10.281
  223    HB2  PHE  33           HB2      PHE  33   4.472  -0.927  11.809
  224    HB3  PHE  33           HB3      PHE  33   3.919  -2.353  10.929
  225    HD1  PHE  33           HD1      PHE  33   7.168  -1.206  12.512
  226    HD2  PHE  33           HD2      PHE  33   4.219  -4.334  12.116
  227    HE1  PHE  33           HE1      PHE  33   8.468  -2.636  14.070
  228    HE2  PHE  33           HE2      PHE  33   5.512  -5.747  13.692
  229    HZ   PHE  33           HZ       PHE  33   7.641  -4.905  14.666
  230    H    LEU  34           H        LEU  34   7.864  -2.255   9.607
  231    HA   LEU  34           HA       LEU  34   8.941  -3.749   8.344
  232    HB2  LEU  34           HB2      LEU  34   6.518  -5.495   8.812
  233    HB3  LEU  34           HB3      LEU  34   8.140  -6.048   8.408
  234    HG   LEU  34           HG       LEU  34   7.381  -4.611  10.980
  235   HD11  LEU  34          HD11      LEU  34   7.670  -6.810  12.009
  236   HD12  LEU  34          HD12      LEU  34   6.408  -6.843  10.762
  237   HD13  LEU  34          HD13      LEU  34   8.015  -7.525  10.413
  238   HD21  LEU  34          HD21      LEU  34   9.605  -5.337  11.779
  239   HD22  LEU  34          HD22      LEU  34   9.997  -5.931  10.148
  240   HD23  LEU  34          HD23      LEU  34   9.735  -4.194  10.441
  241    H    GLY  35           H        GLY  35   6.551  -2.251   6.906
  242    HA2  GLY  35           HA2      GLY  35   7.210  -3.025   4.173
  243    HA3  GLY  35           HA3      GLY  35   5.664  -3.672   4.727
  244    H    ILE  36           H        ILE  36   4.568  -2.483   3.182
  245    HA   ILE  36           HA       ILE  36   4.172   0.419   3.691
  246    HB   ILE  36           HB       ILE  36   5.900   0.536   2.154
  247   HG12  ILE  36          HG12      ILE  36   3.461   0.624   0.335
  248   HG13  ILE  36          HG13      ILE  36   3.819   1.832   1.547
  249   HG21  ILE  36          HG21      ILE  36   4.597  -1.494   0.312
  250   HG22  ILE  36          HG22      ILE  36   6.175  -0.711   0.113
  251   HG23  ILE  36          HG23      ILE  36   5.945  -1.871   1.407
  252   HD11  ILE  36          HD11      ILE  36   6.067   2.195   0.386
  253   HD12  ILE  36          HD12      ILE  36   5.442   1.143  -0.917
  254   HD13  ILE  36          HD13      ILE  36   4.633   2.671  -0.540
  255    H    CYS  37           H        CYS  37   2.289   1.284   2.999
  256    HA   CYS  37           HA       CYS  37   0.084  -0.575   2.285
  257    HB2  CYS  37           HB2      CYS  37  -0.160   0.820   4.283
  258    HB3  CYS  37           HB3      CYS  37   0.303   2.246   3.389
  259    H    CYS  38           H        CYS  38  -0.734  -0.517   0.267
  260    HA   CYS  38           HA       CYS  38  -0.114   1.750  -1.594
  261    HB2  CYS  38           HB2      CYS  38  -0.224  -1.202  -2.224
  262    HB3  CYS  38           HB3      CYS  38   0.117   0.083  -3.370
  263    H    TYR  39           H        TYR  39  -1.913   2.531  -2.652
  264    HA   TYR  39           HA       TYR  39  -4.470   1.042  -2.367
  265    HB2  TYR  39           HB2      TYR  39  -5.586   3.169  -1.662
  266    HB3  TYR  39           HB3      TYR  39  -4.560   2.384  -0.500
  267    HD1  TYR  39           HD1      TYR  39  -2.741   3.478   0.536
  268    HD2  TYR  39           HD2      TYR  39  -4.791   5.302  -2.793
  269    HE1  TYR  39           HE1      TYR  39  -1.687   5.671   1.086
  270    HE2  TYR  39           HE2      TYR  39  -3.758   7.496  -2.226
  271    HH   TYR  39           HH       TYR  39  -2.369   8.639  -0.804
  272    HA   PRO  40           HA       PRO  40  -6.909   1.845  -2.794
  273    HB2  PRO  40           HB2      PRO  40  -8.613   0.727  -4.588
  274    HB3  PRO  40           HB3      PRO  40  -8.412   2.498  -4.418
  275    HG2  PRO  40           HG2      PRO  40  -7.034   0.659  -6.417
  276    HG3  PRO  40           HG3      PRO  40  -7.954   2.164  -6.758
  277    HD2  PRO  40           HD2      PRO  40  -5.257   2.208  -6.523
  278    HD3  PRO  40           HD3      PRO  40  -6.254   3.521  -5.836
  279    H    VAL  41           H        VAL  41  -7.889  -0.198  -2.160
  280    HA   VAL  41           HA       VAL  41  -6.100  -2.367  -1.906
  281    HB   VAL  41           HB       VAL  41  -7.909  -1.710  -0.339
  282   HG11  VAL  41          HG11      VAL  41 -10.195  -2.424  -0.621
  283   HG12  VAL  41          HG12      VAL  41  -9.761  -1.361  -1.966
  284   HG13  VAL  41          HG13      VAL  41  -9.842  -3.118  -2.214
  285   HG21  VAL  41          HG21      VAL  41  -8.587  -3.954   0.357
  286   HG22  VAL  41          HG22      VAL  41  -8.016  -4.625  -1.182
  287   HG23  VAL  41          HG23      VAL  41  -6.875  -3.868  -0.036
  288    H    ASP  42           H        ASP  42  -5.990  -4.395  -2.806
  289    HA   ASP  42           HA       ASP  42  -7.259  -4.788  -5.483
  290    HB2  ASP  42           HB2      ASP  42  -4.959  -4.036  -5.689
  291    HB3  ASP  42           HB3      ASP  42  -4.406  -5.289  -4.585
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -5.234 -11.737  -0.146
    2    H2   GLY   1           H2       GLY   1  -6.178 -10.655   0.643
    3    H3   GLY   1           H3       GLY   1  -5.724 -12.041   1.388
    4    HA2  GLY   1           HA2      GLY   1  -3.406 -11.370   1.360
    5    HA3  GLY   1           HA3      GLY   1  -3.909  -9.861   0.580
    6    H    THR   2           H        THR   2  -3.233  -8.482   2.215
    7    HA   THR   2           HA       THR   2  -4.760  -8.536   4.792
    8    HB   THR   2           HB       THR   2  -1.797  -7.914   4.483
    9    HG1  THR   2           HG1      THR   2  -3.102 -10.129   5.688
   10   HG21  THR   2          HG21      THR   2  -2.742  -6.647   6.343
   11   HG22  THR   2          HG22      THR   2  -3.564  -8.096   6.963
   12   HG23  THR   2          HG23      THR   2  -1.788  -7.990   6.977
   13    H    THR   3           H        THR   3  -5.621  -6.567   5.365
   14    HA   THR   3           HA       THR   3  -5.474  -4.413   3.451
   15    HB   THR   3           HB       THR   3  -6.949  -3.400   5.531
   16    HG1  THR   3           HG1      THR   3  -8.188  -5.097   6.334
   17   HG21  THR   3          HG21      THR   3  -7.786  -5.296   3.315
   18   HG22  THR   3          HG22      THR   3  -8.907  -4.294   4.271
   19   HG23  THR   3          HG23      THR   3  -7.670  -3.519   3.261
   20    H    CYS   4           H        CYS   4  -5.160  -2.263   3.872
   21    HA   CYS   4           HA       CYS   4  -3.674  -1.473   6.288
   22    HB2  CYS   4           HB2      CYS   4  -1.917  -0.443   5.162
   23    HB3  CYS   4           HB3      CYS   4  -2.084  -2.001   4.378
   24    H    TYR   5           H        TYR   5  -3.557   1.009   6.490
   25    HA   TYR   5           HA       TYR   5  -5.814   2.397   5.129
   26    HB2  TYR   5           HB2      TYR   5  -5.404   2.314   8.141
   27    HB3  TYR   5           HB3      TYR   5  -6.502   3.389   7.298
   28    HD1  TYR   5           HD1      TYR   5  -5.893  -0.136   8.290
   29    HD2  TYR   5           HD2      TYR   5  -8.643   2.640   6.456
   30    HE1  TYR   5           HE1      TYR   5  -7.716  -1.821   8.478
   31    HE2  TYR   5           HE2      TYR   5 -10.474   0.961   6.675
   32    HH   TYR   5           HH       TYR   5  -9.936  -2.272   8.126
   33    H    CYS   6           H        CYS   6  -5.320   4.395   4.472
   34    HA   CYS   6           HA       CYS   6  -3.511   6.098   6.084
   35    HB2  CYS   6           HB2      CYS   6  -2.785   4.962   3.421
   36    HB3  CYS   6           HB3      CYS   6  -2.486   6.680   3.614
   37    H    GLY   7           H        GLY   7  -4.175   8.206   6.104
   38    HA2  GLY   7           HA2      GLY   7  -5.334  10.130   5.565
   39    HA3  GLY   7           HA3      GLY   7  -4.926   9.718   3.897
   40    H    LYS   8           H        LYS   8  -7.159   8.158   6.206
   41    HA   LYS   8           HA       LYS   8  -9.276   7.359   6.038
   42    HB2  LYS   8           HB2      LYS   8  -9.875   9.829   4.389
   43    HB3  LYS   8           HB3      LYS   8 -11.042   8.808   5.231
   44    HG2  LYS   8           HG2      LYS   8  -9.995   9.407   7.412
   45    HG3  LYS   8           HG3      LYS   8  -8.880  10.495   6.560
   46    HD2  LYS   8           HD2      LYS   8 -10.827  11.798   5.693
   47    HD3  LYS   8           HD3      LYS   8 -11.922  10.701   6.539
   48    HE2  LYS   8           HE2      LYS   8 -11.743  12.649   7.888
   49    HE3  LYS   8           HE3      LYS   8 -10.868  11.360   8.718
   50    HZ1  LYS   8           HZ1      LYS   8  -8.790  12.332   7.880
   51    HZ2  LYS   8           HZ2      LYS   8  -9.607  13.500   7.075
   52    HZ3  LYS   8           HZ3      LYS   8  -9.627  13.460   8.705
   53    H    THR   9           H        THR   9  -7.333   6.627   3.888
   54    HA   THR   9           HA       THR   9  -9.231   5.415   1.929
   55    HB   THR   9           HB       THR   9  -6.344   6.227   1.383
   56    HG1  THR   9           HG1      THR   9  -7.659   8.039   1.535
   57   HG21  THR   9          HG21      THR   9  -6.974   5.797  -0.966
   58   HG22  THR   9          HG22      THR   9  -7.101   4.330   0.012
   59   HG23  THR   9          HG23      THR   9  -8.572   5.219  -0.442
   60    H    ILE  10           H        ILE  10  -9.417   3.354   2.372
   61    HA   ILE  10           HA       ILE  10  -7.381   1.748   3.712
   62    HB   ILE  10           HB       ILE  10  -9.789   1.448   4.084
   63   HG12  ILE  10          HG12      ILE  10  -8.479  -1.020   2.862
   64   HG13  ILE  10          HG13      ILE  10  -8.308  -0.439   4.523
   65   HG21  ILE  10          HG21      ILE  10  -9.923   0.416   1.232
   66   HG22  ILE  10          HG22      ILE  10 -11.271   0.567   2.387
   67   HG23  ILE  10          HG23      ILE  10 -10.489   2.016   1.757
   68   HD11  ILE  10          HD11      ILE  10 -10.804  -1.572   3.224
   69   HD12  ILE  10          HD12      ILE  10  -9.886  -2.210   4.597
   70   HD13  ILE  10          HD13      ILE  10 -10.824  -0.720   4.786
   71    H    GLY  11           H        GLY  11  -6.135   0.113   2.800
   72    HA2  GLY  11           HA2      GLY  11  -5.994  -0.169  -0.163
   73    HA3  GLY  11           HA3      GLY  11  -4.591   0.376   0.747
   74    H    ILE  12           H        ILE  12  -3.789  -1.506  -0.400
   75    HA   ILE  12           HA       ILE  12  -4.081  -4.078   1.044
   76    HB   ILE  12           HB       ILE  12  -3.775  -3.372  -1.746
   77   HG12  ILE  12          HG12      ILE  12  -5.311  -5.019  -0.949
   78   HG13  ILE  12          HG13      ILE  12  -4.227  -5.669  -2.175
   79   HG21  ILE  12          HG21      ILE  12  -1.431  -3.433  -1.626
   80   HG22  ILE  12          HG22      ILE  12  -1.420  -5.014  -0.799
   81   HG23  ILE  12          HG23      ILE  12  -2.001  -4.888  -2.461
   82   HD11  ILE  12          HD11      ILE  12  -4.199  -6.291   0.778
   83   HD12  ILE  12          HD12      ILE  12  -4.556  -7.379  -0.560
   84   HD13  ILE  12          HD13      ILE  12  -2.899  -6.791  -0.334
   85    H    TYR  13           H        TYR  13  -2.363  -4.969   2.046
   86    HA   TYR  13           HA       TYR  13  -0.050  -3.166   2.617
   87    HB2  TYR  13           HB2      TYR  13  -1.224  -3.984   4.571
   88    HB3  TYR  13           HB3      TYR  13  -1.086  -5.641   4.008
   89    HD1  TYR  13           HD1      TYR  13   1.303  -2.744   4.542
   90    HD2  TYR  13           HD2      TYR  13   0.438  -6.930   5.168
   91    HE1  TYR  13           HE1      TYR  13   3.500  -3.034   5.686
   92    HE2  TYR  13           HE2      TYR  13   2.611  -7.205   6.330
   93    HH   TYR  13           HH       TYR  13   4.518  -6.207   7.021
   94    H    TRP  14           H        TRP  14   1.891  -3.472   1.801
   95    HA   TRP  14           HA       TRP  14   2.671  -6.134   0.668
   96    HB2  TRP  14           HB2      TRP  14   3.494  -3.316  -0.053
   97    HB3  TRP  14           HB3      TRP  14   4.389  -4.740  -0.559
   98    HD1  TRP  14           HD1      TRP  14   1.197  -2.836  -1.296
   99    HE1  TRP  14           HE1      TRP  14   0.077  -3.789  -3.419
  100    HE3  TRP  14           HE3      TRP  14   4.189  -6.931  -2.042
  101    HZ2  TRP  14           HZ2      TRP  14   0.413  -6.031  -5.161
  102    HZ3  TRP  14           HZ3      TRP  14   3.767  -8.456  -3.960
  103    HH2  TRP  14           HH2      TRP  14   1.883  -8.024  -5.520
  104    H    PHE  15           H        PHE  15   4.066  -7.242   1.812
  105    HA   PHE  15           HA       PHE  15   5.738  -5.945   3.903
  106    HB2  PHE  15           HB2      PHE  15   4.310  -7.747   4.662
  107    HB3  PHE  15           HB3      PHE  15   4.896  -8.812   3.397
  108    HD1  PHE  15           HD1      PHE  15   6.225 -10.539   4.218
  109    HD2  PHE  15           HD2      PHE  15   6.558  -6.640   6.037
  110    HE1  PHE  15           HE1      PHE  15   7.982 -11.394   5.746
  111    HE2  PHE  15           HE2      PHE  15   8.311  -7.498   7.557
  112    HZ   PHE  15           HZ       PHE  15   9.029  -9.877   7.419
  113    H    GLY  16           H        GLY  16   7.956  -6.196   3.991
  114    HA2  GLY  16           HA2      GLY  16  10.104  -6.726   3.357
  115    HA3  GLY  16           HA3      GLY  16   9.450  -7.992   2.317
  116    H    THR  17           H        THR  17   8.436  -4.671   1.791
  117    HA   THR  17           HA       THR  17  10.450  -4.152  -0.271
  118    HB   THR  17           HB       THR  17   8.513  -5.251  -1.440
  119    HG1  THR  17           HG1      THR  17   8.502  -3.631  -3.026
  120   HG21  THR  17          HG21      THR  17   6.676  -4.187  -0.042
  121   HG22  THR  17          HG22      THR  17   6.993  -2.696  -0.962
  122   HG23  THR  17          HG23      THR  17   6.465  -4.157  -1.804
  123    H    LYS  18           H        LYS  18  10.470  -1.969  -0.904
  124    HA   LYS  18           HA       LYS  18   9.771  -0.067   1.312
  125    HB2  LYS  18           HB2      LYS  18  12.170  -0.617   0.823
  126    HB3  LYS  18           HB3      LYS  18  11.975   0.080  -0.788
  127    HG2  LYS  18           HG2      LYS  18  11.547   2.300   0.199
  128    HG3  LYS  18           HG3      LYS  18  11.541   1.599   1.824
  129    HD2  LYS  18           HD2      LYS  18  13.647   2.719   1.433
  130    HD3  LYS  18           HD3      LYS  18  13.931   0.977   1.563
  131    HE2  LYS  18           HE2      LYS  18  14.038   0.810  -0.918
  132    HE3  LYS  18           HE3      LYS  18  13.703   2.542  -1.054
  133    HZ1  LYS  18           HZ1      LYS  18  16.102   1.366   0.252
  134    HZ2  LYS  18           HZ2      LYS  18  16.082   2.078  -1.214
  135    HZ3  LYS  18           HZ3      LYS  18  15.796   2.968   0.122
  136    H    THR  19           H        THR  19   9.091  -0.707  -1.987
  137    HA   THR  19           HA       THR  19   7.702   1.916  -2.291
  138    HB   THR  19           HB       THR  19   9.905   1.860  -3.541
  139    HG1  THR  19           HG1      THR  19   8.947   2.862  -5.290
  140   HG21  THR  19          HG21      THR  19   8.373   0.005  -5.427
  141   HG22  THR  19          HG22      THR  19   9.982   0.714  -5.689
  142   HG23  THR  19          HG23      THR  19   9.746  -0.492  -4.412
  143    H    CYS  20           H        CYS  20   6.039   1.881  -4.024
  144    HA   CYS  20           HA       CYS  20   4.487  -0.609  -3.827
  145    HB2  CYS  20           HB2      CYS  20   3.600   1.899  -3.658
  146    HB3  CYS  20           HB3      CYS  20   3.543   1.769  -5.402
  147    HA   PRO  21           HA       PRO  21   5.942  -1.993  -7.825
  148    HB2  PRO  21           HB2      PRO  21   4.038  -3.925  -8.393
  149    HB3  PRO  21           HB3      PRO  21   5.400  -4.137  -7.251
  150    HG2  PRO  21           HG2      PRO  21   2.536  -3.412  -6.631
  151    HG3  PRO  21           HG3      PRO  21   3.595  -4.574  -5.773
  152    HD2  PRO  21           HD2      PRO  21   3.139  -2.075  -4.857
  153    HD3  PRO  21           HD3      PRO  21   4.719  -2.870  -4.656
  154    H    SER  22           H        SER  22   5.854  -0.799  -9.510
  155    HA   SER  22           HA       SER  22   3.940   1.115 -10.036
  156    HB2  SER  22           HB2      SER  22   5.929  -0.024 -12.034
  157    HB3  SER  22           HB3      SER  22   5.261   1.615 -11.996
  158    HG   SER  22           HG       SER  22   6.366   1.986 -10.051
  159    H    ASN  23           H        ASN  23   4.057  -2.113 -11.470
  160    HA   ASN  23           HA       ASN  23   2.230  -1.417 -13.656
  161    HB2  ASN  23           HB2      ASN  23   3.478  -4.052 -12.787
  162    HB3  ASN  23           HB3      ASN  23   2.536  -3.824 -14.257
  163   HD21  ASN  23          HD21      ASN  23   5.650  -4.149 -13.352
  164   HD22  ASN  23          HD22      ASN  23   6.394  -3.118 -14.565
  165    H    ARG  24           H        ARG  24   1.605  -2.066 -10.441
  166    HA   ARG  24           HA       ARG  24  -0.767  -3.787 -10.768
  167    HB2  ARG  24           HB2      ARG  24   0.624  -2.516  -8.421
  168    HB3  ARG  24           HB3      ARG  24  -0.875  -3.428  -8.271
  169    HG2  ARG  24           HG2      ARG  24   1.041  -4.921  -9.950
  170    HG3  ARG  24           HG3      ARG  24   1.777  -4.466  -8.429
  171    HD2  ARG  24           HD2      ARG  24   0.764  -6.608  -8.188
  172    HD3  ARG  24           HD3      ARG  24  -0.108  -5.429  -7.202
  173    HE   ARG  24           HE       ARG  24  -1.064  -6.580  -9.806
  174   HH11  ARG  24          HH11      ARG  24  -1.975  -5.139  -6.679
  175   HH12  ARG  24          HH12      ARG  24  -3.650  -5.631  -6.959
  176   HH21  ARG  24          HH21      ARG  24  -3.286  -7.045  -9.939
  177   HH22  ARG  24          HH22      ARG  24  -4.295  -6.590  -8.565
  178    H    GLY  25           H        GLY  25  -0.329  -0.448 -11.082
  179    HA2  GLY  25           HA2      GLY  25  -1.915   1.092 -11.755
  180    HA3  GLY  25           HA3      GLY  25  -3.192  -0.087 -11.454
  181    H    TYR  26           H        TYR  26  -0.984   0.712  -8.834
  182    HA   TYR  26           HA       TYR  26  -3.122   1.643  -7.160
  183    HB2  TYR  26           HB2      TYR  26  -0.105   1.703  -6.800
  184    HB3  TYR  26           HB3      TYR  26  -1.257   2.119  -5.538
  185    HD1  TYR  26           HD1      TYR  26   0.863  -0.426  -6.442
  186    HD2  TYR  26           HD2      TYR  26  -3.276   0.220  -5.365
  187    HE1  TYR  26           HE1      TYR  26   0.623  -2.823  -5.789
  188    HE2  TYR  26           HE2      TYR  26  -3.480  -2.153  -4.689
  189    HH   TYR  26           HH       TYR  26  -2.426  -4.181  -4.542
  190    H    THR  27           H        THR  27  -3.626   3.676  -6.361
  191    HA   THR  27           HA       THR  27  -2.826   5.975  -8.067
  192    HB   THR  27           HB       THR  27  -4.676   7.159  -6.980
  193    HG1  THR  27           HG1      THR  27  -6.026   6.046  -5.590
  194   HG21  THR  27          HG21      THR  27  -5.130   5.799  -9.015
  195   HG22  THR  27          HG22      THR  27  -5.560   4.416  -7.985
  196   HG23  THR  27          HG23      THR  27  -6.532   5.902  -7.937
  197    H    GLY  28           H        GLY  28  -2.063   4.661  -4.976
  198    HA2  GLY  28           HA2      GLY  28   0.055   6.516  -4.587
  199    HA3  GLY  28           HA3      GLY  28  -1.269   6.952  -3.509
  200    H    SER  29           H        SER  29   0.960   6.368  -2.294
  201    HA   SER  29           HA       SER  29   0.354   3.965  -0.779
  202    HB2  SER  29           HB2      SER  29   2.550   2.924  -1.001
  203    HB3  SER  29           HB3      SER  29   1.719   2.989  -2.554
  204    HG   SER  29           HG       SER  29   2.987   4.830  -3.090
  205    H    CYS  30           H        CYS  30   1.693   3.722   1.141
  206    HA   CYS  30           HA       CYS  30   3.227   6.052   2.110
  207    HB2  CYS  30           HB2      CYS  30   1.795   6.236   4.126
  208    HB3  CYS  30           HB3      CYS  30   0.902   6.654   2.660
  209    H    GLY  31           H        GLY  31   4.724   5.500   3.714
  210    HA2  GLY  31           HA2      GLY  31   5.467   2.754   3.973
  211    HA3  GLY  31           HA3      GLY  31   6.092   4.077   4.956
  212    H    TYR  32           H        TYR  32   5.031   1.202   5.524
  213    HA   TYR  32           HA       TYR  32   3.033   1.874   7.650
  214    HB2  TYR  32           HB2      TYR  32   2.339   0.738   5.355
  215    HB3  TYR  32           HB3      TYR  32   2.964  -0.715   6.110
  216    HD1  TYR  32           HD1      TYR  32   1.300  -2.029   7.210
  217    HD2  TYR  32           HD2      TYR  32   0.755   2.243   6.888
  218    HE1  TYR  32           HE1      TYR  32  -0.977  -2.236   8.198
  219    HE2  TYR  32           HE2      TYR  32  -1.493   2.036   7.919
  220    HH   TYR  32           HH       TYR  32  -3.033   0.622   8.870
  221    H    PHE  33           H        PHE  33   2.801  -0.167   9.193
  222    HA   PHE  33           HA       PHE  33   5.328  -0.477  10.508
  223    HB2  PHE  33           HB2      PHE  33   3.116  -0.633  11.618
  224    HB3  PHE  33           HB3      PHE  33   2.827  -2.156  10.764
  225    HD1  PHE  33           HD1      PHE  33   5.543  -0.609  12.902
  226    HD2  PHE  33           HD2      PHE  33   3.139  -4.092  12.050
  227    HE1  PHE  33           HE1      PHE  33   6.663  -1.837  14.745
  228    HE2  PHE  33           HE2      PHE  33   4.249  -5.307  13.908
  229    HZ   PHE  33           HZ       PHE  33   6.018  -4.187  15.252
  230    H    LEU  34           H        LEU  34   6.967  -1.735  10.046
  231    HA   LEU  34           HA       LEU  34   8.352  -3.199   9.154
  232    HB2  LEU  34           HB2      LEU  34   6.088  -5.196   9.223
  233    HB3  LEU  34           HB3      LEU  34   7.805  -5.565   9.171
  234    HG   LEU  34           HG       LEU  34   6.395  -4.171  11.485
  235   HD11  LEU  34          HD11      LEU  34   7.425  -7.009  11.163
  236   HD12  LEU  34          HD12      LEU  34   6.714  -6.307  12.641
  237   HD13  LEU  34          HD13      LEU  34   5.722  -6.495  11.181
  238   HD21  LEU  34          HD21      LEU  34   9.250  -5.208  11.237
  239   HD22  LEU  34          HD22      LEU  34   8.754  -3.504  11.391
  240   HD23  LEU  34          HD23      LEU  34   8.482  -4.620  12.731
  241    H    GLY  35           H        GLY  35   6.059  -2.028   7.208
  242    HA2  GLY  35           HA2      GLY  35   7.434  -2.840   4.732
  243    HA3  GLY  35           HA3      GLY  35   5.824  -3.529   4.919
  244    H    ILE  36           H        ILE  36   4.751  -2.480   3.322
  245    HA   ILE  36           HA       ILE  36   4.326   0.451   3.588
  246    HB   ILE  36           HB       ILE  36   6.055   0.492   2.054
  247   HG12  ILE  36          HG12      ILE  36   3.596   0.430   0.251
  248   HG13  ILE  36          HG13      ILE  36   3.911   1.712   1.393
  249   HG21  ILE  36          HG21      ILE  36   4.789  -1.644   0.317
  250   HG22  ILE  36          HG22      ILE  36   6.359  -0.849   0.103
  251   HG23  ILE  36          HG23      ILE  36   6.123  -1.952   1.447
  252   HD11  ILE  36          HD11      ILE  36   5.615   0.968  -0.991
  253   HD12  ILE  36          HD12      ILE  36   4.666   2.435  -0.765
  254   HD13  ILE  36          HD13      ILE  36   6.102   2.165   0.239
  255    H    CYS  37           H        CYS  37   2.418   1.222   2.969
  256    HA   CYS  37           HA       CYS  37   0.213  -0.699   2.378
  257    HB2  CYS  37           HB2      CYS  37  -0.044   0.499   4.422
  258    HB3  CYS  37           HB3      CYS  37   0.461   2.004   3.702
  259    H    CYS  38           H        CYS  38  -0.685  -0.601   0.402
  260    HA   CYS  38           HA       CYS  38  -0.240   1.736  -1.426
  261    HB2  CYS  38           HB2      CYS  38  -0.290  -1.249  -1.967
  262    HB3  CYS  38           HB3      CYS  38  -0.385  -0.027  -3.220
  263    H    TYR  39           H        TYR  39  -2.060   2.381  -2.671
  264    HA   TYR  39           HA       TYR  39  -4.603   0.946  -2.194
  265    HB2  TYR  39           HB2      TYR  39  -5.696   3.173  -1.621
  266    HB3  TYR  39           HB3      TYR  39  -4.748   2.367  -0.399
  267    HD1  TYR  39           HD1      TYR  39  -2.881   3.391   0.636
  268    HD2  TYR  39           HD2      TYR  39  -4.714   5.195  -2.833
  269    HE1  TYR  39           HE1      TYR  39  -1.566   5.472   1.025
  270    HE2  TYR  39           HE2      TYR  39  -3.442   7.296  -2.405
  271    HH   TYR  39           HH       TYR  39  -1.121   7.611   0.305
  272    HA   PRO  40           HA       PRO  40  -7.024   1.755  -2.635
  273    HB2  PRO  40           HB2      PRO  40  -8.766   0.598  -4.372
  274    HB3  PRO  40           HB3      PRO  40  -8.553   2.369  -4.243
  275    HG2  PRO  40           HG2      PRO  40  -7.232   0.480  -6.231
  276    HG3  PRO  40           HG3      PRO  40  -8.134   1.992  -6.582
  277    HD2  PRO  40           HD2      PRO  40  -5.429   1.985  -6.398
  278    HD3  PRO  40           HD3      PRO  40  -6.386   3.338  -5.728
  279    H    VAL  41           H        VAL  41  -7.991  -0.251  -1.905
  280    HA   VAL  41           HA       VAL  41  -6.238  -2.484  -1.723
  281    HB   VAL  41           HB       VAL  41  -7.917  -1.783  -0.039
  282   HG11  VAL  41          HG11      VAL  41 -10.018  -3.112  -1.784
  283   HG12  VAL  41          HG12      VAL  41 -10.236  -2.415  -0.168
  284   HG13  VAL  41          HG13      VAL  41  -9.862  -1.359  -1.536
  285   HG21  VAL  41          HG21      VAL  41  -8.615  -4.022   0.670
  286   HG22  VAL  41          HG22      VAL  41  -8.162  -4.680  -0.913
  287   HG23  VAL  41          HG23      VAL  41  -6.928  -3.977   0.167
  288    H    ASP  42           H        ASP  42  -6.135  -4.435  -2.768
  289    HA   ASP  42           HA       ASP  42  -7.030  -4.534  -5.490
  290    HB2  ASP  42           HB2      ASP  42  -4.879  -5.437  -4.656
  291    HB3  ASP  42           HB3      ASP  42  -5.750  -6.715  -3.811
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -1.634 -11.993   2.228
    2    H2   GLY   1           H2       GLY   1  -0.565 -11.718   3.435
    3    H3   GLY   1           H3       GLY   1  -0.080 -11.614   1.872
    4    HA2  GLY   1           HA2      GLY   1  -0.335  -9.406   2.798
    5    HA3  GLY   1           HA3      GLY   1  -1.479  -9.704   1.479
    6    H    THR   2           H        THR   2  -1.972  -7.706   3.303
    7    HA   THR   2           HA       THR   2  -4.561  -8.522   4.378
    8    HB   THR   2           HB       THR   2  -2.860  -8.981   6.223
    9    HG1  THR   2           HG1      THR   2  -4.924  -8.825   6.825
   10   HG21  THR   2          HG21      THR   2  -1.443  -6.993   5.998
   11   HG22  THR   2          HG22      THR   2  -2.791  -5.959   6.509
   12   HG23  THR   2          HG23      THR   2  -2.119  -7.165   7.620
   13    H    THR   3           H        THR   3  -5.648  -6.403   5.421
   14    HA   THR   3           HA       THR   3  -5.476  -4.326   3.393
   15    HB   THR   3           HB       THR   3  -7.127  -3.312   5.374
   16    HG1  THR   3           HG1      THR   3  -8.442  -5.027   5.990
   17   HG21  THR   3          HG21      THR   3  -7.625  -3.348   3.045
   18   HG22  THR   3          HG22      THR   3  -7.736  -5.126   3.018
   19   HG23  THR   3          HG23      THR   3  -8.952  -4.166   3.895
   20    H    CYS   4           H        CYS   4  -5.149  -2.174   3.704
   21    HA   CYS   4           HA       CYS   4  -3.742  -1.305   6.154
   22    HB2  CYS   4           HB2      CYS   4  -1.939  -0.351   5.036
   23    HB3  CYS   4           HB3      CYS   4  -2.108  -1.941   4.314
   24    H    TYR   5           H        TYR   5  -3.717   1.110   6.431
   25    HA   TYR   5           HA       TYR   5  -5.875   2.513   4.910
   26    HB2  TYR   5           HB2      TYR   5  -5.665   2.349   7.937
   27    HB3  TYR   5           HB3      TYR   5  -6.729   3.432   7.057
   28    HD1  TYR   5           HD1      TYR   5  -6.094  -0.117   7.948
   29    HD2  TYR   5           HD2      TYR   5  -8.811   2.677   6.093
   30    HE1  TYR   5           HE1      TYR   5  -7.891  -1.850   7.957
   31    HE2  TYR   5           HE2      TYR   5 -10.610   0.959   6.139
   32    HH   TYR   5           HH       TYR   5 -11.191  -1.181   6.736
   33    H    CYS   6           H        CYS   6  -5.339   4.520   4.297
   34    HA   CYS   6           HA       CYS   6  -3.728   6.210   6.117
   35    HB2  CYS   6           HB2      CYS   6  -2.697   5.121   3.552
   36    HB3  CYS   6           HB3      CYS   6  -2.488   6.853   3.740
   37    H    GLY   7           H        GLY   7  -4.422   8.292   6.162
   38    HA2  GLY   7           HA2      GLY   7  -5.630  10.188   5.649
   39    HA3  GLY   7           HA3      GLY   7  -5.179   9.866   3.972
   40    H    LYS   8           H        LYS   8  -7.321   7.972   6.103
   41    HA   LYS   8           HA       LYS   8  -9.336   7.007   5.797
   42    HB2  LYS   8           HB2      LYS   8  -9.878   9.532   6.051
   43    HB3  LYS   8           HB3      LYS   8 -10.326   9.455   4.344
   44    HG2  LYS   8           HG2      LYS   8 -11.996   7.669   4.904
   45    HG3  LYS   8           HG3      LYS   8 -11.498   7.751   6.600
   46    HD2  LYS   8           HD2      LYS   8 -12.211  10.118   6.701
   47    HD3  LYS   8           HD3      LYS   8 -12.705  10.067   5.006
   48    HE2  LYS   8           HE2      LYS   8 -13.860   8.298   7.215
   49    HE3  LYS   8           HE3      LYS   8 -14.573   9.824   6.689
   50    HZ1  LYS   8           HZ1      LYS   8 -14.211   7.442   4.952
   51    HZ2  LYS   8           HZ2      LYS   8 -15.626   7.963   5.571
   52    HZ3  LYS   8           HZ3      LYS   8 -14.844   8.869   4.464
   53    H    THR   9           H        THR   9  -7.314   6.725   3.648
   54    HA   THR   9           HA       THR   9  -9.041   5.559   1.511
   55    HB   THR   9           HB       THR   9  -6.128   6.389   1.199
   56    HG1  THR   9           HG1      THR   9  -7.450   8.211   1.453
   57   HG21  THR   9          HG21      THR   9  -6.894   4.627  -0.351
   58   HG22  THR   9          HG22      THR   9  -8.311   5.605  -0.793
   59   HG23  THR   9          HG23      THR   9  -6.675   6.162  -1.206
   60    H    ILE  10           H        ILE  10  -9.251   3.491   1.902
   61    HA   ILE  10           HA       ILE  10  -7.318   1.862   3.344
   62    HB   ILE  10           HB       ILE  10  -9.750   1.576   3.536
   63   HG12  ILE  10          HG12      ILE  10  -8.364  -0.897   2.408
   64   HG13  ILE  10          HG13      ILE  10  -8.309  -0.320   4.078
   65   HG21  ILE  10          HG21      ILE  10 -11.103   0.715   1.729
   66   HG22  ILE  10          HG22      ILE  10 -10.253   2.149   1.151
   67   HG23  ILE  10          HG23      ILE  10  -9.669   0.537   0.685
   68   HD11  ILE  10          HD11      ILE  10 -10.851  -0.578   4.136
   69   HD12  ILE  10          HD12      ILE  10 -10.704  -1.439   2.586
   70   HD13  ILE  10          HD13      ILE  10  -9.910  -2.074   4.035
   71    H    GLY  11           H        GLY  11  -6.050   0.205   2.521
   72    HA2  GLY  11           HA2      GLY  11  -5.728  -0.124  -0.413
   73    HA3  GLY  11           HA3      GLY  11  -4.359   0.400   0.551
   74    H    ILE  12           H        ILE  12  -3.550  -1.502  -0.494
   75    HA   ILE  12           HA       ILE  12  -3.965  -4.018   1.016
   76    HB   ILE  12           HB       ILE  12  -3.705  -3.430  -1.769
   77   HG12  ILE  12          HG12      ILE  12  -5.169  -5.068  -0.917
   78   HG13  ILE  12          HG13      ILE  12  -4.083  -5.756  -2.117
   79   HG21  ILE  12          HG21      ILE  12  -1.892  -4.881  -2.494
   80   HG22  ILE  12          HG22      ILE  12  -1.370  -3.371  -1.722
   81   HG23  ILE  12          HG23      ILE  12  -1.254  -4.932  -0.851
   82   HD11  ILE  12          HD11      ILE  12  -2.702  -6.777  -0.288
   83   HD12  ILE  12          HD12      ILE  12  -3.922  -6.212   0.878
   84   HD13  ILE  12          HD13      ILE  12  -4.368  -7.379  -0.366
   85    H    TYR  13           H        TYR  13  -2.271  -4.927   2.086
   86    HA   TYR  13           HA       TYR  13   0.053  -3.146   2.629
   87    HB2  TYR  13           HB2      TYR  13  -1.173  -3.943   4.571
   88    HB3  TYR  13           HB3      TYR  13  -0.952  -5.610   4.062
   89    HD1  TYR  13           HD1      TYR  13   1.271  -2.594   4.543
   90    HD2  TYR  13           HD2      TYR  13   0.635  -6.799   5.301
   91    HE1  TYR  13           HE1      TYR  13   3.423  -2.703   5.776
   92    HE2  TYR  13           HE2      TYR  13   2.754  -6.882   6.592
   93    HH   TYR  13           HH       TYR  13   4.569  -5.736   7.317
   94    H    TRP  14           H        TRP  14   1.951  -3.442   1.807
   95    HA   TRP  14           HA       TRP  14   2.780  -6.105   0.704
   96    HB2  TRP  14           HB2      TRP  14   3.526  -3.285  -0.087
   97    HB3  TRP  14           HB3      TRP  14   4.480  -4.676  -0.546
   98    HD1  TRP  14           HD1      TRP  14   1.260  -2.922  -1.363
   99    HE1  TRP  14           HE1      TRP  14   0.135  -4.011  -3.403
  100    HE3  TRP  14           HE3      TRP  14   4.314  -6.993  -1.876
  101    HZ2  TRP  14           HZ2      TRP  14   0.509  -6.377  -5.031
  102    HZ3  TRP  14           HZ3      TRP  14   3.908  -8.653  -3.680
  103    HH2  TRP  14           HH2      TRP  14   2.009  -8.359  -5.253
  104    H    PHE  15           H        PHE  15   4.096  -7.184   1.947
  105    HA   PHE  15           HA       PHE  15   5.867  -5.815   3.909
  106    HB2  PHE  15           HB2      PHE  15   4.406  -7.491   4.844
  107    HB3  PHE  15           HB3      PHE  15   4.894  -8.672   3.638
  108    HD1  PHE  15           HD1      PHE  15   6.408 -10.313   4.327
  109    HD2  PHE  15           HD2      PHE  15   6.545  -6.433   6.216
  110    HE1  PHE  15           HE1      PHE  15   8.229 -11.099   5.820
  111    HE2  PHE  15           HE2      PHE  15   8.380  -7.226   7.691
  112    HZ   PHE  15           HZ       PHE  15   9.219  -9.556   7.501
  113    H    GLY  16           H        GLY  16   8.076  -6.157   3.957
  114    HA2  GLY  16           HA2      GLY  16  10.186  -6.799   3.272
  115    HA3  GLY  16           HA3      GLY  16   9.457  -8.039   2.248
  116    H    THR  17           H        THR  17   8.497  -4.703   1.759
  117    HA   THR  17           HA       THR  17  10.484  -4.186  -0.330
  118    HB   THR  17           HB       THR  17   8.520  -5.255  -1.503
  119    HG1  THR  17           HG1      THR  17   8.453  -3.559  -3.035
  120   HG21  THR  17          HG21      THR  17   7.038  -2.704  -0.878
  121   HG22  THR  17          HG22      THR  17   6.481  -4.098  -1.813
  122   HG23  THR  17          HG23      THR  17   6.719  -4.250  -0.059
  123    H    LYS  18           H        LYS  18  10.437  -1.996  -0.995
  124    HA   LYS  18           HA       LYS  18   9.757  -0.067   1.204
  125    HB2  LYS  18           HB2      LYS  18  11.570   1.282   0.357
  126    HB3  LYS  18           HB3      LYS  18  12.125  -0.363   0.705
  127    HG2  LYS  18           HG2      LYS  18  12.038  -0.865  -1.759
  128    HG3  LYS  18           HG3      LYS  18  11.579   0.824  -2.051
  129    HD2  LYS  18           HD2      LYS  18  13.715   1.571  -0.982
  130    HD3  LYS  18           HD3      LYS  18  14.133  -0.116  -0.675
  131    HE2  LYS  18           HE2      LYS  18  15.365   0.500  -2.590
  132    HE3  LYS  18           HE3      LYS  18  14.063  -0.547  -3.158
  133    HZ1  LYS  18           HZ1      LYS  18  14.060   2.429  -3.299
  134    HZ2  LYS  18           HZ2      LYS  18  14.338   1.432  -4.557
  135    HZ3  LYS  18           HZ3      LYS  18  12.863   1.467  -3.866
  136    H    THR  19           H        THR  19   9.098  -0.765  -2.048
  137    HA   THR  19           HA       THR  19   7.460   1.718  -2.382
  138    HB   THR  19           HB       THR  19   9.646   1.811  -3.627
  139    HG1  THR  19           HG1      THR  19   8.624   2.673  -5.420
  140   HG21  THR  19          HG21      THR  19   9.709  -0.564  -4.422
  141   HG22  THR  19          HG22      THR  19   8.298  -0.236  -5.452
  142   HG23  THR  19          HG23      THR  19   9.834   0.609  -5.744
  143    H    CYS  20           H        CYS  20   5.844   1.543  -4.161
  144    HA   CYS  20           HA       CYS  20   4.413  -1.027  -3.949
  145    HB2  CYS  20           HB2      CYS  20   3.561   1.645  -5.106
  146    HB3  CYS  20           HB3      CYS  20   2.529   0.218  -4.978
  147    HA   PRO  21           HA       PRO  21   5.616  -2.157  -8.141
  148    HB2  PRO  21           HB2      PRO  21   3.845  -4.184  -8.614
  149    HB3  PRO  21           HB3      PRO  21   5.264  -4.334  -7.534
  150    HG2  PRO  21           HG2      PRO  21   2.390  -3.818  -6.781
  151    HG3  PRO  21           HG3      PRO  21   3.539  -4.928  -5.981
  152    HD2  PRO  21           HD2      PRO  21   3.009  -2.445  -5.009
  153    HD3  PRO  21           HD3      PRO  21   4.613  -3.225  -4.847
  154    H    SER  22           H        SER  22   5.155  -0.349  -9.257
  155    HA   SER  22           HA       SER  22   2.751   1.026  -9.400
  156    HB2  SER  22           HB2      SER  22   5.080   1.832  -9.923
  157    HB3  SER  22           HB3      SER  22   4.921   1.106 -11.532
  158    HG   SER  22           HG       SER  22   3.170   2.514 -11.929
  159    H    ASN  23           H        ASN  23   3.798  -1.533 -11.614
  160    HA   ASN  23           HA       ASN  23   1.826  -1.057 -13.657
  161    HB2  ASN  23           HB2      ASN  23   3.447  -3.538 -12.937
  162    HB3  ASN  23           HB3      ASN  23   2.461  -3.377 -14.386
  163   HD21  ASN  23          HD21      ASN  23   5.604  -2.878 -13.174
  164   HD22  ASN  23          HD22      ASN  23   6.155  -1.837 -14.476
  165    H    ARG  24           H        ARG  24   1.358  -2.238 -10.495
  166    HA   ARG  24           HA       ARG  24  -1.003  -3.883 -11.115
  167    HB2  ARG  24           HB2      ARG  24   0.759  -4.310  -9.362
  168    HB3  ARG  24           HB3      ARG  24   0.036  -3.023  -8.409
  169    HG2  ARG  24           HG2      ARG  24  -1.886  -4.267  -7.935
  170    HG3  ARG  24           HG3      ARG  24  -1.794  -5.196  -9.446
  171    HD2  ARG  24           HD2      ARG  24   0.106  -6.452  -8.653
  172    HD3  ARG  24           HD3      ARG  24   0.159  -5.525  -7.144
  173    HE   ARG  24           HE       ARG  24  -2.400  -6.526  -7.098
  174   HH11  ARG  24          HH11      ARG  24   0.610  -8.268  -7.634
  175   HH12  ARG  24          HH12      ARG  24  -0.072  -9.741  -6.997
  176   HH21  ARG  24          HH21      ARG  24  -3.147  -8.283  -6.369
  177   HH22  ARG  24          HH22      ARG  24  -2.195  -9.772  -6.259
  178    H    GLY  25           H        GLY  25  -0.506  -0.606 -10.926
  179    HA2  GLY  25           HA2      GLY  25  -2.101   0.982 -11.498
  180    HA3  GLY  25           HA3      GLY  25  -3.396  -0.154 -11.129
  181    H    TYR  26           H        TYR  26  -0.967   0.507  -8.663
  182    HA   TYR  26           HA       TYR  26  -2.909   1.648  -6.856
  183    HB2  TYR  26           HB2      TYR  26   0.124   1.556  -6.689
  184    HB3  TYR  26           HB3      TYR  26  -0.950   2.038  -5.378
  185    HD1  TYR  26           HD1      TYR  26   0.872  -0.700  -6.686
  186    HD2  TYR  26           HD2      TYR  26  -2.910   0.279  -4.837
  187    HE1  TYR  26           HE1      TYR  26   0.531  -3.077  -6.066
  188    HE2  TYR  26           HE2      TYR  26  -3.218  -2.104  -4.207
  189    HH   TYR  26           HH       TYR  26  -0.933  -4.643  -5.291
  190    H    THR  27           H        THR  27  -3.310   3.736  -6.260
  191    HA   THR  27           HA       THR  27  -2.294   5.897  -8.052
  192    HB   THR  27           HB       THR  27  -4.241   7.171  -7.305
  193    HG1  THR  27           HG1      THR  27  -5.778   6.192  -6.013
  194   HG21  THR  27          HG21      THR  27  -5.992   5.884  -8.397
  195   HG22  THR  27          HG22      THR  27  -4.470   5.657  -9.274
  196   HG23  THR  27          HG23      THR  27  -5.075   4.375  -8.201
  197    H    GLY  28           H        GLY  28  -1.944   4.766  -4.816
  198    HA2  GLY  28           HA2      GLY  28   0.005   6.803  -4.228
  199    HA3  GLY  28           HA3      GLY  28  -1.468   7.064  -3.300
  200    H    SER  29           H        SER  29   0.666   6.687  -1.828
  201    HA   SER  29           HA       SER  29   0.416   4.028  -0.604
  202    HB2  SER  29           HB2      SER  29   2.741   3.454  -0.886
  203    HB3  SER  29           HB3      SER  29   1.995   3.725  -2.473
  204    HG   SER  29           HG       SER  29   4.037   4.744  -2.348
  205    H    CYS  30           H        CYS  30   1.678   3.756   1.349
  206    HA   CYS  30           HA       CYS  30   3.145   6.008   2.457
  207    HB2  CYS  30           HB2      CYS  30   1.789   6.319   4.448
  208    HB3  CYS  30           HB3      CYS  30   0.775   6.575   3.025
  209    H    GLY  31           H        GLY  31   4.582   5.426   4.146
  210    HA2  GLY  31           HA2      GLY  31   5.383   2.680   4.264
  211    HA3  GLY  31           HA3      GLY  31   5.940   3.964   5.339
  212    H    TYR  32           H        TYR  32   4.782   1.009   5.632
  213    HA   TYR  32           HA       TYR  32   2.830   1.575   7.829
  214    HB2  TYR  32           HB2      TYR  32   1.945   1.069   5.399
  215    HB3  TYR  32           HB3      TYR  32   2.397  -0.579   5.753
  216    HD1  TYR  32           HD1      TYR  32   0.290   2.289   6.769
  217    HD2  TYR  32           HD2      TYR  32   0.977  -1.943   7.186
  218    HE1  TYR  32           HE1      TYR  32  -1.973   2.021   7.797
  219    HE2  TYR  32           HE2      TYR  32  -1.292  -2.220   8.185
  220    HH   TYR  32           HH       TYR  32  -3.231  -1.165   8.836
  221    H    PHE  33           H        PHE  33   2.997   0.236   9.569
  222    HA   PHE  33           HA       PHE  33   3.956  -1.216  11.014
  223    HB2  PHE  33           HB2      PHE  33   2.032  -2.350  10.091
  224    HB3  PHE  33           HB3      PHE  33   3.015  -3.081   8.837
  225    HD1  PHE  33           HD1      PHE  33   3.552  -2.738  12.587
  226    HD2  PHE  33           HD2      PHE  33   2.989  -5.397   9.232
  227    HE1  PHE  33           HE1      PHE  33   3.954  -4.688  14.059
  228    HE2  PHE  33           HE2      PHE  33   3.392  -7.344  10.716
  229    HZ   PHE  33           HZ       PHE  33   3.882  -6.994  13.130
  230    H    LEU  34           H        LEU  34   5.071  -3.439   8.532
  231    HA   LEU  34           HA       LEU  34   7.928  -2.848   9.207
  232    HB2  LEU  34           HB2      LEU  34   6.599  -5.550   8.816
  233    HB3  LEU  34           HB3      LEU  34   8.326  -5.294   9.066
  234    HG   LEU  34           HG       LEU  34   6.199  -4.554  11.123
  235   HD11  LEU  34          HD11      LEU  34   6.268  -6.955  10.674
  236   HD12  LEU  34          HD12      LEU  34   8.025  -6.974  10.946
  237   HD13  LEU  34          HD13      LEU  34   6.909  -6.578  12.282
  238   HD21  LEU  34          HD21      LEU  34   8.291  -3.275  11.406
  239   HD22  LEU  34          HD22      LEU  34   8.121  -4.487  12.680
  240   HD23  LEU  34          HD23      LEU  34   9.237  -4.778  11.325
  241    H    GLY  35           H        GLY  35   5.927  -2.326   6.904
  242    HA2  GLY  35           HA2      GLY  35   7.819  -2.546   4.658
  243    HA3  GLY  35           HA3      GLY  35   6.326  -3.483   4.507
  244    H    ILE  36           H        ILE  36   4.859  -2.443   3.304
  245    HA   ILE  36           HA       ILE  36   4.355   0.460   3.630
  246    HB   ILE  36           HB       ILE  36   6.083   0.549   2.075
  247   HG12  ILE  36          HG12      ILE  36   3.609   0.518   0.302
  248   HG13  ILE  36          HG13      ILE  36   3.933   1.773   1.480
  249   HG21  ILE  36          HG21      ILE  36   4.785  -1.593   0.363
  250   HG22  ILE  36          HG22      ILE  36   6.320  -0.759   0.056
  251   HG23  ILE  36          HG23      ILE  36   6.190  -1.860   1.415
  252   HD11  ILE  36          HD11      ILE  36   5.587   1.085  -0.959
  253   HD12  ILE  36          HD12      ILE  36   4.693   2.578  -0.642
  254   HD13  ILE  36          HD13      ILE  36   6.133   2.219   0.317
  255    H    CYS  37           H        CYS  37   2.434   1.207   3.012
  256    HA   CYS  37           HA       CYS  37   0.240  -0.688   2.317
  257    HB2  CYS  37           HB2      CYS  37  -0.061   0.647   4.303
  258    HB3  CYS  37           HB3      CYS  37   0.440   2.105   3.471
  259    H    CYS  38           H        CYS  38  -0.593  -0.607   0.288
  260    HA   CYS  38           HA       CYS  38  -0.009   1.702  -1.534
  261    HB2  CYS  38           HB2      CYS  38  -0.138  -1.242  -2.215
  262    HB3  CYS  38           HB3      CYS  38   0.169   0.062  -3.351
  263    H    TYR  39           H        TYR  39  -1.835   2.509  -2.525
  264    HA   TYR  39           HA       TYR  39  -4.387   1.020  -2.192
  265    HB2  TYR  39           HB2      TYR  39  -5.472   3.161  -1.493
  266    HB3  TYR  39           HB3      TYR  39  -4.439   2.379  -0.331
  267    HD1  TYR  39           HD1      TYR  39  -2.586   3.465   0.664
  268    HD2  TYR  39           HD2      TYR  39  -4.675   5.284  -2.646
  269    HE1  TYR  39           HE1      TYR  39  -1.521   5.657   1.193
  270    HE2  TYR  39           HE2      TYR  39  -3.635   7.475  -2.096
  271    HH   TYR  39           HH       TYR  39  -2.226   8.621  -0.692
  272    HA   PRO  40           HA       PRO  40  -6.810   1.806  -2.596
  273    HB2  PRO  40           HB2      PRO  40  -8.557   0.721  -4.370
  274    HB3  PRO  40           HB3      PRO  40  -8.339   2.486  -4.180
  275    HG2  PRO  40           HG2      PRO  40  -7.021   0.665  -6.233
  276    HG3  PRO  40           HG3      PRO  40  -7.927   2.187  -6.532
  277    HD2  PRO  40           HD2      PRO  40  -5.223   2.181  -6.350
  278    HD3  PRO  40           HD3      PRO  40  -6.184   3.508  -5.636
  279    H    VAL  41           H        VAL  41  -7.783  -0.232  -1.954
  280    HA   VAL  41           HA       VAL  41  -6.030  -2.430  -1.772
  281    HB   VAL  41           HB       VAL  41  -7.803  -1.752  -0.164
  282   HG11  VAL  41          HG11      VAL  41  -9.679  -1.375  -1.752
  283   HG12  VAL  41          HG12      VAL  41  -9.780  -3.130  -2.013
  284   HG13  VAL  41          HG13      VAL  41 -10.100  -2.445  -0.408
  285   HG21  VAL  41          HG21      VAL  41  -8.479  -3.991   0.538
  286   HG22  VAL  41          HG22      VAL  41  -7.957  -4.662  -1.017
  287   HG23  VAL  41          HG23      VAL  41  -6.775  -3.924   0.098
  288    H    ASP  42           H        ASP  42  -6.027  -4.486  -2.661
  289    HA   ASP  42           HA       ASP  42  -7.326  -4.810  -5.333
  290    HB2  ASP  42           HB2      ASP  42  -5.042  -3.965  -5.547
  291    HB3  ASP  42           HB3      ASP  42  -4.433  -5.274  -4.540
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -6.171 -11.448   0.759
    2    H2   GLY   1           H2       GLY   1  -5.606 -11.262  -0.769
    3    H3   GLY   1           H3       GLY   1  -6.539 -10.098  -0.089
    4    HA2  GLY   1           HA2      GLY   1  -3.838 -10.865   0.812
    5    HA3  GLY   1           HA3      GLY   1  -4.226  -9.407  -0.118
    6    H    THR   2           H        THR   2  -2.912  -8.970   2.148
    7    HA   THR   2           HA       THR   2  -4.754  -8.490   4.423
    8    HB   THR   2           HB       THR   2  -1.772  -7.981   4.128
    9    HG1  THR   2           HG1      THR   2  -2.369 -10.178   4.131
   10   HG21  THR   2          HG21      THR   2  -3.581  -7.889   6.584
   11   HG22  THR   2          HG22      THR   2  -1.804  -7.894   6.624
   12   HG23  THR   2          HG23      THR   2  -2.659  -6.533   5.890
   13    H    THR   3           H        THR   3  -5.687  -6.542   4.901
   14    HA   THR   3           HA       THR   3  -5.449  -4.335   3.063
   15    HB   THR   3           HB       THR   3  -6.945  -3.352   5.139
   16    HG1  THR   3           HG1      THR   3  -8.216  -5.048   5.896
   17   HG21  THR   3          HG21      THR   3  -8.898  -4.208   3.850
   18   HG22  THR   3          HG22      THR   3  -7.646  -3.420   2.867
   19   HG23  THR   3          HG23      THR   3  -7.779  -5.200   2.881
   20    H    CYS   4           H        CYS   4  -5.146  -2.179   3.598
   21    HA   CYS   4           HA       CYS   4  -3.688  -1.533   6.062
   22    HB2  CYS   4           HB2      CYS   4  -1.934  -0.356   4.983
   23    HB3  CYS   4           HB3      CYS   4  -2.003  -1.949   4.270
   24    H    TYR   5           H        TYR   5  -3.716   0.833   6.575
   25    HA   TYR   5           HA       TYR   5  -5.820   2.379   5.110
   26    HB2  TYR   5           HB2      TYR   5  -5.661   1.986   8.120
   27    HB3  TYR   5           HB3      TYR   5  -6.715   3.123   7.301
   28    HD1  TYR   5           HD1      TYR   5  -6.063  -0.480   7.936
   29    HD2  TYR   5           HD2      TYR   5  -8.781   2.423   6.258
   30    HE1  TYR   5           HE1      TYR   5  -7.842  -2.225   7.787
   31    HE2  TYR   5           HE2      TYR   5 -10.563   0.692   6.150
   32    HH   TYR   5           HH       TYR   5 -11.128  -1.495   6.563
   33    H    CYS   6           H        CYS   6  -5.249   4.421   4.665
   34    HA   CYS   6           HA       CYS   6  -3.564   5.906   6.613
   35    HB2  CYS   6           HB2      CYS   6  -2.642   5.023   3.948
   36    HB3  CYS   6           HB3      CYS   6  -2.452   6.750   4.207
   37    H    GLY   7           H        GLY   7  -4.341   7.909   6.978
   38    HA2  GLY   7           HA2      GLY   7  -5.670   9.785   6.800
   39    HA3  GLY   7           HA3      GLY   7  -5.280   9.760   5.076
   40    H    LYS   8           H        LYS   8  -7.137   7.344   6.897
   41    HA   LYS   8           HA       LYS   8  -9.064   6.245   6.480
   42    HB2  LYS   8           HB2      LYS   8 -10.173   8.994   5.847
   43    HB3  LYS   8           HB3      LYS   8 -11.128   7.537   6.135
   44    HG2  LYS   8           HG2      LYS   8 -10.114   7.322   8.406
   45    HG3  LYS   8           HG3      LYS   8  -9.265   8.860   8.151
   46    HD2  LYS   8           HD2      LYS   8 -11.433  10.021   7.867
   47    HD3  LYS   8           HD3      LYS   8 -12.293   8.482   8.092
   48    HE2  LYS   8           HE2      LYS   8 -11.288   8.261  10.359
   49    HE3  LYS   8           HE3      LYS   8 -10.453   9.803  10.140
   50    HZ1  LYS   8           HZ1      LYS   8 -13.406   9.452  10.163
   51    HZ2  LYS   8           HZ2      LYS   8 -12.523  10.083  11.380
   52    HZ3  LYS   8           HZ3      LYS   8 -12.636  10.880   9.961
   53    H    THR   9           H        THR   9  -7.188   6.701   4.174
   54    HA   THR   9           HA       THR   9  -8.945   5.695   1.982
   55    HB   THR   9           HB       THR   9  -6.063   6.658   1.773
   56    HG1  THR   9           HG1      THR   9  -7.536   8.350   2.127
   57   HG21  THR   9          HG21      THR   9  -6.616   4.975   0.072
   58   HG22  THR   9          HG22      THR   9  -8.110   5.852  -0.340
   59   HG23  THR   9          HG23      THR   9  -6.518   6.582  -0.656
   60    H    ILE  10           H        ILE  10  -9.142   3.608   2.189
   61    HA   ILE  10           HA       ILE  10  -7.203   1.866   3.463
   62    HB   ILE  10           HB       ILE  10  -9.631   1.568   3.648
   63   HG12  ILE  10          HG12      ILE  10  -8.275  -0.800   2.287
   64   HG13  ILE  10          HG13      ILE  10  -8.220  -0.383   4.005
   65   HG21  ILE  10          HG21      ILE  10  -9.600   0.806   0.710
   66   HG22  ILE  10          HG22      ILE  10 -11.016   0.883   1.789
   67   HG23  ILE  10          HG23      ILE  10 -10.173   2.363   1.341
   68   HD11  ILE  10          HD11      ILE  10 -10.765  -0.632   4.032
   69   HD12  ILE  10          HD12      ILE  10 -10.618  -1.343   2.406
   70   HD13  ILE  10          HD13      ILE  10  -9.833  -2.116   3.790
   71    H    GLY  11           H        GLY  11  -5.931   0.269   2.497
   72    HA2  GLY  11           HA2      GLY  11  -5.760   0.076  -0.461
   73    HA3  GLY  11           HA3      GLY  11  -4.322   0.533   0.445
   74    H    ILE  12           H        ILE  12  -3.584  -1.353  -0.673
   75    HA   ILE  12           HA       ILE  12  -3.997  -3.908   0.778
   76    HB   ILE  12           HB       ILE  12  -3.626  -3.212  -2.001
   77   HG12  ILE  12          HG12      ILE  12  -5.228  -4.790  -1.241
   78   HG13  ILE  12          HG13      ILE  12  -4.139  -5.492  -2.436
   79   HG21  ILE  12          HG21      ILE  12  -1.313  -4.863  -0.974
   80   HG22  ILE  12          HG22      ILE  12  -1.889  -4.839  -2.634
   81   HG23  ILE  12          HG23      ILE  12  -1.317  -3.324  -1.892
   82   HD11  ILE  12          HD11      ILE  12  -4.299  -6.113   0.506
   83   HD12  ILE  12          HD12      ILE  12  -4.527  -7.194  -0.865
   84   HD13  ILE  12          HD13      ILE  12  -2.897  -6.603  -0.485
   85    H    TYR  13           H        TYR  13  -2.315  -4.854   1.807
   86    HA   TYR  13           HA       TYR  13   0.014  -3.100   2.453
   87    HB2  TYR  13           HB2      TYR  13  -1.194  -3.946   4.368
   88    HB3  TYR  13           HB3      TYR  13  -1.081  -5.590   3.770
   89    HD1  TYR  13           HD1      TYR  13   1.283  -2.727   4.501
   90    HD2  TYR  13           HD2      TYR  13   0.477  -6.958   4.803
   91    HE1  TYR  13           HE1      TYR  13   3.460  -3.067   5.672
   92    HE2  TYR  13           HE2      TYR  13   2.628  -7.283   5.999
   93    HH   TYR  13           HH       TYR  13   4.461  -6.286   6.875
   94    H    TRP  14           H        TRP  14   1.957  -3.407   1.667
   95    HA   TRP  14           HA       TRP  14   2.744  -6.053   0.500
   96    HB2  TRP  14           HB2      TRP  14   3.555  -3.228  -0.196
   97    HB3  TRP  14           HB3      TRP  14   4.510  -4.610  -0.662
   98    HD1  TRP  14           HD1      TRP  14   1.304  -2.828  -1.515
   99    HE1  TRP  14           HE1      TRP  14   0.202  -3.900  -3.610
  100    HE3  TRP  14           HE3      TRP  14   4.287  -6.962  -2.013
  101    HZ2  TRP  14           HZ2      TRP  14   0.509  -6.254  -5.192
  102    HZ3  TRP  14           HZ3      TRP  14   3.808  -8.647  -3.775
  103    HH2  TRP  14           HH2      TRP  14   1.906  -8.326  -5.340
  104    H    PHE  15           H        PHE  15   4.054  -7.204   1.679
  105    HA   PHE  15           HA       PHE  15   5.598  -6.058   3.914
  106    HB2  PHE  15           HB2      PHE  15   4.341  -8.056   4.359
  107    HB3  PHE  15           HB3      PHE  15   5.011  -8.872   2.954
  108    HD1  PHE  15           HD1      PHE  15   6.812 -10.351   3.239
  109    HD2  PHE  15           HD2      PHE  15   6.161  -7.257   6.173
  110    HE1  PHE  15           HE1      PHE  15   8.657 -11.267   4.624
  111    HE2  PHE  15           HE2      PHE  15   8.001  -8.176   7.554
  112    HZ   PHE  15           HZ       PHE  15   9.256 -10.183   6.783
  113    H    GLY  16           H        GLY  16   7.821  -6.167   4.141
  114    HA2  GLY  16           HA2      GLY  16  10.042  -6.421   3.628
  115    HA3  GLY  16           HA3      GLY  16   9.566  -7.629   2.433
  116    H    THR  17           H        THR  17   8.347  -4.360   2.069
  117    HA   THR  17           HA       THR  17  10.457  -3.525   0.219
  118    HB   THR  17           HB       THR  17   8.818  -4.819  -1.175
  119    HG1  THR  17           HG1      THR  17   8.697  -3.152  -2.703
  120   HG21  THR  17          HG21      THR  17   6.877  -2.575  -0.851
  121   HG22  THR  17          HG22      THR  17   6.685  -4.117  -1.680
  122   HG23  THR  17          HG23      THR  17   6.736  -4.078   0.093
  123    H    LYS  18           H        LYS  18  10.097  -1.345  -0.494
  124    HA   LYS  18           HA       LYS  18   8.593   0.464   1.363
  125    HB2  LYS  18           HB2      LYS  18  11.503   0.752   0.476
  126    HB3  LYS  18           HB3      LYS  18  10.595   2.018   1.299
  127    HG2  LYS  18           HG2      LYS  18  11.071  -0.756   2.428
  128    HG3  LYS  18           HG3      LYS  18  12.092   0.630   2.790
  129    HD2  LYS  18           HD2      LYS  18  10.567   1.615   4.201
  130    HD3  LYS  18           HD3      LYS  18   9.157   1.046   3.304
  131    HE2  LYS  18           HE2      LYS  18   9.569  -1.264   4.091
  132    HE3  LYS  18           HE3      LYS  18  10.930  -0.685   5.063
  133    HZ1  LYS  18           HZ1      LYS  18   8.944  -0.865   6.389
  134    HZ2  LYS  18           HZ2      LYS  18   9.325   0.732   6.284
  135    HZ3  LYS  18           HZ3      LYS  18   8.077   0.098   5.408
  136    H    THR  19           H        THR  19   8.852  -0.493  -1.608
  137    HA   THR  19           HA       THR  19   7.674   2.022  -2.714
  138    HB   THR  19           HB       THR  19   9.963   1.644  -3.662
  139    HG1  THR  19           HG1      THR  19   9.244   2.122  -5.722
  140   HG21  THR  19          HG21      THR  19  10.265  -0.035  -5.410
  141   HG22  THR  19          HG22      THR  19   9.880  -0.851  -3.886
  142   HG23  THR  19          HG23      THR  19   8.630  -0.677  -5.139
  143    H    CYS  20           H        CYS  20   6.108   1.670  -4.435
  144    HA   CYS  20           HA       CYS  20   4.573  -0.820  -3.942
  145    HB2  CYS  20           HB2      CYS  20   3.743   1.852  -5.090
  146    HB3  CYS  20           HB3      CYS  20   2.696   0.436  -5.021
  147    HA   PRO  21           HA       PRO  21   5.796  -2.311  -8.001
  148    HB2  PRO  21           HB2      PRO  21   3.831  -4.246  -8.348
  149    HB3  PRO  21           HB3      PRO  21   5.274  -4.474  -7.333
  150    HG2  PRO  21           HG2      PRO  21   2.526  -3.601  -6.469
  151    HG3  PRO  21           HG3      PRO  21   3.554  -4.828  -5.707
  152    HD2  PRO  21           HD2      PRO  21   3.328  -2.336  -4.747
  153    HD3  PRO  21           HD3      PRO  21   4.924  -3.142  -4.739
  154    H    SER  22           H        SER  22   5.502  -1.369  -9.828
  155    HA   SER  22           HA       SER  22   3.475   0.475 -10.381
  156    HB2  SER  22           HB2      SER  22   5.263  -0.924 -12.410
  157    HB3  SER  22           HB3      SER  22   4.561   0.695 -12.524
  158    HG   SER  22           HG       SER  22   5.884   1.362 -10.807
  159    H    ASN  23           H        ASN  23   3.633  -2.929 -11.270
  160    HA   ASN  23           HA       ASN  23   1.778  -2.763 -13.466
  161    HB2  ASN  23           HB2      ASN  23   2.753  -5.204 -11.920
  162    HB3  ASN  23           HB3      ASN  23   2.030  -5.197 -13.528
  163   HD21  ASN  23          HD21      ASN  23   3.274  -3.766 -15.208
  164   HD22  ASN  23          HD22      ASN  23   5.023  -3.872 -15.095
  165    H    ARG  24           H        ARG  24   1.124  -2.755 -10.128
  166    HA   ARG  24           HA       ARG  24  -1.427  -4.242 -10.257
  167    HB2  ARG  24           HB2      ARG  24  -0.461  -2.460  -8.029
  168    HB3  ARG  24           HB3      ARG  24  -1.604  -3.786  -7.926
  169    HG2  ARG  24           HG2      ARG  24   1.402  -3.941  -8.301
  170    HG3  ARG  24           HG3      ARG  24   0.473  -4.389  -6.861
  171    HD2  ARG  24           HD2      ARG  24  -0.502  -6.280  -8.062
  172    HD3  ARG  24           HD3      ARG  24   0.444  -5.809  -9.505
  173    HE   ARG  24           HE       ARG  24   2.098  -6.202  -7.160
  174   HH11  ARG  24          HH11      ARG  24   0.553  -8.004  -9.736
  175   HH12  ARG  24          HH12      ARG  24   1.760  -9.259  -9.705
  176   HH21  ARG  24          HH21      ARG  24   3.631  -7.821  -7.206
  177   HH22  ARG  24          HH22      ARG  24   3.439  -9.158  -8.297
  178    H    GLY  25           H        GLY  25  -0.478  -1.039 -10.910
  179    HA2  GLY  25           HA2      GLY  25  -1.753   0.711 -11.760
  180    HA3  GLY  25           HA3      GLY  25  -3.231  -0.186 -11.423
  181    H    TYR  26           H        TYR  26  -0.807   0.553  -8.910
  182    HA   TYR  26           HA       TYR  26  -2.765   1.818  -7.221
  183    HB2  TYR  26           HB2      TYR  26   0.266   1.711  -7.026
  184    HB3  TYR  26           HB3      TYR  26  -0.794   2.292  -5.743
  185    HD1  TYR  26           HD1      TYR  26   1.219  -0.369  -6.335
  186    HD2  TYR  26           HD2      TYR  26  -2.982   0.404  -5.587
  187    HE1  TYR  26           HE1      TYR  26   0.928  -2.643  -5.436
  188    HE2  TYR  26           HE2      TYR  26  -3.267  -1.933  -4.834
  189    HH   TYR  26           HH       TYR  26  -2.277  -3.991  -4.673
  190    H    THR  27           H        THR  27  -2.999   3.890  -6.499
  191    HA   THR  27           HA       THR  27  -1.959   6.068  -8.275
  192    HB   THR  27           HB       THR  27  -3.949   7.332  -7.627
  193    HG1  THR  27           HG1      THR  27  -5.575   6.312  -6.478
  194   HG21  THR  27          HG21      THR  27  -4.035   5.869  -9.648
  195   HG22  THR  27          HG22      THR  27  -4.723   4.565  -8.653
  196   HG23  THR  27          HG23      THR  27  -5.616   6.085  -8.879
  197    H    GLY  28           H        GLY  28  -1.787   4.867  -5.049
  198    HA2  GLY  28           HA2      GLY  28   0.108   6.910  -4.325
  199    HA3  GLY  28           HA3      GLY  28  -1.408   7.147  -3.467
  200    H    SER  29           H        SER  29   0.607   6.779  -1.869
  201    HA   SER  29           HA       SER  29   0.365   4.098  -0.709
  202    HB2  SER  29           HB2      SER  29   2.706   3.547  -0.877
  203    HB3  SER  29           HB3      SER  29   2.056   3.833  -2.500
  204    HG   SER  29           HG       SER  29   3.037   5.860  -2.520
  205    H    CYS  30           H        CYS  30   1.638   3.815   1.279
  206    HA   CYS  30           HA       CYS  30   2.983   6.104   2.418
  207    HB2  CYS  30           HB2      CYS  30   1.675   6.413   4.388
  208    HB3  CYS  30           HB3      CYS  30   0.544   6.488   3.034
  209    H    GLY  31           H        GLY  31   4.547   5.535   3.949
  210    HA2  GLY  31           HA2      GLY  31   5.362   2.791   4.059
  211    HA3  GLY  31           HA3      GLY  31   5.998   4.088   5.069
  212    H    TYR  32           H        TYR  32   4.974   1.176   5.573
  213    HA   TYR  32           HA       TYR  32   2.890   1.759   7.643
  214    HB2  TYR  32           HB2      TYR  32   2.482   0.459   5.322
  215    HB3  TYR  32           HB3      TYR  32   3.080  -0.894   6.260
  216    HD1  TYR  32           HD1      TYR  32   1.348  -2.184   7.297
  217    HD2  TYR  32           HD2      TYR  32   0.711   2.023   6.551
  218    HE1  TYR  32           HE1      TYR  32  -0.988  -2.389   8.118
  219    HE2  TYR  32           HE2      TYR  32  -1.616   1.813   7.392
  220    HH   TYR  32           HH       TYR  32  -2.957  -1.288   8.571
  221    H    PHE  33           H        PHE  33   2.717  -0.364   9.142
  222    HA   PHE  33           HA       PHE  33   5.195  -0.652  10.607
  223    HB2  PHE  33           HB2      PHE  33   2.964  -1.017  11.611
  224    HB3  PHE  33           HB3      PHE  33   2.751  -2.436  10.573
  225    HD1  PHE  33           HD1      PHE  33   5.338  -1.060  12.975
  226    HD2  PHE  33           HD2      PHE  33   3.144  -4.510  11.594
  227    HE1  PHE  33           HE1      PHE  33   6.486  -2.469  14.664
  228    HE2  PHE  33           HE2      PHE  33   4.280  -5.911  13.301
  229    HZ   PHE  33           HZ       PHE  33   5.960  -4.895  14.830
  230    H    LEU  34           H        LEU  34   6.875  -1.774  10.141
  231    HA   LEU  34           HA       LEU  34   8.410  -3.008   9.166
  232    HB2  LEU  34           HB2      LEU  34   6.280  -5.084   8.627
  233    HB3  LEU  34           HB3      LEU  34   8.020  -5.342   8.636
  234    HG   LEU  34           HG       LEU  34   6.363  -4.498  11.059
  235   HD11  LEU  34          HD11      LEU  34   7.568  -7.190  10.347
  236   HD12  LEU  34          HD12      LEU  34   6.719  -6.770  11.856
  237   HD13  LEU  34          HD13      LEU  34   5.838  -6.759  10.322
  238   HD21  LEU  34          HD21      LEU  34   8.672  -3.722  11.292
  239   HD22  LEU  34          HD22      LEU  34   8.376  -5.088  12.366
  240   HD23  LEU  34          HD23      LEU  34   9.284  -5.338  10.855
  241    H    GLY  35           H        GLY  35   5.596  -3.358   6.967
  242    HA2  GLY  35           HA2      GLY  35   7.369  -3.021   4.585
  243    HA3  GLY  35           HA3      GLY  35   5.742  -3.676   4.627
  244    H    ILE  36           H        ILE  36   4.673  -2.466   3.233
  245    HA   ILE  36           HA       ILE  36   4.282   0.443   3.677
  246    HB   ILE  36           HB       ILE  36   6.013   0.553   2.134
  247   HG12  ILE  36          HG12      ILE  36   3.577   0.613   0.306
  248   HG13  ILE  36          HG13      ILE  36   3.895   1.833   1.514
  249   HG21  ILE  36          HG21      ILE  36   4.690  -1.446   0.270
  250   HG22  ILE  36          HG22      ILE  36   6.289  -0.699   0.117
  251   HG23  ILE  36          HG23      ILE  36   5.993  -1.882   1.383
  252   HD11  ILE  36          HD11      ILE  36   4.705   2.677  -0.560
  253   HD12  ILE  36          HD12      ILE  36   6.126   2.268   0.409
  254   HD13  ILE  36          HD13      ILE  36   5.587   1.177  -0.905
  255    H    CYS  37           H        CYS  37   2.382   1.265   2.913
  256    HA   CYS  37           HA       CYS  37   0.204  -0.637   2.179
  257    HB2  CYS  37           HB2      CYS  37  -0.070   0.713   4.203
  258    HB3  CYS  37           HB3      CYS  37   0.364   2.167   3.326
  259    H    CYS  38           H        CYS  38  -0.596  -0.527   0.135
  260    HA   CYS  38           HA       CYS  38   0.028   1.796  -1.649
  261    HB2  CYS  38           HB2      CYS  38  -0.045  -1.136  -2.392
  262    HB3  CYS  38           HB3      CYS  38   0.291   0.205  -3.474
  263    H    TYR  39           H        TYR  39  -1.746   2.570  -2.752
  264    HA   TYR  39           HA       TYR  39  -4.308   1.095  -2.513
  265    HB2  TYR  39           HB2      TYR  39  -5.452   3.178  -1.782
  266    HB3  TYR  39           HB3      TYR  39  -4.387   2.438  -0.625
  267    HD1  TYR  39           HD1      TYR  39  -2.719   3.667   0.473
  268    HD2  TYR  39           HD2      TYR  39  -4.657   5.288  -3.029
  269    HE1  TYR  39           HE1      TYR  39  -1.737   5.899   0.966
  270    HE2  TYR  39           HE2      TYR  39  -3.691   7.526  -2.518
  271    HH   TYR  39           HH       TYR  39  -1.550   8.090   0.299
  272    HA   PRO  40           HA       PRO  40  -6.749   2.004  -3.008
  273    HB2  PRO  40           HB2      PRO  40  -8.420   0.878  -4.831
  274    HB3  PRO  40           HB3      PRO  40  -8.190   2.645  -4.673
  275    HG2  PRO  40           HG2      PRO  40  -6.802   0.759  -6.618
  276    HG3  PRO  40           HG3      PRO  40  -7.669   2.286  -6.993
  277    HD2  PRO  40           HD2      PRO  40  -4.981   2.253  -6.689
  278    HD3  PRO  40           HD3      PRO  40  -5.952   3.603  -6.035
  279    H    VAL  41           H        VAL  41  -7.748   0.053  -2.274
  280    HA   VAL  41           HA       VAL  41  -6.060  -2.229  -2.034
  281    HB   VAL  41           HB       VAL  41  -7.675  -1.446  -0.344
  282   HG11  VAL  41          HG11      VAL  41 -10.031  -1.922  -0.433
  283   HG12  VAL  41          HG12      VAL  41  -9.608  -0.893  -1.807
  284   HG13  VAL  41          HG13      VAL  41  -9.887  -2.631  -2.052
  285   HG21  VAL  41          HG21      VAL  41  -8.509  -3.620   0.397
  286   HG22  VAL  41          HG22      VAL  41  -8.147  -4.324  -1.190
  287   HG23  VAL  41          HG23      VAL  41  -6.837  -3.711  -0.147
  288    H    ASP  42           H        ASP  42  -6.014  -4.200  -3.039
  289    HA   ASP  42           HA       ASP  42  -7.332  -4.466  -5.645
  290    HB2  ASP  42           HB2      ASP  42  -4.960  -5.027  -5.358
  291    HB3  ASP  42           HB3      ASP  42  -5.389  -6.294  -4.209
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -4.585 -12.691   1.993
    2    H2   GLY   1           H2       GLY   1  -3.013 -12.653   2.449
    3    H3   GLY   1           H3       GLY   1  -3.402 -12.836   0.867
    4    HA2  GLY   1           HA2      GLY   1  -2.650 -10.587   1.274
    5    HA3  GLY   1           HA3      GLY   1  -4.347 -10.632   0.762
    6    H    THR   2           H        THR   2  -3.019  -8.545   2.289
    7    HA   THR   2           HA       THR   2  -4.702  -8.501   4.757
    8    HB   THR   2           HB       THR   2  -1.752  -7.753   4.678
    9    HG1  THR   2           HG1      THR   2  -3.037  -9.988   5.864
   10   HG21  THR   2          HG21      THR   2  -3.733  -7.924   6.993
   11   HG22  THR   2          HG22      THR   2  -1.973  -7.721   7.164
   12   HG23  THR   2          HG23      THR   2  -2.927  -6.463   6.378
   13    H    THR   3           H        THR   3  -5.638  -6.522   5.146
   14    HA   THR   3           HA       THR   3  -5.400  -4.423   3.174
   15    HB   THR   3           HB       THR   3  -6.956  -3.357   5.171
   16    HG1  THR   3           HG1      THR   3  -8.229  -5.032   5.970
   17   HG21  THR   3          HG21      THR   3  -8.871  -4.286   3.875
   18   HG22  THR   3          HG22      THR   3  -7.602  -3.532   2.887
   19   HG23  THR   3          HG23      THR   3  -7.721  -5.309   2.977
   20    H    CYS   4           H        CYS   4  -5.141  -2.227   3.631
   21    HA   CYS   4           HA       CYS   4  -3.731  -1.488   6.098
   22    HB2  CYS   4           HB2      CYS   4  -1.953  -0.363   5.029
   23    HB3  CYS   4           HB3      CYS   4  -2.027  -1.950   4.303
   24    H    TYR   5           H        TYR   5  -3.778   0.901   6.532
   25    HA   TYR   5           HA       TYR   5  -5.890   2.372   5.003
   26    HB2  TYR   5           HB2      TYR   5  -5.748   2.071   8.024
   27    HB3  TYR   5           HB3      TYR   5  -6.791   3.193   7.171
   28    HD1  TYR   5           HD1      TYR   5  -6.171  -0.398   7.898
   29    HD2  TYR   5           HD2      TYR   5  -8.854   2.485   6.132
   30    HE1  TYR   5           HE1      TYR   5  -7.968  -2.127   7.795
   31    HE2  TYR   5           HE2      TYR   5 -10.655   0.770   6.069
   32    HH   TYR   5           HH       TYR   5 -11.245  -1.396   6.546
   33    H    CYS   6           H        CYS   6  -5.343   4.399   4.493
   34    HA   CYS   6           HA       CYS   6  -3.696   6.000   6.368
   35    HB2  CYS   6           HB2      CYS   6  -2.686   4.924   3.804
   36    HB3  CYS   6           HB3      CYS   6  -2.498   6.662   3.944
   37    H    GLY   7           H        GLY   7  -4.361   8.094   6.478
   38    HA2  GLY   7           HA2      GLY   7  -5.544  10.022   6.022
   39    HA3  GLY   7           HA3      GLY   7  -5.060   9.756   4.344
   40    H    LYS   8           H        LYS   8  -7.286   7.861   6.389
   41    HA   LYS   8           HA       LYS   8  -9.329   6.947   6.028
   42    HB2  LYS   8           HB2      LYS   8 -10.001   9.622   4.767
   43    HB3  LYS   8           HB3      LYS   8 -11.161   8.397   5.286
   44    HG2  LYS   8           HG2      LYS   8 -10.405   8.610   7.625
   45    HG3  LYS   8           HG3      LYS   8  -9.192   9.801   7.144
   46    HD2  LYS   8           HD2      LYS   8 -11.071  10.954   8.098
   47    HD3  LYS   8           HD3      LYS   8 -10.973  11.336   6.374
   48    HE2  LYS   8           HE2      LYS   8 -12.777   9.692   5.906
   49    HE3  LYS   8           HE3      LYS   8 -12.841   9.264   7.620
   50    HZ1  LYS   8           HZ1      LYS   8 -13.453  11.955   6.512
   51    HZ2  LYS   8           HZ2      LYS   8 -14.562  10.880   7.037
   52    HZ3  LYS   8           HZ3      LYS   8 -13.522  11.556   8.096
   53    H    THR   9           H        THR   9  -7.281   6.635   3.897
   54    HA   THR   9           HA       THR   9  -9.018   5.555   1.723
   55    HB   THR   9           HB       THR   9  -6.108   6.422   1.453
   56    HG1  THR   9           HG1      THR   9  -7.466   8.210   1.707
   57   HG21  THR   9          HG21      THR   9  -6.622   6.236  -0.970
   58   HG22  THR   9          HG22      THR   9  -6.765   4.677  -0.146
   59   HG23  THR   9          HG23      THR   9  -8.231   5.588  -0.581
   60    H    ILE  10           H        ILE  10  -9.213   3.469   2.004
   61    HA   ILE  10           HA       ILE  10  -7.283   1.782   3.384
   62    HB   ILE  10           HB       ILE  10  -9.711   1.469   3.546
   63   HG12  ILE  10          HG12      ILE  10  -8.306  -0.929   2.290
   64   HG13  ILE  10          HG13      ILE  10  -8.277  -0.448   3.992
   65   HG21  ILE  10          HG21      ILE  10 -10.218   2.175   1.200
   66   HG22  ILE  10          HG22      ILE  10  -9.624   0.597   0.639
   67   HG23  ILE  10          HG23      ILE  10 -11.058   0.706   1.691
   68   HD11  ILE  10          HD11      ILE  10 -10.647  -1.494   2.404
   69   HD12  ILE  10          HD12      ILE  10  -9.862  -2.213   3.817
   70   HD13  ILE  10          HD13      ILE  10 -10.816  -0.734   4.004
   71    H    GLY  11           H        GLY  11  -5.980   0.179   2.490
   72    HA2  GLY  11           HA2      GLY  11  -5.728  -0.078  -0.458
   73    HA3  GLY  11           HA3      GLY  11  -4.325   0.414   0.481
   74    H    ILE  12           H        ILE  12  -3.553  -1.477  -0.615
   75    HA   ILE  12           HA       ILE  12  -3.953  -4.022   0.852
   76    HB   ILE  12           HB       ILE  12  -3.584  -3.361  -1.918
   77   HG12  ILE  12          HG12      ILE  12  -5.087  -5.028  -1.168
   78   HG13  ILE  12          HG13      ILE  12  -3.944  -5.679  -2.338
   79   HG21  ILE  12          HG21      ILE  12  -1.749  -4.849  -2.569
   80   HG22  ILE  12          HG22      ILE  12  -1.265  -3.323  -1.795
   81   HG23  ILE  12          HG23      ILE  12  -1.180  -4.878  -0.907
   82   HD11  ILE  12          HD11      ILE  12  -4.276  -7.366  -0.697
   83   HD12  ILE  12          HD12      ILE  12  -2.649  -6.714  -0.417
   84   HD13  ILE  12          HD13      ILE  12  -4.012  -6.236   0.629
   85    H    TYR  13           H        TYR  13  -2.267  -4.927   1.940
   86    HA   TYR  13           HA       TYR  13   0.043  -3.141   2.569
   87    HB2  TYR  13           HB2      TYR  13  -1.169  -3.958   4.490
   88    HB3  TYR  13           HB3      TYR  13  -1.049  -5.612   3.920
   89    HD1  TYR  13           HD1      TYR  13   1.321  -2.745   4.623
   90    HD2  TYR  13           HD2      TYR  13   0.475  -6.961   5.011
   91    HE1  TYR  13           HE1      TYR  13   3.466  -3.075   5.858
   92    HE2  TYR  13           HE2      TYR  13   2.595  -7.272   6.265
   93    HH   TYR  13           HH       TYR  13   4.452  -6.283   7.110
   94    H    TRP  14           H        TRP  14   1.994  -3.455   1.803
   95    HA   TRP  14           HA       TRP  14   2.773  -6.089   0.593
   96    HB2  TRP  14           HB2      TRP  14   3.558  -3.250  -0.093
   97    HB3  TRP  14           HB3      TRP  14   4.520  -4.633  -0.571
   98    HD1  TRP  14           HD1      TRP  14   1.279  -2.879  -1.381
   99    HE1  TRP  14           HE1      TRP  14   0.272  -3.849  -3.558
  100    HE3  TRP  14           HE3      TRP  14   4.483  -6.813  -2.090
  101    HZ2  TRP  14           HZ2      TRP  14   0.811  -6.002  -5.363
  102    HZ3  TRP  14           HZ3      TRP  14   4.215  -8.308  -4.060
  103    HH2  TRP  14           HH2      TRP  14   2.386  -7.920  -5.696
  104    H    PHE  15           H        PHE  15   4.102  -7.224   1.793
  105    HA   PHE  15           HA       PHE  15   5.883  -5.916   3.787
  106    HB2  PHE  15           HB2      PHE  15   4.407  -7.644   4.650
  107    HB3  PHE  15           HB3      PHE  15   4.969  -8.784   3.440
  108    HD1  PHE  15           HD1      PHE  15   6.410 -10.432   4.251
  109    HD2  PHE  15           HD2      PHE  15   6.571  -6.495   6.016
  110    HE1  PHE  15           HE1      PHE  15   8.187 -11.194   5.807
  111    HE2  PHE  15           HE2      PHE  15   8.341  -7.266   7.570
  112    HZ   PHE  15           HZ       PHE  15   9.153  -9.615   7.468
  113    H    GLY  16           H        GLY  16   8.081  -6.230   3.805
  114    HA2  GLY  16           HA2      GLY  16  10.191  -6.904   3.126
  115    HA3  GLY  16           HA3      GLY  16   9.457  -8.088   2.044
  116    H    THR  17           H        THR  17   8.525  -4.741   1.704
  117    HA   THR  17           HA       THR  17  10.521  -4.107  -0.344
  118    HB   THR  17           HB       THR  17   8.567  -5.145  -1.562
  119    HG1  THR  17           HG1      THR  17   8.511  -3.423  -3.044
  120   HG21  THR  17          HG21      THR  17   7.062  -2.625  -0.845
  121   HG22  THR  17          HG22      THR  17   6.518  -3.988  -1.833
  122   HG23  THR  17          HG23      THR  17   6.752  -4.203  -0.086
  123    H    LYS  18           H        LYS  18  10.319  -1.845  -0.956
  124    HA   LYS  18           HA       LYS  18   9.479  -0.072   1.318
  125    HB2  LYS  18           HB2      LYS  18  11.978  -0.519   0.953
  126    HB3  LYS  18           HB3      LYS  18  11.836   0.343  -0.566
  127    HG2  LYS  18           HG2      LYS  18  12.754   1.761   1.196
  128    HG3  LYS  18           HG3      LYS  18  11.235   2.404   0.595
  129    HD2  LYS  18           HD2      LYS  18  11.455   2.622   3.045
  130    HD3  LYS  18           HD3      LYS  18  10.054   1.647   2.607
  131    HE2  LYS  18           HE2      LYS  18  11.359  -0.430   3.072
  132    HE3  LYS  18           HE3      LYS  18  12.772   0.553   3.481
  133    HZ1  LYS  18           HZ1      LYS  18  11.555  -0.114   5.469
  134    HZ2  LYS  18           HZ2      LYS  18  11.485   1.508   5.321
  135    HZ3  LYS  18           HZ3      LYS  18  10.182   0.592   4.944
  136    H    THR  19           H        THR  19   9.024  -0.684  -1.980
  137    HA   THR  19           HA       THR  19   7.533   1.873  -2.343
  138    HB   THR  19           HB       THR  19   9.741   1.880  -3.564
  139    HG1  THR  19           HG1      THR  19   8.772   2.786  -5.361
  140   HG21  THR  19          HG21      THR  19   9.711  -0.498  -4.366
  141   HG22  THR  19          HG22      THR  19   8.336  -0.100  -5.421
  142   HG23  THR  19          HG23      THR  19   9.914   0.678  -5.675
  143    H    CYS  20           H        CYS  20   5.925   1.736  -4.148
  144    HA   CYS  20           HA       CYS  20   4.442  -0.815  -3.928
  145    HB2  CYS  20           HB2      CYS  20   3.597   1.927  -4.900
  146    HB3  CYS  20           HB3      CYS  20   2.551   0.506  -4.879
  147    HA   PRO  21           HA       PRO  21   5.678  -1.820  -8.116
  148    HB2  PRO  21           HB2      PRO  21   4.087  -3.990  -8.594
  149    HB3  PRO  21           HB3      PRO  21   5.456  -4.033  -7.437
  150    HG2  PRO  21           HG2      PRO  21   2.518  -3.606  -6.836
  151    HG3  PRO  21           HG3      PRO  21   3.654  -4.707  -6.007
  152    HD2  PRO  21           HD2      PRO  21   3.079  -2.273  -4.981
  153    HD3  PRO  21           HD3      PRO  21   4.718  -2.979  -4.863
  154    H    SER  22           H        SER  22   5.246  -0.603  -9.735
  155    HA   SER  22           HA       SER  22   2.968   0.870 -10.267
  156    HB2  SER  22           HB2      SER  22   4.959  -0.164 -12.328
  157    HB3  SER  22           HB3      SER  22   3.985   1.311 -12.411
  158    HG   SER  22           HG       SER  22   6.131   1.754 -11.736
  159    H    ASN  23           H        ASN  23   3.648  -2.425 -11.315
  160    HA   ASN  23           HA       ASN  23   1.701  -2.523 -13.431
  161    HB2  ASN  23           HB2      ASN  23   3.050  -4.823 -11.955
  162    HB3  ASN  23           HB3      ASN  23   2.306  -4.875 -13.553
  163   HD21  ASN  23          HD21      ASN  23   3.322  -3.186 -15.185
  164   HD22  ASN  23          HD22      ASN  23   5.074  -3.092 -15.106
  165    H    ARG  24           H        ARG  24   1.104  -2.480 -10.118
  166    HA   ARG  24           HA       ARG  24  -1.521  -3.927 -10.389
  167    HB2  ARG  24           HB2      ARG  24   0.249  -3.156  -8.090
  168    HB3  ARG  24           HB3      ARG  24  -1.485  -3.087  -7.833
  169    HG2  ARG  24           HG2      ARG  24  -0.727  -5.181  -7.065
  170    HG3  ARG  24           HG3      ARG  24  -1.735  -5.453  -8.474
  171    HD2  ARG  24           HD2      ARG  24   1.313  -5.435  -8.557
  172    HD3  ARG  24           HD3      ARG  24   0.351  -6.877  -8.219
  173    HE   ARG  24           HE       ARG  24  -0.170  -5.352 -10.726
  174   HH11  ARG  24          HH11      ARG  24   0.995  -8.378  -9.391
  175   HH12  ARG  24          HH12      ARG  24   0.992  -9.143 -10.957
  176   HH21  ARG  24          HH21      ARG  24  -0.106  -6.323 -12.617
  177   HH22  ARG  24          HH22      ARG  24   0.360  -8.004 -12.755
  178    H    GLY  25           H        GLY  25  -0.325  -0.816 -10.886
  179    HA2  GLY  25           HA2      GLY  25  -1.502   1.004 -11.648
  180    HA3  GLY  25           HA3      GLY  25  -3.005   0.097 -11.458
  181    H    TYR  26           H        TYR  26  -0.751   0.759  -8.793
  182    HA   TYR  26           HA       TYR  26  -2.806   1.831  -7.121
  183    HB2  TYR  26           HB2      TYR  26   0.219   1.822  -6.871
  184    HB3  TYR  26           HB3      TYR  26  -0.871   2.324  -5.577
  185    HD1  TYR  26           HD1      TYR  26   1.142  -0.328  -6.493
  186    HD2  TYR  26           HD2      TYR  26  -2.954   0.447  -5.326
  187    HE1  TYR  26           HE1      TYR  26   0.898  -2.662  -5.694
  188    HE2  TYR  26           HE2      TYR  26  -3.189  -1.914  -4.607
  189    HH   TYR  26           HH       TYR  26  -2.203  -3.973  -4.554
  190    H    THR  27           H        THR  27  -3.197   3.867  -6.333
  191    HA   THR  27           HA       THR  27  -2.306   6.134  -8.068
  192    HB   THR  27           HB       THR  27  -4.754   5.470  -7.848
  193    HG1  THR  27           HG1      THR  27  -5.349   7.616  -7.959
  194   HG21  THR  27          HG21      THR  27  -4.613   7.071  -5.257
  195   HG22  THR  27          HG22      THR  27  -6.040   6.334  -6.014
  196   HG23  THR  27          HG23      THR  27  -4.781   5.307  -5.314
  197    H    GLY  28           H        GLY  28  -1.906   4.889  -4.876
  198    HA2  GLY  28           HA2      GLY  28   0.030   6.897  -4.220
  199    HA3  GLY  28           HA3      GLY  28  -1.447   7.166  -3.301
  200    H    SER  29           H        SER  29   0.608   6.756  -1.792
  201    HA   SER  29           HA       SER  29   0.389   4.059  -0.629
  202    HB2  SER  29           HB2      SER  29   2.755   3.583  -0.860
  203    HB3  SER  29           HB3      SER  29   2.022   3.838  -2.459
  204    HG   SER  29           HG       SER  29   4.021   4.941  -2.279
  205    H    CYS  30           H        CYS  30   1.678   3.782   1.331
  206    HA   CYS  30           HA       CYS  30   3.024   6.074   2.467
  207    HB2  CYS  30           HB2      CYS  30   1.707   6.371   4.451
  208    HB3  CYS  30           HB3      CYS  30   0.608   6.503   3.077
  209    H    GLY  31           H        GLY  31   4.569   5.513   4.018
  210    HA2  GLY  31           HA2      GLY  31   5.352   2.758   4.178
  211    HA3  GLY  31           HA3      GLY  31   6.000   4.063   5.167
  212    H    TYR  32           H        TYR  32   4.894   1.182   5.695
  213    HA   TYR  32           HA       TYR  32   2.777   1.835   7.708
  214    HB2  TYR  32           HB2      TYR  32   2.448   0.432   5.428
  215    HB3  TYR  32           HB3      TYR  32   3.015  -0.873   6.446
  216    HD1  TYR  32           HD1      TYR  32   1.232  -2.132   7.412
  217    HD2  TYR  32           HD2      TYR  32   0.660   2.070   6.606
  218    HE1  TYR  32           HE1      TYR  32  -1.124  -2.301   8.191
  219    HE2  TYR  32           HE2      TYR  32  -1.692   1.895   7.398
  220    HH   TYR  32           HH       TYR  32  -3.084  -1.171   8.602
  221    H    PHE  33           H        PHE  33   2.620  -0.449   9.156
  222    HA   PHE  33           HA       PHE  33   5.050  -0.533  10.759
  223    HB2  PHE  33           HB2      PHE  33   2.820  -1.048  11.680
  224    HB3  PHE  33           HB3      PHE  33   2.731  -2.468  10.628
  225    HD1  PHE  33           HD1      PHE  33   5.042  -0.940  13.201
  226    HD2  PHE  33           HD2      PHE  33   3.318  -4.541  11.562
  227    HE1  PHE  33           HE1      PHE  33   6.210  -2.289  14.929
  228    HE2  PHE  33           HE2      PHE  33   4.474  -5.883  13.305
  229    HZ   PHE  33           HZ       PHE  33   5.926  -4.760  14.984
  230    H    LEU  34           H        LEU  34   6.836  -1.449  10.225
  231    HA   LEU  34           HA       LEU  34   8.462  -2.568   9.286
  232    HB2  LEU  34           HB2      LEU  34   6.559  -4.878   8.860
  233    HB3  LEU  34           HB3      LEU  34   8.316  -4.949   8.877
  234    HG   LEU  34           HG       LEU  34   6.556  -4.210  11.258
  235   HD11  LEU  34          HD11      LEU  34   6.353  -6.557  10.610
  236   HD12  LEU  34          HD12      LEU  34   8.125  -6.742  10.667
  237   HD13  LEU  34          HD13      LEU  34   7.206  -6.382  12.151
  238   HD21  LEU  34          HD21      LEU  34   8.740  -3.125  11.469
  239   HD22  LEU  34          HD22      LEU  34   8.618  -4.474  12.597
  240   HD23  LEU  34          HD23      LEU  34   9.564  -4.661  11.101
  241    H    GLY  35           H        GLY  35   5.706  -3.422   7.162
  242    HA2  GLY  35           HA2      GLY  35   7.332  -3.010   4.708
  243    HA3  GLY  35           HA3      GLY  35   5.723  -3.705   4.833
  244    H    ILE  36           H        ILE  36   4.835  -2.500   3.251
  245    HA   ILE  36           HA       ILE  36   4.317   0.401   3.758
  246    HB   ILE  36           HB       ILE  36   6.050   0.568   2.251
  247   HG12  ILE  36          HG12      ILE  36   3.642   0.519   0.381
  248   HG13  ILE  36          HG13      ILE  36   3.919   1.775   1.568
  249   HG21  ILE  36          HG21      ILE  36   6.273  -1.804   1.554
  250   HG22  ILE  36          HG22      ILE  36   4.863  -1.600   0.491
  251   HG23  ILE  36          HG23      ILE  36   6.363  -0.700   0.195
  252   HD11  ILE  36          HD11      ILE  36   6.150   2.234   0.453
  253   HD12  ILE  36          HD12      ILE  36   5.605   1.132  -0.850
  254   HD13  ILE  36          HD13      ILE  36   4.706   2.615  -0.494
  255    H    CYS  37           H        CYS  37   2.424   1.231   2.994
  256    HA   CYS  37           HA       CYS  37   0.231  -0.662   2.286
  257    HB2  CYS  37           HB2      CYS  37  -0.052   0.675   4.290
  258    HB3  CYS  37           HB3      CYS  37   0.414   2.130   3.433
  259    H    CYS  38           H        CYS  38  -0.617  -0.555   0.257
  260    HA   CYS  38           HA       CYS  38   0.008   1.749  -1.558
  261    HB2  CYS  38           HB2      CYS  38  -0.106  -1.193  -2.257
  262    HB3  CYS  38           HB3      CYS  38   0.230   0.120  -3.372
  263    H    TYR  39           H        TYR  39  -1.796   2.560  -2.595
  264    HA   TYR  39           HA       TYR  39  -4.348   1.053  -2.329
  265    HB2  TYR  39           HB2      TYR  39  -5.474   3.155  -1.598
  266    HB3  TYR  39           HB3      TYR  39  -4.421   2.386  -0.446
  267    HD1  TYR  39           HD1      TYR  39  -2.628   3.525   0.585
  268    HD2  TYR  39           HD2      TYR  39  -4.716   5.291  -2.754
  269    HE1  TYR  39           HE1      TYR  39  -1.599   5.730   1.111
  270    HE2  TYR  39           HE2      TYR  39  -3.692   7.501  -2.217
  271    HH   TYR  39           HH       TYR  39  -1.413   7.940   0.511
  272    HA   PRO  40           HA       PRO  40  -6.769   1.822  -2.730
  273    HB2  PRO  40           HB2      PRO  40  -8.509   0.744  -4.509
  274    HB3  PRO  40           HB3      PRO  40  -8.290   2.511  -4.320
  275    HG2  PRO  40           HG2      PRO  40  -6.968   0.683  -6.367
  276    HG3  PRO  40           HG3      PRO  40  -7.874   2.204  -6.672
  277    HD2  PRO  40           HD2      PRO  40  -5.168   2.195  -6.479
  278    HD3  PRO  40           HD3      PRO  40  -6.134   3.528  -5.787
  279    H    VAL  41           H        VAL  41  -7.732  -0.214  -2.102
  280    HA   VAL  41           HA       VAL  41  -5.971  -2.429  -1.964
  281    HB   VAL  41           HB       VAL  41  -7.686  -1.764  -0.296
  282   HG11  VAL  41          HG11      VAL  41  -9.743  -3.093  -2.091
  283   HG12  VAL  41          HG12      VAL  41  -9.995  -2.416  -0.471
  284   HG13  VAL  41          HG13      VAL  41  -9.609  -1.342  -1.822
  285   HG21  VAL  41          HG21      VAL  41  -6.684  -3.945  -0.088
  286   HG22  VAL  41          HG22      VAL  41  -8.382  -4.018   0.372
  287   HG23  VAL  41          HG23      VAL  41  -7.881  -4.653  -1.205
  288    H    ASP  42           H        ASP  42  -5.875  -4.390  -3.002
  289    HA   ASP  42           HA       ASP  42  -6.917  -4.523  -5.721
  290    HB2  ASP  42           HB2      ASP  42  -4.613  -5.170  -5.174
  291    HB3  ASP  42           HB3      ASP  42  -5.208  -6.471  -4.146
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -3.893 -12.543   0.476
    2    H2   GLY   1           H2       GLY   1  -5.075 -12.409   1.605
    3    H3   GLY   1           H3       GLY   1  -3.508 -12.510   2.069
    4    HA2  GLY   1           HA2      GLY   1  -2.998 -10.387   1.063
    5    HA3  GLY   1           HA3      GLY   1  -4.689 -10.280   0.538
    6    H    THR   2           H        THR   2  -3.124  -8.493   2.303
    7    HA   THR   2           HA       THR   2  -4.844  -8.527   4.756
    8    HB   THR   2           HB       THR   2  -1.863  -7.921   4.671
    9    HG1  THR   2           HG1      THR   2  -1.684  -9.828   5.848
   10   HG21  THR   2          HG21      THR   2  -2.972  -6.639   6.448
   11   HG22  THR   2          HG22      THR   2  -3.825  -8.098   7.005
   12   HG23  THR   2          HG23      THR   2  -2.058  -7.970   7.160
   13    H    THR   3           H        THR   3  -5.697  -6.539   5.313
   14    HA   THR   3           HA       THR   3  -5.474  -4.397   3.396
   15    HB   THR   3           HB       THR   3  -6.999  -3.362   5.431
   16    HG1  THR   3           HG1      THR   3  -8.277  -5.050   6.197
   17   HG21  THR   3          HG21      THR   3  -8.927  -4.257   4.118
   18   HG22  THR   3          HG22      THR   3  -7.661  -3.479   3.148
   19   HG23  THR   3          HG23      THR   3  -7.779  -5.256   3.192
   20    H    CYS   4           H        CYS   4  -5.169  -2.243   3.821
   21    HA   CYS   4           HA       CYS   4  -3.728  -1.443   6.256
   22    HB2  CYS   4           HB2      CYS   4  -1.914  -0.463   5.144
   23    HB3  CYS   4           HB3      CYS   4  -2.097  -2.031   4.383
   24    H    TYR   5           H        TYR   5  -3.594   1.039   6.438
   25    HA   TYR   5           HA       TYR   5  -5.809   2.426   5.009
   26    HB2  TYR   5           HB2      TYR   5  -5.512   2.322   8.034
   27    HB3  TYR   5           HB3      TYR   5  -6.595   3.383   7.155
   28    HD1  TYR   5           HD1      TYR   5  -5.960  -0.132   8.160
   29    HD2  TYR   5           HD2      TYR   5  -8.688   2.593   6.218
   30    HE1  TYR   5           HE1      TYR   5  -7.747  -1.862   8.248
   31    HE2  TYR   5           HE2      TYR   5 -10.488   0.871   6.347
   32    HH   TYR   5           HH       TYR   5  -9.935  -2.365   7.785
   33    H    CYS   6           H        CYS   6  -5.306   4.436   4.392
   34    HA   CYS   6           HA       CYS   6  -3.596   6.134   6.110
   35    HB2  CYS   6           HB2      CYS   6  -2.708   5.044   3.484
   36    HB3  CYS   6           HB3      CYS   6  -2.468   6.770   3.691
   37    H    GLY   7           H        GLY   7  -4.313   8.213   6.160
   38    HA2  GLY   7           HA2      GLY   7  -5.466  10.137   5.619
   39    HA3  GLY   7           HA3      GLY   7  -4.940   9.791   3.969
   40    H    LYS   8           H        LYS   8  -7.338   8.200   6.097
   41    HA   LYS   8           HA       LYS   8  -9.439   7.426   5.775
   42    HB2  LYS   8           HB2      LYS   8  -9.683  10.046   5.588
   43    HB3  LYS   8           HB3      LYS   8 -10.103   9.688   3.911
   44    HG2  LYS   8           HG2      LYS   8 -11.847   8.015   4.941
   45    HG3  LYS   8           HG3      LYS   8 -11.519   8.828   6.468
   46    HD2  LYS   8           HD2      LYS   8 -12.558  10.119   3.905
   47    HD3  LYS   8           HD3      LYS   8 -13.519   9.724   5.337
   48    HE2  LYS   8           HE2      LYS   8 -12.174  11.317   6.688
   49    HE3  LYS   8           HE3      LYS   8 -11.209  11.719   5.261
   50    HZ1  LYS   8           HZ1      LYS   8 -13.241  12.548   4.199
   51    HZ2  LYS   8           HZ2      LYS   8 -14.133  12.182   5.518
   52    HZ3  LYS   8           HZ3      LYS   8 -12.984  13.336   5.603
   53    H    THR   9           H        THR   9  -7.327   6.666   3.769
   54    HA   THR   9           HA       THR   9  -9.095   5.469   1.681
   55    HB   THR   9           HB       THR   9  -6.189   6.273   1.272
   56    HG1  THR   9           HG1      THR   9  -7.462   8.116   1.448
   57   HG21  THR   9          HG21      THR   9  -8.392   5.421  -0.661
   58   HG22  THR   9          HG22      THR   9  -6.741   5.915  -1.098
   59   HG23  THR   9          HG23      THR   9  -7.000   4.433  -0.169
   60    H    ILE  10           H        ILE  10  -9.302   3.415   2.111
   61    HA   ILE  10           HA       ILE  10  -7.332   1.793   3.531
   62    HB   ILE  10           HB       ILE  10  -9.759   1.493   3.776
   63   HG12  ILE  10          HG12      ILE  10  -8.393  -0.965   2.594
   64   HG13  ILE  10          HG13      ILE  10  -8.297  -0.400   4.267
   65   HG21  ILE  10          HG21      ILE  10  -9.751   0.477   0.914
   66   HG22  ILE  10          HG22      ILE  10 -11.156   0.633   2.000
   67   HG23  ILE  10          HG23      ILE  10 -10.336   2.078   1.413
   68   HD11  ILE  10          HD11      ILE  10 -10.731  -1.517   2.837
   69   HD12  ILE  10          HD12      ILE  10  -9.885  -2.165   4.250
   70   HD13  ILE  10          HD13      ILE  10 -10.827  -0.676   4.404
   71    H    GLY  11           H        GLY  11  -6.043   0.182   2.681
   72    HA2  GLY  11           HA2      GLY  11  -5.785  -0.124  -0.269
   73    HA3  GLY  11           HA3      GLY  11  -4.401   0.373   0.689
   74    H    ILE  12           H        ILE  12  -3.687  -1.549  -0.454
   75    HA   ILE  12           HA       ILE  12  -4.050  -4.084   1.030
   76    HB   ILE  12           HB       ILE  12  -3.705  -3.402  -1.757
   77   HG12  ILE  12          HG12      ILE  12  -5.256  -5.020  -0.965
   78   HG13  ILE  12          HG13      ILE  12  -4.172  -5.689  -2.183
   79   HG21  ILE  12          HG21      ILE  12  -1.341  -5.007  -0.766
   80   HG22  ILE  12          HG22      ILE  12  -1.917  -4.936  -2.432
   81   HG23  ILE  12          HG23      ILE  12  -1.377  -3.445  -1.633
   82   HD11  ILE  12          HD11      ILE  12  -4.140  -6.295   0.778
   83   HD12  ILE  12          HD12      ILE  12  -4.523  -7.389  -0.549
   84   HD13  ILE  12          HD13      ILE  12  -2.857  -6.817  -0.343
   85    H    TYR  13           H        TYR  13  -2.337  -5.007   2.050
   86    HA   TYR  13           HA       TYR  13  -0.016  -3.228   2.641
   87    HB2  TYR  13           HB2      TYR  13  -1.199  -4.053   4.576
   88    HB3  TYR  13           HB3      TYR  13  -1.063  -5.711   4.009
   89    HD1  TYR  13           HD1      TYR  13   1.099  -2.758   4.907
   90    HD2  TYR  13           HD2      TYR  13   0.724  -7.055   4.696
   91    HE1  TYR  13           HE1      TYR  13   3.285  -3.009   6.085
   92    HE2  TYR  13           HE2      TYR  13   2.906  -7.299   5.872
   93    HH   TYR  13           HH       TYR  13   4.627  -4.499   7.196
   94    H    TRP  14           H        TRP  14   1.934  -3.542   1.897
   95    HA   TRP  14           HA       TRP  14   2.774  -6.202   0.805
   96    HB2  TRP  14           HB2      TRP  14   3.433  -3.368  -0.004
   97    HB3  TRP  14           HB3      TRP  14   4.421  -4.744  -0.489
   98    HD1  TRP  14           HD1      TRP  14   1.227  -2.967  -1.295
   99    HE1  TRP  14           HE1      TRP  14   0.130  -4.016  -3.395
  100    HE3  TRP  14           HE3      TRP  14   4.213  -7.093  -1.794
  101    HZ2  TRP  14           HZ2      TRP  14   0.474  -6.364  -5.002
  102    HZ3  TRP  14           HZ3      TRP  14   3.804  -8.730  -3.619
  103    HH2  TRP  14           HH2      TRP  14   1.939  -8.386  -5.220
  104    H    PHE  15           H        PHE  15   4.486  -7.169   1.714
  105    HA   PHE  15           HA       PHE  15   5.807  -5.883   4.049
  106    HB2  PHE  15           HB2      PHE  15   4.701  -7.974   4.480
  107    HB3  PHE  15           HB3      PHE  15   5.503  -8.752   3.125
  108    HD1  PHE  15           HD1      PHE  15   7.598  -9.845   3.404
  109    HD2  PHE  15           HD2      PHE  15   6.184  -7.137   6.449
  110    HE1  PHE  15           HE1      PHE  15   9.473 -10.523   4.884
  111    HE2  PHE  15           HE2      PHE  15   8.059  -7.813   7.921
  112    HZ   PHE  15           HZ       PHE  15   9.709  -9.508   7.145
  113    H    GLY  16           H        GLY  16   7.968  -5.582   4.225
  114    HA2  GLY  16           HA2      GLY  16  10.204  -5.535   3.845
  115    HA3  GLY  16           HA3      GLY  16   9.981  -6.990   2.885
  116    H    THR  17           H        THR  17   8.307  -5.370   0.906
  117    HA   THR  17           HA       THR  17  10.378  -4.900  -0.963
  118    HB   THR  17           HB       THR  17   8.162  -5.725  -1.543
  119    HG1  THR  17           HG1      THR  17   7.879  -4.481  -3.381
  120   HG21  THR  17          HG21      THR  17   7.152  -2.918  -0.950
  121   HG22  THR  17          HG22      THR  17   6.244  -4.184  -1.789
  122   HG23  THR  17          HG23      THR  17   6.702  -4.402  -0.093
  123    H    LYS  18           H        LYS  18   8.920  -2.638   1.206
  124    HA   LYS  18           HA       LYS  18   9.088  -0.433   1.642
  125    HB2  LYS  18           HB2      LYS  18  11.541  -1.150   1.553
  126    HB3  LYS  18           HB3      LYS  18  11.611  -0.357  -0.025
  127    HG2  LYS  18           HG2      LYS  18  10.891   1.796   1.098
  128    HG3  LYS  18           HG3      LYS  18  10.881   0.938   2.642
  129    HD2  LYS  18           HD2      LYS  18  12.924   2.170   2.493
  130    HD3  LYS  18           HD3      LYS  18  13.338   0.457   2.317
  131    HE2  LYS  18           HE2      LYS  18  13.468   0.739  -0.149
  132    HE3  LYS  18           HE3      LYS  18  12.964   2.426   0.007
  133    HZ1  LYS  18           HZ1      LYS  18  15.009   2.853   1.263
  134    HZ2  LYS  18           HZ2      LYS  18  15.478   1.294   1.117
  135    HZ3  LYS  18           HZ3      LYS  18  15.372   2.242  -0.205
  136    H    THR  19           H        THR  19   9.028  -1.182  -1.754
  137    HA   THR  19           HA       THR  19   7.836   1.501  -2.346
  138    HB   THR  19           HB       THR  19  10.055   0.972  -3.422
  139    HG1  THR  19           HG1      THR  19   9.350   1.866  -5.346
  140   HG21  THR  19          HG21      THR  19   9.593  -1.427  -4.019
  141   HG22  THR  19          HG22      THR  19   8.373  -0.874  -5.186
  142   HG23  THR  19          HG23      THR  19  10.082  -0.440  -5.406
  143    H    CYS  20           H        CYS  20   6.276   1.518  -4.159
  144    HA   CYS  20           HA       CYS  20   4.354  -0.726  -3.860
  145    HB2  CYS  20           HB2      CYS  20   3.902   1.908  -3.598
  146    HB3  CYS  20           HB3      CYS  20   3.692   1.812  -5.329
  147    HA   PRO  21           HA       PRO  21   5.734  -2.090  -7.890
  148    HB2  PRO  21           HB2      PRO  21   3.799  -3.973  -8.474
  149    HB3  PRO  21           HB3      PRO  21   5.147  -4.226  -7.323
  150    HG2  PRO  21           HG2      PRO  21   2.306  -3.402  -6.723
  151    HG3  PRO  21           HG3      PRO  21   3.295  -4.631  -5.873
  152    HD2  PRO  21           HD2      PRO  21   3.028  -2.175  -4.832
  153    HD3  PRO  21           HD3      PRO  21   4.593  -3.028  -4.774
  154    H    SER  22           H        SER  22   5.673  -0.781  -9.475
  155    HA   SER  22           HA       SER  22   3.838   1.153 -10.019
  156    HB2  SER  22           HB2      SER  22   5.757  -0.068 -12.041
  157    HB3  SER  22           HB3      SER  22   5.144   1.595 -12.002
  158    HG   SER  22           HG       SER  22   7.255   1.426 -11.111
  159    H    ASN  23           H        ASN  23   3.867  -2.048 -11.541
  160    HA   ASN  23           HA       ASN  23   2.015  -1.250 -13.669
  161    HB2  ASN  23           HB2      ASN  23   3.263  -3.923 -12.918
  162    HB3  ASN  23           HB3      ASN  23   2.278  -3.648 -14.352
  163   HD21  ASN  23          HD21      ASN  23   5.386  -4.094 -13.629
  164   HD22  ASN  23          HD22      ASN  23   6.113  -3.007 -14.803
  165    H    ARG  24           H        ARG  24   1.413  -2.001 -10.453
  166    HA   ARG  24           HA       ARG  24  -0.943  -3.685 -10.918
  167    HB2  ARG  24           HB2      ARG  24   0.780  -3.881  -9.065
  168    HB3  ARG  24           HB3      ARG  24  -0.039  -2.541  -8.265
  169    HG2  ARG  24           HG2      ARG  24  -1.960  -3.818  -7.816
  170    HG3  ARG  24           HG3      ARG  24  -1.734  -4.854  -9.237
  171    HD2  ARG  24           HD2      ARG  24   0.229  -5.897  -8.172
  172    HD3  ARG  24           HD3      ARG  24  -0.088  -4.966  -6.695
  173    HE   ARG  24           HE       ARG  24  -2.476  -6.148  -6.946
  174   HH11  ARG  24          HH11      ARG  24   0.584  -7.795  -7.517
  175   HH12  ARG  24          HH12      ARG  24  -0.125  -9.343  -7.142
  176   HH21  ARG  24          HH21      ARG  24  -3.254  -7.997  -6.548
  177   HH22  ARG  24          HH22      ARG  24  -2.290  -9.480  -6.566
  178    H    GLY  25           H        GLY  25  -0.501  -0.386 -11.015
  179    HA2  GLY  25           HA2      GLY  25  -2.086   1.174 -11.690
  180    HA3  GLY  25           HA3      GLY  25  -3.374   0.014 -11.372
  181    H    TYR  26           H        TYR  26  -1.095   0.816  -8.807
  182    HA   TYR  26           HA       TYR  26  -3.179   1.775  -7.074
  183    HB2  TYR  26           HB2      TYR  26  -0.151   1.839  -6.820
  184    HB3  TYR  26           HB3      TYR  26  -1.259   2.262  -5.524
  185    HD1  TYR  26           HD1      TYR  26   0.911  -0.199  -6.260
  186    HD2  TYR  26           HD2      TYR  26  -3.320   0.267  -5.460
  187    HE1  TYR  26           HE1      TYR  26   0.756  -2.563  -5.483
  188    HE2  TYR  26           HE2      TYR  26  -3.446  -2.090  -4.710
  189    HH   TYR  26           HH       TYR  26  -2.311  -4.061  -4.475
  190    H    THR  27           H        THR  27  -3.632   3.806  -6.270
  191    HA   THR  27           HA       THR  27  -2.861   6.113  -7.983
  192    HB   THR  27           HB       THR  27  -4.649   7.311  -6.798
  193    HG1  THR  27           HG1      THR  27  -5.973   6.183  -5.394
  194   HG21  THR  27          HG21      THR  27  -6.560   6.110  -7.721
  195   HG22  THR  27          HG22      THR  27  -5.200   6.018  -8.851
  196   HG23  THR  27          HG23      THR  27  -5.614   4.612  -7.847
  197    H    GLY  28           H        GLY  28  -2.019   4.736  -4.936
  198    HA2  GLY  28           HA2      GLY  28   0.150   6.526  -4.573
  199    HA3  GLY  28           HA3      GLY  28  -1.145   7.015  -3.482
  200    H    SER  29           H        SER  29   0.979   6.411  -2.200
  201    HA   SER  29           HA       SER  29   0.356   3.962  -0.759
  202    HB2  SER  29           HB2      SER  29   2.591   2.989  -0.904
  203    HB3  SER  29           HB3      SER  29   1.830   3.075  -2.492
  204    HG   SER  29           HG       SER  29   3.077   4.938  -2.937
  205    H    CYS  30           H        CYS  30   1.692   3.691   1.206
  206    HA   CYS  30           HA       CYS  30   3.191   6.016   2.195
  207    HB2  CYS  30           HB2      CYS  30   1.816   6.299   4.195
  208    HB3  CYS  30           HB3      CYS  30   0.844   6.603   2.755
  209    H    GLY  31           H        GLY  31   4.648   5.480   3.862
  210    HA2  GLY  31           HA2      GLY  31   5.435   2.737   4.078
  211    HA3  GLY  31           HA3      GLY  31   6.020   4.055   5.091
  212    H    TYR  32           H        TYR  32   4.950   1.150   5.567
  213    HA   TYR  32           HA       TYR  32   2.975   1.781   7.727
  214    HB2  TYR  32           HB2      TYR  32   2.222   0.773   5.388
  215    HB3  TYR  32           HB3      TYR  32   2.800  -0.731   6.072
  216    HD1  TYR  32           HD1      TYR  32   1.192  -2.004   7.338
  217    HD2  TYR  32           HD2      TYR  32   0.636   2.248   6.835
  218    HE1  TYR  32           HE1      TYR  32  -1.079  -2.174   8.348
  219    HE2  TYR  32           HE2      TYR  32  -1.604   2.081   7.890
  220    HH   TYR  32           HH       TYR  32  -3.144   0.704   8.893
  221    H    PHE  33           H        PHE  33   2.684  -0.346   9.148
  222    HA   PHE  33           HA       PHE  33   5.124  -0.750  10.540
  223    HB2  PHE  33           HB2      PHE  33   2.850  -1.066  11.475
  224    HB3  PHE  33           HB3      PHE  33   2.663  -2.505  10.465
  225    HD1  PHE  33           HD1      PHE  33   5.206  -1.140  12.918
  226    HD2  PHE  33           HD2      PHE  33   2.876  -4.530  11.610
  227    HE1  PHE  33           HE1      PHE  33   6.187  -2.520  14.733
  228    HE2  PHE  33           HE2      PHE  33   3.844  -5.898  13.441
  229    HZ   PHE  33           HZ       PHE  33   5.506  -4.899  14.999
  230    H    LEU  34           H        LEU  34   6.837  -1.964  10.121
  231    HA   LEU  34           HA       LEU  34   8.311  -3.317   9.169
  232    HB2  LEU  34           HB2      LEU  34   6.091  -5.359   9.001
  233    HB3  LEU  34           HB3      LEU  34   7.819  -5.684   9.044
  234    HG   LEU  34           HG       LEU  34   6.225  -4.458  11.333
  235   HD11  LEU  34          HD11      LEU  34   7.305  -7.259  10.898
  236   HD12  LEU  34          HD12      LEU  34   6.493  -6.662  12.370
  237   HD13  LEU  34          HD13      LEU  34   5.599  -6.757  10.838
  238   HD21  LEU  34          HD21      LEU  34   8.582  -3.769  11.431
  239   HD22  LEU  34          HD22      LEU  34   8.225  -4.956  12.690
  240   HD23  LEU  34          HD23      LEU  34   9.100  -5.461  11.223
  241    H    GLY  35           H        GLY  35   6.151  -2.016   7.207
  242    HA2  GLY  35           HA2      GLY  35   7.452  -2.798   4.692
  243    HA3  GLY  35           HA3      GLY  35   5.853  -3.503   4.912
  244    H    ILE  36           H        ILE  36   4.660  -2.461   3.429
  245    HA   ILE  36           HA       ILE  36   4.291   0.468   3.602
  246    HB   ILE  36           HB       ILE  36   6.037   0.465   2.080
  247   HG12  ILE  36          HG12      ILE  36   3.614   0.366   0.248
  248   HG13  ILE  36          HG13      ILE  36   3.880   1.658   1.392
  249   HG21  ILE  36          HG21      ILE  36   4.750  -1.775   0.491
  250   HG22  ILE  36          HG22      ILE  36   6.256  -0.949   0.085
  251   HG23  ILE  36          HG23      ILE  36   6.183  -1.959   1.524
  252   HD11  ILE  36          HD11      ILE  36   6.038   2.216   0.308
  253   HD12  ILE  36          HD12      ILE  36   5.720   0.954  -0.910
  254   HD13  ILE  36          HD13      ILE  36   4.658   2.350  -0.792
  255    H    CYS  37           H        CYS  37   2.390   1.214   2.957
  256    HA   CYS  37           HA       CYS  37   0.182  -0.707   2.369
  257    HB2  CYS  37           HB2      CYS  37  -0.057   0.563   4.390
  258    HB3  CYS  37           HB3      CYS  37   0.422   2.045   3.596
  259    H    CYS  38           H        CYS  38  -0.652  -0.666   0.358
  260    HA   CYS  38           HA       CYS  38  -0.140   1.624  -1.515
  261    HB2  CYS  38           HB2      CYS  38  -0.151  -1.380  -1.950
  262    HB3  CYS  38           HB3      CYS  38  -0.260  -0.207  -3.259
  263    H    TYR  39           H        TYR  39  -1.943   2.413  -2.574
  264    HA   TYR  39           HA       TYR  39  -4.522   1.002  -2.150
  265    HB2  TYR  39           HB2      TYR  39  -5.544   3.211  -1.509
  266    HB3  TYR  39           HB3      TYR  39  -4.551   2.397  -0.329
  267    HD1  TYR  39           HD1      TYR  39  -2.662   3.428   0.662
  268    HD2  TYR  39           HD2      TYR  39  -4.592   5.240  -2.750
  269    HE1  TYR  39           HE1      TYR  39  -1.380   5.525   1.053
  270    HE2  TYR  39           HE2      TYR  39  -3.330   7.347  -2.336
  271    HH   TYR  39           HH       TYR  39  -0.964   7.675   0.332
  272    HA   PRO  40           HA       PRO  40  -6.918   1.821  -2.526
  273    HB2  PRO  40           HB2      PRO  40  -8.724   0.727  -4.235
  274    HB3  PRO  40           HB3      PRO  40  -8.474   2.492  -4.085
  275    HG2  PRO  40           HG2      PRO  40  -7.242   0.608  -6.134
  276    HG3  PRO  40           HG3      PRO  40  -8.123   2.142  -6.440
  277    HD2  PRO  40           HD2      PRO  40  -5.414   2.077  -6.323
  278    HD3  PRO  40           HD3      PRO  40  -6.329   3.444  -5.625
  279    H    VAL  41           H        VAL  41  -7.890  -0.182  -1.811
  280    HA   VAL  41           HA       VAL  41  -6.157  -2.414  -1.670
  281    HB   VAL  41           HB       VAL  41  -7.809  -1.739   0.033
  282   HG11  VAL  41          HG11      VAL  41  -9.954  -2.986  -1.719
  283   HG12  VAL  41          HG12      VAL  41 -10.142  -2.329  -0.083
  284   HG13  VAL  41          HG13      VAL  41  -9.760  -1.244  -1.425
  285   HG21  VAL  41          HG21      VAL  41  -8.542  -3.973   0.713
  286   HG22  VAL  41          HG22      VAL  41  -8.136  -4.616  -0.887
  287   HG23  VAL  41          HG23      VAL  41  -6.863  -3.962   0.179
  288    H    ASP  42           H        ASP  42  -6.050  -4.346  -2.678
  289    HA   ASP  42           HA       ASP  42  -7.615  -4.734  -5.195
  290    HB2  ASP  42           HB2      ASP  42  -5.410  -3.875  -5.660
  291    HB3  ASP  42           HB3      ASP  42  -4.659  -5.086  -4.627
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -6.067 -11.670   2.054
    2    H2   GLY   1           H2       GLY   1  -6.044 -11.711   0.417
    3    H3   GLY   1           H3       GLY   1  -7.004 -10.636   1.195
    4    HA2  GLY   1           HA2      GLY   1  -4.054 -10.630   1.245
    5    HA3  GLY   1           HA3      GLY   1  -5.062  -9.529   0.289
    6    H    THR   2           H        THR   2  -3.148  -9.382   2.815
    7    HA   THR   2           HA       THR   2  -4.719  -8.389   4.989
    8    HB   THR   2           HB       THR   2  -1.796  -7.847   4.343
    9    HG1  THR   2           HG1      THR   2  -1.448  -9.678   5.615
   10   HG21  THR   2          HG21      THR   2  -2.595  -6.424   6.191
   11   HG22  THR   2          HG22      THR   2  -3.317  -7.838   6.993
   12   HG23  THR   2          HG23      THR   2  -1.552  -7.702   6.817
   13    H    THR   3           H        THR   3  -5.671  -6.432   5.331
   14    HA   THR   3           HA       THR   3  -5.474  -4.322   3.369
   15    HB   THR   3           HB       THR   3  -6.965  -3.246   5.398
   16    HG1  THR   3           HG1      THR   3  -8.226  -4.912   6.241
   17   HG21  THR   3          HG21      THR   3  -7.797  -5.206   3.238
   18   HG22  THR   3          HG22      THR   3  -8.920  -4.176   4.161
   19   HG23  THR   3          HG23      THR   3  -7.675  -3.430   3.138
   20    H    CYS   4           H        CYS   4  -5.159  -2.151   3.786
   21    HA   CYS   4           HA       CYS   4  -3.700  -1.378   6.219
   22    HB2  CYS   4           HB2      CYS   4  -1.929  -0.303   5.077
   23    HB3  CYS   4           HB3      CYS   4  -2.055  -1.901   4.387
   24    H    TYR   5           H        TYR   5  -3.654   1.054   6.540
   25    HA   TYR   5           HA       TYR   5  -5.800   2.504   5.046
   26    HB2  TYR   5           HB2      TYR   5  -5.542   2.331   8.070
   27    HB3  TYR   5           HB3      TYR   5  -6.594   3.440   7.211
   28    HD1  TYR   5           HD1      TYR   5  -6.039  -0.112   8.117
   29    HD2  TYR   5           HD2      TYR   5  -8.696   2.721   6.236
   30    HE1  TYR   5           HE1      TYR   5  -7.867  -1.802   8.160
   31    HE2  TYR   5           HE2      TYR   5 -10.534   1.037   6.310
   32    HH   TYR   5           HH       TYR   5 -10.064  -2.242   7.678
   33    H    CYS   6           H        CYS   6  -5.234   4.505   4.430
   34    HA   CYS   6           HA       CYS   6  -3.465   6.095   6.214
   35    HB2  CYS   6           HB2      CYS   6  -2.626   5.029   3.610
   36    HB3  CYS   6           HB3      CYS   6  -2.500   6.780   3.671
   37    H    GLY   7           H        GLY   7  -4.164   8.147   6.479
   38    HA2  GLY   7           HA2      GLY   7  -5.528   9.999   6.286
   39    HA3  GLY   7           HA3      GLY   7  -5.299   9.854   4.538
   40    H    LYS   8           H        LYS   8  -6.908   7.508   6.649
   41    HA   LYS   8           HA       LYS   8  -8.829   6.341   6.471
   42    HB2  LYS   8           HB2      LYS   8 -10.099   9.017   5.839
   43    HB3  LYS   8           HB3      LYS   8 -10.947   7.545   6.324
   44    HG2  LYS   8           HG2      LYS   8  -9.649   7.523   8.473
   45    HG3  LYS   8           HG3      LYS   8  -8.889   9.046   8.001
   46    HD2  LYS   8           HD2      LYS   8 -10.649   9.550   9.528
   47    HD3  LYS   8           HD3      LYS   8 -11.141  10.130   7.930
   48    HE2  LYS   8           HE2      LYS   8 -12.565   8.120   7.633
   49    HE3  LYS   8           HE3      LYS   8 -12.012   7.482   9.187
   50    HZ1  LYS   8           HZ1      LYS   8 -13.551  10.001   8.834
   51    HZ2  LYS   8           HZ2      LYS   8 -14.160   8.595   9.395
   52    HZ3  LYS   8           HZ3      LYS   8 -13.046   9.403  10.269
   53    H    THR   9           H        THR   9  -7.209   6.732   3.991
   54    HA   THR   9           HA       THR   9  -9.121   5.629   1.987
   55    HB   THR   9           HB       THR   9  -6.261   6.595   1.552
   56    HG1  THR   9           HG1      THR   9  -7.727   8.289   1.920
   57   HG21  THR   9          HG21      THR   9  -8.423   5.688  -0.400
   58   HG22  THR   9          HG22      THR   9  -6.858   6.408  -0.840
   59   HG23  THR   9          HG23      THR   9  -6.904   4.834  -0.040
   60    H    ILE  10           H        ILE  10  -9.271   3.539   2.242
   61    HA   ILE  10           HA       ILE  10  -7.278   1.877   3.531
   62    HB   ILE  10           HB       ILE  10  -9.699   1.588   3.798
   63   HG12  ILE  10          HG12      ILE  10  -8.360  -0.850   2.554
   64   HG13  ILE  10          HG13      ILE  10  -8.260  -0.322   4.238
   65   HG21  ILE  10          HG21      ILE  10  -9.734   0.655   0.912
   66   HG22  ILE  10          HG22      ILE  10 -11.124   0.790   2.019
   67   HG23  ILE  10          HG23      ILE  10 -10.297   2.246   1.467
   68   HD11  ILE  10          HD11      ILE  10  -9.861  -2.080   4.181
   69   HD12  ILE  10          HD12      ILE  10 -10.795  -0.589   4.367
   70   HD13  ILE  10          HD13      ILE  10 -10.701  -1.394   2.782
   71    H    GLY  11           H        GLY  11  -6.010   0.261   2.627
   72    HA2  GLY  11           HA2      GLY  11  -5.882  -0.076  -0.323
   73    HA3  GLY  11           HA3      GLY  11  -4.443   0.436   0.550
   74    H    ILE  12           H        ILE  12  -3.737  -1.497  -0.536
   75    HA   ILE  12           HA       ILE  12  -4.082  -4.012   0.985
   76    HB   ILE  12           HB       ILE  12  -3.714  -3.362  -1.808
   77   HG12  ILE  12          HG12      ILE  12  -5.269  -4.977  -1.021
   78   HG13  ILE  12          HG13      ILE  12  -4.161  -5.661  -2.208
   79   HG21  ILE  12          HG21      ILE  12  -1.386  -3.409  -1.665
   80   HG22  ILE  12          HG22      ILE  12  -1.364  -4.961  -0.780
   81   HG23  ILE  12          HG23      ILE  12  -1.924  -4.904  -2.452
   82   HD11  ILE  12          HD11      ILE  12  -2.878  -6.730  -0.288
   83   HD12  ILE  12          HD12      ILE  12  -4.233  -6.226   0.756
   84   HD13  ILE  12          HD13      ILE  12  -4.516  -7.341  -0.577
   85    H    TYR  13           H        TYR  13  -2.389  -4.905   2.042
   86    HA   TYR  13           HA       TYR  13  -0.053  -3.135   2.607
   87    HB2  TYR  13           HB2      TYR  13  -1.253  -3.911   4.560
   88    HB3  TYR  13           HB3      TYR  13  -1.124  -5.577   4.028
   89    HD1  TYR  13           HD1      TYR  13   1.086  -2.623   4.815
   90    HD2  TYR  13           HD2      TYR  13   0.609  -6.914   4.837
   91    HE1  TYR  13           HE1      TYR  13   3.248  -2.860   6.042
   92    HE2  TYR  13           HE2      TYR  13   2.759  -7.142   6.076
   93    HH   TYR  13           HH       TYR  13   4.524  -4.307   7.273
   94    H    TRP  14           H        TRP  14   1.901  -3.499   1.879
   95    HA   TRP  14           HA       TRP  14   2.689  -6.185   0.818
   96    HB2  TRP  14           HB2      TRP  14   3.384  -3.366  -0.013
   97    HB3  TRP  14           HB3      TRP  14   4.366  -4.748  -0.470
   98    HD1  TRP  14           HD1      TRP  14   1.188  -2.965  -1.344
   99    HE1  TRP  14           HE1      TRP  14   0.115  -4.042  -3.437
  100    HE3  TRP  14           HE3      TRP  14   4.161  -7.118  -1.741
  101    HZ2  TRP  14           HZ2      TRP  14   0.468  -6.414  -5.009
  102    HZ3  TRP  14           HZ3      TRP  14   3.766  -8.776  -3.551
  103    HH2  TRP  14           HH2      TRP  14   1.925  -8.445  -5.180
  104    H    PHE  15           H        PHE  15   4.326  -7.185   1.811
  105    HA   PHE  15           HA       PHE  15   5.708  -5.853   4.082
  106    HB2  PHE  15           HB2      PHE  15   4.511  -7.874   4.606
  107    HB3  PHE  15           HB3      PHE  15   5.284  -8.748   3.292
  108    HD1  PHE  15           HD1      PHE  15   7.338  -9.904   3.631
  109    HD2  PHE  15           HD2      PHE  15   6.014  -7.009   6.541
  110    HE1  PHE  15           HE1      PHE  15   9.176 -10.589   5.155
  111    HE2  PHE  15           HE2      PHE  15   7.852  -7.692   8.057
  112    HZ   PHE  15           HZ       PHE  15   9.437  -9.485   7.370
  113    H    GLY  16           H        GLY  16   7.886  -5.644   4.239
  114    HA2  GLY  16           HA2      GLY  16  10.121  -5.726   3.839
  115    HA3  GLY  16           HA3      GLY  16   9.821  -7.176   2.892
  116    H    THR  17           H        THR  17   8.200  -5.605   0.891
  117    HA   THR  17           HA       THR  17  10.276  -5.118  -0.972
  118    HB   THR  17           HB       THR  17   8.019  -5.960  -1.508
  119    HG1  THR  17           HG1      THR  17   9.196  -5.142  -3.190
  120   HG21  THR  17          HG21      THR  17   6.605  -4.526  -0.134
  121   HG22  THR  17          HG22      THR  17   7.083  -3.101  -1.071
  122   HG23  THR  17          HG23      THR  17   6.157  -4.393  -1.847
  123    H    LYS  18           H        LYS  18   8.769  -2.882   1.181
  124    HA   LYS  18           HA       LYS  18   9.008  -0.709   1.705
  125    HB2  LYS  18           HB2      LYS  18  11.397  -1.555   1.634
  126    HB3  LYS  18           HB3      LYS  18  11.574  -0.703   0.096
  127    HG2  LYS  18           HG2      LYS  18  10.961   1.438   1.251
  128    HG3  LYS  18           HG3      LYS  18  10.844   0.558   2.780
  129    HD2  LYS  18           HD2      LYS  18  13.342   0.879   1.054
  130    HD3  LYS  18           HD3      LYS  18  12.987   1.748   2.554
  131    HE2  LYS  18           HE2      LYS  18  12.956  -0.432   3.787
  132    HE3  LYS  18           HE3      LYS  18  13.384  -1.267   2.286
  133    HZ1  LYS  18           HZ1      LYS  18  15.351  -0.819   3.632
  134    HZ2  LYS  18           HZ2      LYS  18  15.455   0.018   2.236
  135    HZ3  LYS  18           HZ3      LYS  18  15.065   0.787   3.626
  136    H    THR  19           H        THR  19   9.156  -1.235  -1.748
  137    HA   THR  19           HA       THR  19   7.905   1.451  -2.211
  138    HB   THR  19           HB       THR  19  10.130   0.990  -3.313
  139    HG1  THR  19           HG1      THR  19   9.415   1.985  -5.182
  140   HG21  THR  19          HG21      THR  19   9.675  -1.377  -4.036
  141   HG22  THR  19          HG22      THR  19   8.451  -0.765  -5.171
  142   HG23  THR  19          HG23      THR  19  10.159  -0.315  -5.369
  143    H    CYS  20           H        CYS  20   6.325   1.532  -4.032
  144    HA   CYS  20           HA       CYS  20   4.437  -0.741  -3.797
  145    HB2  CYS  20           HB2      CYS  20   3.897   1.853  -3.529
  146    HB3  CYS  20           HB3      CYS  20   3.781   1.798  -5.272
  147    HA   PRO  21           HA       PRO  21   5.736  -1.970  -7.927
  148    HB2  PRO  21           HB2      PRO  21   3.965  -4.006  -8.415
  149    HB3  PRO  21           HB3      PRO  21   5.316  -4.147  -7.248
  150    HG2  PRO  21           HG2      PRO  21   2.420  -3.485  -6.680
  151    HG3  PRO  21           HG3      PRO  21   3.466  -4.656  -5.819
  152    HD2  PRO  21           HD2      PRO  21   3.059  -2.176  -4.826
  153    HD3  PRO  21           HD3      PRO  21   4.641  -2.992  -4.692
  154    H    SER  22           H        SER  22   5.434  -0.297  -9.153
  155    HA   SER  22           HA       SER  22   3.185   1.186  -9.660
  156    HB2  SER  22           HB2      SER  22   5.500   0.705 -11.581
  157    HB3  SER  22           HB3      SER  22   4.470   2.139 -11.489
  158    HG   SER  22           HG       SER  22   5.324   2.586  -9.437
  159    H    ASN  23           H        ASN  23   4.130  -1.745 -11.391
  160    HA   ASN  23           HA       ASN  23   2.361  -1.403 -13.650
  161    HB2  ASN  23           HB2      ASN  23   3.747  -3.869 -12.504
  162    HB3  ASN  23           HB3      ASN  23   2.916  -3.812 -14.054
  163   HD21  ASN  23          HD21      ASN  23   5.964  -3.477 -12.636
  164   HD22  ASN  23          HD22      ASN  23   6.715  -2.590 -13.951
  165    H    ARG  24           H        ARG  24   1.601  -2.159 -10.394
  166    HA   ARG  24           HA       ARG  24  -0.713  -3.862 -11.017
  167    HB2  ARG  24           HB2      ARG  24   0.890  -4.065  -9.057
  168    HB3  ARG  24           HB3      ARG  24   0.040  -2.711  -8.318
  169    HG2  ARG  24           HG2      ARG  24  -1.919  -3.961  -7.975
  170    HG3  ARG  24           HG3      ARG  24  -1.611  -5.022  -9.365
  171    HD2  ARG  24           HD2      ARG  24   0.267  -6.062  -8.176
  172    HD3  ARG  24           HD3      ARG  24  -0.092  -5.082  -6.741
  173    HE   ARG  24           HE       ARG  24  -2.481  -6.241  -7.022
  174   HH11  ARG  24          HH11      ARG  24   0.564  -7.949  -7.490
  175   HH12  ARG  24          HH12      ARG  24  -0.176  -9.475  -7.082
  176   HH21  ARG  24          HH21      ARG  24  -3.292  -8.064  -6.578
  177   HH22  ARG  24          HH22      ARG  24  -2.352  -9.563  -6.541
  178    H    GLY  25           H        GLY  25  -0.228  -0.553 -11.073
  179    HA2  GLY  25           HA2      GLY  25  -1.748   1.025 -11.828
  180    HA3  GLY  25           HA3      GLY  25  -3.071  -0.117 -11.590
  181    H    TYR  26           H        TYR  26  -0.907   0.684  -8.911
  182    HA   TYR  26           HA       TYR  26  -3.067   1.669  -7.278
  183    HB2  TYR  26           HB2      TYR  26  -0.051   1.756  -6.891
  184    HB3  TYR  26           HB3      TYR  26  -1.227   2.199  -5.659
  185    HD1  TYR  26           HD1      TYR  26   0.988  -0.279  -6.299
  186    HD2  TYR  26           HD2      TYR  26  -3.254   0.224  -5.581
  187    HE1  TYR  26           HE1      TYR  26   0.796  -2.643  -5.526
  188    HE2  TYR  26           HE2      TYR  26  -3.413  -2.125  -4.810
  189    HH   TYR  26           HH       TYR  26  -2.303  -4.109  -4.556
  190    H    THR  27           H        THR  27  -3.531   3.704  -6.512
  191    HA   THR  27           HA       THR  27  -2.690   5.960  -8.268
  192    HB   THR  27           HB       THR  27  -5.127   5.370  -7.832
  193    HG1  THR  27           HG1      THR  27  -4.599   7.302  -8.748
  194   HG21  THR  27          HG21      THR  27  -4.967   5.147  -5.329
  195   HG22  THR  27          HG22      THR  27  -4.693   6.897  -5.229
  196   HG23  THR  27          HG23      THR  27  -6.216   6.270  -5.886
  197    H    GLY  28           H        GLY  28  -2.050   4.708  -5.118
  198    HA2  GLY  28           HA2      GLY  28   0.069   6.563  -4.689
  199    HA3  GLY  28           HA3      GLY  28  -1.290   7.003  -3.660
  200    H    SER  29           H        SER  29   0.852   6.454  -2.334
  201    HA   SER  29           HA       SER  29   0.311   3.952  -0.916
  202    HB2  SER  29           HB2      SER  29   2.612   3.144  -1.063
  203    HB3  SER  29           HB3      SER  29   1.890   3.246  -2.672
  204    HG   SER  29           HG       SER  29   4.013   4.143  -2.642
  205    H    CYS  30           H        CYS  30   1.644   3.729   1.063
  206    HA   CYS  30           HA       CYS  30   3.112   6.064   2.004
  207    HB2  CYS  30           HB2      CYS  30   1.828   6.493   3.982
  208    HB3  CYS  30           HB3      CYS  30   0.722   6.593   2.614
  209    H    GLY  31           H        GLY  31   4.637   5.557   3.613
  210    HA2  GLY  31           HA2      GLY  31   5.410   2.811   3.870
  211    HA3  GLY  31           HA3      GLY  31   6.043   4.149   4.828
  212    H    TYR  32           H        TYR  32   4.955   1.274   5.422
  213    HA   TYR  32           HA       TYR  32   2.962   1.973   7.543
  214    HB2  TYR  32           HB2      TYR  32   2.286   0.818   5.252
  215    HB3  TYR  32           HB3      TYR  32   2.909  -0.625   6.021
  216    HD1  TYR  32           HD1      TYR  32   1.328  -1.894   7.341
  217    HD2  TYR  32           HD2      TYR  32   0.604   2.291   6.561
  218    HE1  TYR  32           HE1      TYR  32  -0.957  -2.116   8.282
  219    HE2  TYR  32           HE2      TYR  32  -1.666   2.069   7.546
  220    HH   TYR  32           HH       TYR  32  -2.925  -1.038   8.794
  221    H    PHE  33           H        PHE  33   2.728  -0.072   9.093
  222    HA   PHE  33           HA       PHE  33   5.243  -0.394  10.421
  223    HB2  PHE  33           HB2      PHE  33   2.996  -0.573  11.486
  224    HB3  PHE  33           HB3      PHE  33   2.755  -2.102  10.631
  225    HD1  PHE  33           HD1      PHE  33   5.483  -0.540  12.752
  226    HD2  PHE  33           HD2      PHE  33   2.977  -3.976  12.015
  227    HE1  PHE  33           HE1      PHE  33   6.573  -1.741  14.630
  228    HE2  PHE  33           HE2      PHE  33   4.056  -5.162  13.912
  229    HZ   PHE  33           HZ       PHE  33   5.861  -4.051  15.214
  230    H    LEU  34           H        LEU  34   6.881  -1.725  10.054
  231    HA   LEU  34           HA       LEU  34   8.270  -3.192   9.126
  232    HB2  LEU  34           HB2      LEU  34   5.942  -5.120   9.124
  233    HB3  LEU  34           HB3      LEU  34   7.649  -5.538   9.116
  234    HG   LEU  34           HG       LEU  34   6.230  -4.110  11.406
  235   HD11  LEU  34          HD11      LEU  34   7.093  -7.001  11.074
  236   HD12  LEU  34          HD12      LEU  34   6.389  -6.273  12.543
  237   HD13  LEU  34          HD13      LEU  34   5.424  -6.382  11.058
  238   HD21  LEU  34          HD21      LEU  34   8.247  -4.687  12.705
  239   HD22  LEU  34          HD22      LEU  34   9.021  -5.324  11.235
  240   HD23  LEU  34          HD23      LEU  34   8.634  -3.592  11.374
  241    H    GLY  35           H        GLY  35   6.085  -1.893   7.162
  242    HA2  GLY  35           HA2      GLY  35   7.333  -2.800   4.661
  243    HA3  GLY  35           HA3      GLY  35   5.716  -3.446   4.922
  244    H    ILE  36           H        ILE  36   4.597  -2.415   3.356
  245    HA   ILE  36           HA       ILE  36   4.251   0.520   3.503
  246    HB   ILE  36           HB       ILE  36   5.992   0.483   1.976
  247   HG12  ILE  36          HG12      ILE  36   3.565   0.390   0.145
  248   HG13  ILE  36          HG13      ILE  36   3.839   1.689   1.282
  249   HG21  ILE  36          HG21      ILE  36   4.678  -1.743   0.390
  250   HG22  ILE  36          HG22      ILE  36   6.208  -0.956   0.006
  251   HG23  ILE  36          HG23      ILE  36   6.094  -1.958   1.443
  252   HD11  ILE  36          HD11      ILE  36   4.615   2.347  -0.914
  253   HD12  ILE  36          HD12      ILE  36   5.990   2.236   0.199
  254   HD13  ILE  36          HD13      ILE  36   5.683   0.949  -0.997
  255    H    CYS  37           H        CYS  37   2.359   1.284   2.819
  256    HA   CYS  37           HA       CYS  37   0.131  -0.622   2.260
  257    HB2  CYS  37           HB2      CYS  37  -0.064   0.759   4.243
  258    HB3  CYS  37           HB3      CYS  37   0.362   2.197   3.336
  259    H    CYS  38           H        CYS  38  -0.733  -0.594   0.255
  260    HA   CYS  38           HA       CYS  38  -0.175   1.633  -1.676
  261    HB2  CYS  38           HB2      CYS  38  -0.221  -1.376  -2.054
  262    HB3  CYS  38           HB3      CYS  38  -0.263  -0.213  -3.378
  263    H    TYR  39           H        TYR  39  -1.984   2.422  -2.738
  264    HA   TYR  39           HA       TYR  39  -4.560   1.011  -2.317
  265    HB2  TYR  39           HB2      TYR  39  -5.610   3.198  -1.666
  266    HB3  TYR  39           HB3      TYR  39  -4.586   2.414  -0.496
  267    HD1  TYR  39           HD1      TYR  39  -2.695   3.481   0.452
  268    HD2  TYR  39           HD2      TYR  39  -4.763   5.251  -2.895
  269    HE1  TYR  39           HE1      TYR  39  -1.463   5.615   0.824
  270    HE2  TYR  39           HE2      TYR  39  -3.536   7.390  -2.517
  271    HH   TYR  39           HH       TYR  39  -1.111   7.768   0.089
  272    HA   PRO  40           HA       PRO  40  -6.969   1.817  -2.720
  273    HB2  PRO  40           HB2      PRO  40  -8.736   0.667  -4.434
  274    HB3  PRO  40           HB3      PRO  40  -8.512   2.437  -4.314
  275    HG2  PRO  40           HG2      PRO  40  -7.216   0.536  -6.307
  276    HG3  PRO  40           HG3      PRO  40  -8.124   2.045  -6.657
  277    HD2  PRO  40           HD2      PRO  40  -5.419   2.047  -6.500
  278    HD3  PRO  40           HD3      PRO  40  -6.374   3.399  -5.824
  279    H    VAL  41           H        VAL  41  -7.937  -0.187  -1.985
  280    HA   VAL  41           HA       VAL  41  -6.172  -2.397  -1.780
  281    HB   VAL  41           HB       VAL  41  -7.848  -1.704  -0.104
  282   HG11  VAL  41          HG11      VAL  41 -10.171  -2.328  -0.227
  283   HG12  VAL  41          HG12      VAL  41  -9.793  -1.271  -1.593
  284   HG13  VAL  41          HG13      VAL  41  -9.959  -3.022  -1.845
  285   HG21  VAL  41          HG21      VAL  41  -6.867  -3.904   0.105
  286   HG22  VAL  41          HG22      VAL  41  -8.550  -3.935   0.620
  287   HG23  VAL  41          HG23      VAL  41  -8.112  -4.605  -0.962
  288    H    ASP  42           H        ASP  42  -6.045  -4.349  -2.767
  289    HA   ASP  42           HA       ASP  42  -7.585  -4.767  -5.295
  290    HB2  ASP  42           HB2      ASP  42  -5.375  -3.876  -5.728
  291    HB3  ASP  42           HB3      ASP  42  -4.629  -5.103  -4.712
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -7.143 -13.421   4.546
    2    H2   GLY   1           H2       GLY   1  -7.429 -12.159   5.553
    3    H3   GLY   1           H3       GLY   1  -6.107 -13.098   5.774
    4    HA2  GLY   1           HA2      GLY   1  -5.165 -12.382   3.673
    5    HA3  GLY   1           HA3      GLY   1  -6.590 -11.349   3.450
    6    H    THR   2           H        THR   2  -5.168  -9.512   3.316
    7    HA   THR   2           HA       THR   2  -4.643  -8.307   5.944
    8    HB   THR   2           HB       THR   2  -2.512  -9.431   5.363
    9    HG1  THR   2           HG1      THR   2  -1.361  -7.720   6.011
   10   HG21  THR   2          HG21      THR   2  -1.052  -8.505   3.641
   11   HG22  THR   2          HG22      THR   2  -2.521  -9.142   2.889
   12   HG23  THR   2          HG23      THR   2  -2.323  -7.389   3.102
   13    H    THR   3           H        THR   3  -4.249  -5.999   5.829
   14    HA   THR   3           HA       THR   3  -5.209  -4.537   3.460
   15    HB   THR   3           HB       THR   3  -6.839  -3.951   5.900
   16    HG1  THR   3           HG1      THR   3  -7.112  -6.146   5.915
   17   HG21  THR   3          HG21      THR   3  -8.625  -3.741   4.158
   18   HG22  THR   3          HG22      THR   3  -7.242  -2.669   3.895
   19   HG23  THR   3          HG23      THR   3  -7.424  -4.148   2.921
   20    H    CYS   4           H        CYS   4  -5.137  -2.164   3.790
   21    HA   CYS   4           HA       CYS   4  -3.675  -1.232   6.203
   22    HB2  CYS   4           HB2      CYS   4  -1.929  -0.252   5.033
   23    HB3  CYS   4           HB3      CYS   4  -2.065  -1.856   4.344
   24    H    TYR   5           H        TYR   5  -3.655   1.176   6.380
   25    HA   TYR   5           HA       TYR   5  -5.836   2.561   4.897
   26    HB2  TYR   5           HB2      TYR   5  -5.609   2.402   7.928
   27    HB3  TYR   5           HB3      TYR   5  -6.647   3.515   7.060
   28    HD1  TYR   5           HD1      TYR   5  -6.117  -0.053   7.941
   29    HD2  TYR   5           HD2      TYR   5  -8.765   2.834   6.129
   30    HE1  TYR   5           HE1      TYR   5  -7.980  -1.711   8.013
   31    HE2  TYR   5           HE2      TYR   5 -10.631   1.191   6.237
   32    HH   TYR   5           HH       TYR   5 -11.282  -0.917   6.869
   33    H    CYS   6           H        CYS   6  -5.308   4.594   4.325
   34    HA   CYS   6           HA       CYS   6  -3.664   6.226   6.172
   35    HB2  CYS   6           HB2      CYS   6  -2.697   5.274   3.525
   36    HB3  CYS   6           HB3      CYS   6  -2.499   6.997   3.805
   37    H    GLY   7           H        GLY   7  -4.445   8.265   6.355
   38    HA2  GLY   7           HA2      GLY   7  -5.781  10.112   6.008
   39    HA3  GLY   7           HA3      GLY   7  -5.382   9.931   4.297
   40    H    LYS   8           H        LYS   8  -7.276   7.715   6.334
   41    HA   LYS   8           HA       LYS   8  -9.218   6.599   6.004
   42    HB2  LYS   8           HB2      LYS   8 -10.275   9.291   5.091
   43    HB3  LYS   8           HB3      LYS   8 -11.259   7.882   5.493
   44    HG2  LYS   8           HG2      LYS   8 -10.307   7.869   7.796
   45    HG3  LYS   8           HG3      LYS   8  -9.416   9.356   7.414
   46    HD2  LYS   8           HD2      LYS   8 -11.549  10.544   6.989
   47    HD3  LYS   8           HD3      LYS   8 -12.446   9.046   7.253
   48    HE2  LYS   8           HE2      LYS   8 -12.652  10.331   9.246
   49    HE3  LYS   8           HE3      LYS   8 -11.607   8.955   9.601
   50    HZ1  LYS   8           HZ1      LYS   8  -9.688  10.452   9.406
   51    HZ2  LYS   8           HZ2      LYS   8 -10.657  11.718   9.037
   52    HZ3  LYS   8           HZ3      LYS   8 -10.728  11.035  10.515
   53    H    THR   9           H        THR   9  -7.307   6.797   3.699
   54    HA   THR   9           HA       THR   9  -9.048   5.611   1.589
   55    HB   THR   9           HB       THR   9  -6.166   6.554   1.301
   56    HG1  THR   9           HG1      THR   9  -7.621   8.284   1.545
   57   HG21  THR   9          HG21      THR   9  -6.780   4.757  -0.267
   58   HG22  THR   9          HG22      THR   9  -8.258   5.632  -0.726
   59   HG23  THR   9          HG23      THR   9  -6.661   6.306  -1.114
   60    H    ILE  10           H        ILE  10  -9.242   3.553   2.003
   61    HA   ILE  10           HA       ILE  10  -7.286   1.923   3.408
   62    HB   ILE  10           HB       ILE  10  -9.738   1.679   3.604
   63   HG12  ILE  10          HG12      ILE  10  -8.374  -0.831   2.544
   64   HG13  ILE  10          HG13      ILE  10  -8.326  -0.216   4.202
   65   HG21  ILE  10          HG21      ILE  10  -9.658   0.556   0.787
   66   HG22  ILE  10          HG22      ILE  10 -11.093   0.798   1.817
   67   HG23  ILE  10          HG23      ILE  10 -10.211   2.195   1.195
   68   HD11  ILE  10          HD11      ILE  10 -10.875  -0.433   4.238
   69   HD12  ILE  10          HD12      ILE  10 -10.719  -1.351   2.722
   70   HD13  ILE  10          HD13      ILE  10  -9.952  -1.941   4.206
   71    H    GLY  11           H        GLY  11  -6.035   0.246   2.559
   72    HA2  GLY  11           HA2      GLY  11  -5.780  -0.076  -0.383
   73    HA3  GLY  11           HA3      GLY  11  -4.384   0.448   0.546
   74    H    ILE  12           H        ILE  12  -3.641  -1.482  -0.564
   75    HA   ILE  12           HA       ILE  12  -4.030  -3.971   0.986
   76    HB   ILE  12           HB       ILE  12  -3.729  -3.422  -1.803
   77   HG12  ILE  12          HG12      ILE  12  -5.204  -5.054  -0.912
   78   HG13  ILE  12          HG13      ILE  12  -4.126  -5.755  -2.111
   79   HG21  ILE  12          HG21      ILE  12  -1.289  -4.902  -0.805
   80   HG22  ILE  12          HG22      ILE  12  -1.897  -4.905  -2.458
   81   HG23  ILE  12          HG23      ILE  12  -1.395  -3.369  -1.720
   82   HD11  ILE  12          HD11      ILE  12  -3.822  -6.135   0.902
   83   HD12  ILE  12          HD12      ILE  12  -4.434  -7.320  -0.257
   84   HD13  ILE  12          HD13      ILE  12  -2.742  -6.799  -0.343
   85    H    TYR  13           H        TYR  13  -2.312  -4.891   2.061
   86    HA   TYR  13           HA       TYR  13   0.006  -3.099   2.613
   87    HB2  TYR  13           HB2      TYR  13  -1.146  -3.841   4.583
   88    HB3  TYR  13           HB3      TYR  13  -1.101  -5.512   4.050
   89    HD1  TYR  13           HD1      TYR  13   1.196  -2.648   4.911
   90    HD2  TYR  13           HD2      TYR  13   0.648  -6.924   4.714
   91    HE1  TYR  13           HE1      TYR  13   3.367  -2.984   6.104
   92    HE2  TYR  13           HE2      TYR  13   2.801  -7.254   5.922
   93    HH   TYR  13           HH       TYR  13   4.647  -4.530   7.241
   94    H    TRP  14           H        TRP  14   1.937  -3.459   1.859
   95    HA   TRP  14           HA       TRP  14   2.713  -6.140   0.756
   96    HB2  TRP  14           HB2      TRP  14   3.409  -3.326  -0.095
   97    HB3  TRP  14           HB3      TRP  14   4.371  -4.709  -0.572
   98    HD1  TRP  14           HD1      TRP  14   1.165  -2.947  -1.382
   99    HE1  TRP  14           HE1      TRP  14   0.091  -4.022  -3.479
  100    HE3  TRP  14           HE3      TRP  14   4.194  -7.054  -1.852
  101    HZ2  TRP  14           HZ2      TRP  14   0.465  -6.367  -5.081
  102    HZ3  TRP  14           HZ3      TRP  14   3.812  -8.694  -3.679
  103    HH2  TRP  14           HH2      TRP  14   1.951  -8.371  -5.290
  104    H    PHE  15           H        PHE  15   4.364  -7.156   1.708
  105    HA   PHE  15           HA       PHE  15   5.742  -5.862   4.000
  106    HB2  PHE  15           HB2      PHE  15   4.547  -7.879   4.503
  107    HB3  PHE  15           HB3      PHE  15   5.279  -8.732   3.156
  108    HD1  PHE  15           HD1      PHE  15   7.065 -10.180   3.593
  109    HD2  PHE  15           HD2      PHE  15   6.334  -6.894   6.291
  110    HE1  PHE  15           HE1      PHE  15   8.882 -10.988   5.078
  111    HE2  PHE  15           HE2      PHE  15   8.151  -7.704   7.768
  112    HZ   PHE  15           HZ       PHE  15   9.429  -9.753   7.168
  113    H    GLY  16           H        GLY  16   7.925  -5.671   4.190
  114    HA2  GLY  16           HA2      GLY  16  10.161  -5.744   3.801
  115    HA3  GLY  16           HA3      GLY  16   9.868  -7.179   2.826
  116    H    THR  17           H        THR  17   8.238  -5.528   0.874
  117    HA   THR  17           HA       THR  17  10.327  -4.970  -0.976
  118    HB   THR  17           HB       THR  17   8.114  -5.856  -1.565
  119    HG1  THR  17           HG1      THR  17   7.865  -4.599  -3.417
  120   HG21  THR  17          HG21      THR  17   6.199  -4.346  -1.867
  121   HG22  THR  17          HG22      THR  17   6.626  -4.565  -0.159
  122   HG23  THR  17          HG23      THR  17   7.057  -3.065  -0.999
  123    H    LYS  18           H        LYS  18   8.613  -2.818   1.156
  124    HA   LYS  18           HA       LYS  18   8.742  -0.626   1.711
  125    HB2  LYS  18           HB2      LYS  18  11.509  -0.834   0.488
  126    HB3  LYS  18           HB3      LYS  18  10.959   0.467   1.539
  127    HG2  LYS  18           HG2      LYS  18  10.637  -1.001   3.403
  128    HG3  LYS  18           HG3      LYS  18  10.887  -2.444   2.426
  129    HD2  LYS  18           HD2      LYS  18  13.050  -0.356   2.899
  130    HD3  LYS  18           HD3      LYS  18  12.832  -1.816   3.880
  131    HE2  LYS  18           HE2      LYS  18  13.083  -3.228   1.841
  132    HE3  LYS  18           HE3      LYS  18  13.370  -1.777   0.874
  133    HZ1  LYS  18           HZ1      LYS  18  15.081  -2.688   3.127
  134    HZ2  LYS  18           HZ2      LYS  18  15.456  -2.815   1.545
  135    HZ3  LYS  18           HZ3      LYS  18  15.347  -1.341   2.238
  136    H    THR  19           H        THR  19   8.832  -1.255  -1.598
  137    HA   THR  19           HA       THR  19   7.620   1.427  -2.115
  138    HB   THR  19           HB       THR  19   9.917   1.186  -3.148
  139    HG1  THR  19           HG1      THR  19   8.721   2.716  -4.015
  140   HG21  THR  19          HG21      THR  19  10.134  -0.055  -5.226
  141   HG22  THR  19          HG22      THR  19   9.707  -1.188  -3.930
  142   HG23  THR  19          HG23      THR  19   8.471  -0.668  -5.098
  143    H    CYS  20           H        CYS  20   6.068   1.424  -3.954
  144    HA   CYS  20           HA       CYS  20   4.431  -1.038  -3.867
  145    HB2  CYS  20           HB2      CYS  20   3.800   1.729  -4.921
  146    HB3  CYS  20           HB3      CYS  20   2.692   0.357  -4.986
  147    HA   PRO  21           HA       PRO  21   5.773  -2.126  -8.012
  148    HB2  PRO  21           HB2      PRO  21   3.963  -4.097  -8.603
  149    HB3  PRO  21           HB3      PRO  21   5.285  -4.318  -7.416
  150    HG2  PRO  21           HG2      PRO  21   2.392  -3.630  -6.879
  151    HG3  PRO  21           HG3      PRO  21   3.408  -4.832  -6.024
  152    HD2  PRO  21           HD2      PRO  21   2.990  -2.350  -5.012
  153    HD3  PRO  21           HD3      PRO  21   4.536  -3.217  -4.808
  154    H    SER  22           H        SER  22   5.532  -0.437  -9.222
  155    HA   SER  22           HA       SER  22   3.406   1.211  -9.598
  156    HB2  SER  22           HB2      SER  22   5.538   0.617 -11.690
  157    HB3  SER  22           HB3      SER  22   4.647   2.126 -11.451
  158    HG   SER  22           HG       SER  22   6.737   2.215 -10.511
  159    H    ASN  23           H        ASN  23   4.039  -1.700 -11.502
  160    HA   ASN  23           HA       ASN  23   2.200  -1.038 -13.641
  161    HB2  ASN  23           HB2      ASN  23   3.455  -3.722 -12.926
  162    HB3  ASN  23           HB3      ASN  23   2.765  -3.259 -14.482
  163   HD21  ASN  23          HD21      ASN  23   3.851  -1.152 -15.463
  164   HD22  ASN  23          HD22      ASN  23   5.601  -1.139 -15.326
  165    H    ARG  24           H        ARG  24   1.549  -2.069 -10.484
  166    HA   ARG  24           HA       ARG  24  -0.759  -3.768 -11.104
  167    HB2  ARG  24           HB2      ARG  24   0.890  -4.014  -9.208
  168    HB3  ARG  24           HB3      ARG  24   0.066  -2.682  -8.401
  169    HG2  ARG  24           HG2      ARG  24  -1.887  -3.944  -8.032
  170    HG3  ARG  24           HG3      ARG  24  -1.606  -4.985  -9.443
  171    HD2  ARG  24           HD2      ARG  24   0.314  -6.017  -8.321
  172    HD3  ARG  24           HD3      ARG  24  -0.019  -5.062  -6.861
  173    HE   ARG  24           HE       ARG  24  -2.389  -6.239  -7.065
  174   HH11  ARG  24          HH11      ARG  24   0.638  -7.917  -7.719
  175   HH12  ARG  24          HH12      ARG  24  -0.075  -9.458  -7.325
  176   HH21  ARG  24          HH21      ARG  24  -3.174  -8.083  -6.641
  177   HH22  ARG  24          HH22      ARG  24  -2.227  -9.575  -6.692
  178    H    GLY  25           H        GLY  25  -0.347  -0.435 -11.016
  179    HA2  GLY  25           HA2      GLY  25  -1.935   1.127 -11.685
  180    HA3  GLY  25           HA3      GLY  25  -3.227  -0.040 -11.408
  181    H    TYR  26           H        TYR  26  -0.957   0.680  -8.801
  182    HA   TYR  26           HA       TYR  26  -3.035   1.698  -7.073
  183    HB2  TYR  26           HB2      TYR  26  -0.007   1.710  -6.789
  184    HB3  TYR  26           HB3      TYR  26  -1.133   2.160  -5.515
  185    HD1  TYR  26           HD1      TYR  26   0.911  -0.462  -6.532
  186    HD2  TYR  26           HD2      TYR  26  -3.147   0.281  -5.231
  187    HE1  TYR  26           HE1      TYR  26   0.690  -2.821  -5.781
  188    HE2  TYR  26           HE2      TYR  26  -3.354  -2.085  -4.523
  189    HH   TYR  26           HH       TYR  26  -2.355  -4.150  -4.510
  190    H    THR  27           H        THR  27  -3.505   3.764  -6.403
  191    HA   THR  27           HA       THR  27  -2.578   5.986  -8.158
  192    HB   THR  27           HB       THR  27  -4.508   7.213  -7.291
  193    HG1  THR  27           HG1      THR  27  -5.975   6.171  -5.968
  194   HG21  THR  27          HG21      THR  27  -4.794   5.754  -9.293
  195   HG22  THR  27          HG22      THR  27  -5.333   4.430  -8.235
  196   HG23  THR  27          HG23      THR  27  -6.283   5.927  -8.348
  197    H    GLY  28           H        GLY  28  -2.072   4.786  -4.967
  198    HA2  GLY  28           HA2      GLY  28  -0.084   6.788  -4.443
  199    HA3  GLY  28           HA3      GLY  28  -1.510   7.082  -3.454
  200    H    SER  29           H        SER  29   0.576   6.692  -2.012
  201    HA   SER  29           HA       SER  29   0.352   4.038  -0.785
  202    HB2  SER  29           HB2      SER  29   2.682   3.470  -1.023
  203    HB3  SER  29           HB3      SER  29   1.954   3.694  -2.625
  204    HG   SER  29           HG       SER  29   2.946   5.713  -2.771
  205    H    CYS  30           H        CYS  30   1.650   3.791   1.171
  206    HA   CYS  30           HA       CYS  30   3.069   6.082   2.228
  207    HB2  CYS  30           HB2      CYS  30   1.753   6.427   4.226
  208    HB3  CYS  30           HB3      CYS  30   0.700   6.625   2.824
  209    H    GLY  31           H        GLY  31   4.584   5.526   3.824
  210    HA2  GLY  31           HA2      GLY  31   5.394   2.794   3.991
  211    HA3  GLY  31           HA3      GLY  31   5.982   4.103   5.019
  212    H    TYR  32           H        TYR  32   5.030   1.182   5.515
  213    HA   TYR  32           HA       TYR  32   3.088   1.730   7.718
  214    HB2  TYR  32           HB2      TYR  32   2.377   0.649   5.322
  215    HB3  TYR  32           HB3      TYR  32   2.866  -0.806   6.154
  216    HD1  TYR  32           HD1      TYR  32   1.141  -1.913   7.406
  217    HD2  TYR  32           HD2      TYR  32   0.841   2.326   6.633
  218    HE1  TYR  32           HE1      TYR  32  -1.174  -1.897   8.337
  219    HE2  TYR  32           HE2      TYR  32  -1.441   2.345   7.613
  220    HH   TYR  32           HH       TYR  32  -3.076   1.121   8.662
  221    H    PHE  33           H        PHE  33   2.924  -0.421   9.141
  222    HA   PHE  33           HA       PHE  33   5.463  -0.696  10.377
  223    HB2  PHE  33           HB2      PHE  33   3.253  -1.068  11.465
  224    HB3  PHE  33           HB3      PHE  33   3.105  -2.577  10.552
  225    HD1  PHE  33           HD1      PHE  33   5.664  -0.877  12.767
  226    HD2  PHE  33           HD2      PHE  33   3.580  -4.522  11.769
  227    HE1  PHE  33           HE1      PHE  33   6.874  -2.069  14.578
  228    HE2  PHE  33           HE2      PHE  33   4.778  -5.703  13.595
  229    HZ   PHE  33           HZ       PHE  33   6.433  -4.481  14.995
  230    H    LEU  34           H        LEU  34   7.194  -1.839   9.860
  231    HA   LEU  34           HA       LEU  34   8.650  -3.158   8.824
  232    HB2  LEU  34           HB2      LEU  34   6.537  -5.313   8.954
  233    HB3  LEU  34           HB3      LEU  34   8.279  -5.546   8.858
  234    HG   LEU  34           HG       LEU  34   6.825  -4.282  11.220
  235   HD11  LEU  34          HD11      LEU  34   6.297  -6.632  10.889
  236   HD12  LEU  34          HD12      LEU  34   8.029  -7.037  10.821
  237   HD13  LEU  34          HD13      LEU  34   7.311  -6.408  12.330
  238   HD21  LEU  34          HD21      LEU  34   9.132  -3.457  11.073
  239   HD22  LEU  34          HD22      LEU  34   8.963  -4.595  12.411
  240   HD23  LEU  34          HD23      LEU  34   9.736  -5.122  10.897
  241    H    GLY  35           H        GLY  35   6.350  -1.984   7.054
  242    HA2  GLY  35           HA2      GLY  35   7.399  -2.857   4.445
  243    HA3  GLY  35           HA3      GLY  35   5.799  -3.487   4.832
  244    H    ILE  36           H        ILE  36   4.606  -2.422   3.341
  245    HA   ILE  36           HA       ILE  36   4.264   0.501   3.570
  246    HB   ILE  36           HB       ILE  36   5.997   0.508   2.028
  247   HG12  ILE  36          HG12      ILE  36   3.537   0.508   0.248
  248   HG13  ILE  36          HG13      ILE  36   3.881   1.764   1.414
  249   HG21  ILE  36          HG21      ILE  36   6.165  -0.867  -0.010
  250   HG22  ILE  36          HG22      ILE  36   6.092  -1.910   1.402
  251   HG23  ILE  36          HG23      ILE  36   4.649  -1.670   0.395
  252   HD11  ILE  36          HD11      ILE  36   5.505   1.040  -1.019
  253   HD12  ILE  36          HD12      ILE  36   4.662   2.561  -0.682
  254   HD13  ILE  36          HD13      ILE  36   6.106   2.145   0.253
  255    H    CYS  37           H        CYS  37   2.373   1.285   2.856
  256    HA   CYS  37           HA       CYS  37   0.160  -0.613   2.242
  257    HB2  CYS  37           HB2      CYS  37  -0.070   0.768   4.237
  258    HB3  CYS  37           HB3      CYS  37   0.386   2.201   3.342
  259    H    CYS  38           H        CYS  38  -0.634  -0.591   0.206
  260    HA   CYS  38           HA       CYS  38  -0.052   1.690  -1.653
  261    HB2  CYS  38           HB2      CYS  38  -0.206  -1.254  -2.310
  262    HB3  CYS  38           HB3      CYS  38   0.150   0.035  -3.441
  263    H    TYR  39           H        TYR  39  -1.882   2.485  -2.671
  264    HA   TYR  39           HA       TYR  39  -4.436   1.013  -2.278
  265    HB2  TYR  39           HB2      TYR  39  -5.507   3.159  -1.568
  266    HB3  TYR  39           HB3      TYR  39  -4.456   2.377  -0.425
  267    HD1  TYR  39           HD1      TYR  39  -2.617   3.475   0.562
  268    HD2  TYR  39           HD2      TYR  39  -4.707   5.265  -2.763
  269    HE1  TYR  39           HE1      TYR  39  -1.517   5.653   1.048
  270    HE2  TYR  39           HE2      TYR  39  -3.630   7.454  -2.252
  271    HH   TYR  39           HH       TYR  39  -1.286   7.857   0.426
  272    HA   PRO  40           HA       PRO  40  -6.865   1.809  -2.626
  273    HB2  PRO  40           HB2      PRO  40  -8.655   0.705  -4.343
  274    HB3  PRO  40           HB3      PRO  40  -8.428   2.472  -4.180
  275    HG2  PRO  40           HG2      PRO  40  -7.166   0.621  -6.240
  276    HG3  PRO  40           HG3      PRO  40  -8.072   2.143  -6.537
  277    HD2  PRO  40           HD2      PRO  40  -5.364   2.127  -6.420
  278    HD3  PRO  40           HD3      PRO  40  -6.304   3.467  -5.703
  279    H    VAL  41           H        VAL  41  -7.826  -0.216  -1.930
  280    HA   VAL  41           HA       VAL  41  -6.078  -2.423  -1.770
  281    HB   VAL  41           HB       VAL  41  -7.790  -1.726  -0.113
  282   HG11  VAL  41          HG11      VAL  41 -10.102  -2.384  -0.278
  283   HG12  VAL  41          HG12      VAL  41  -9.713  -1.327  -1.641
  284   HG13  VAL  41          HG13      VAL  41  -9.848  -3.081  -1.889
  285   HG21  VAL  41          HG21      VAL  41  -8.481  -3.961   0.605
  286   HG22  VAL  41          HG22      VAL  41  -7.995  -4.634  -0.962
  287   HG23  VAL  41          HG23      VAL  41  -6.787  -3.903   0.131
  288    H    ASP  42           H        ASP  42  -6.036  -4.431  -2.704
  289    HA   ASP  42           HA       ASP  42  -7.480  -4.787  -5.297
  290    HB2  ASP  42           HB2      ASP  42  -5.248  -3.894  -5.652
  291    HB3  ASP  42           HB3      ASP  42  -4.540  -5.155  -4.648
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -5.747 -11.321   0.689
    2    H2   GLY   1           H2       GLY   1  -4.726 -12.306   1.504
    3    H3   GLY   1           H3       GLY   1  -4.449 -11.968  -0.075
    4    HA2  GLY   1           HA2      GLY   1  -2.925 -10.721   1.300
    5    HA3  GLY   1           HA3      GLY   1  -4.033  -9.652   0.422
    6    H    THR   2           H        THR   2  -3.096  -8.311   2.317
    7    HA   THR   2           HA       THR   2  -4.962  -8.392   4.663
    8    HB   THR   2           HB       THR   2  -1.981  -7.783   4.738
    9    HG1  THR   2           HG1      THR   2  -1.859  -9.713   5.881
   10   HG21  THR   2          HG21      THR   2  -3.166  -6.535   6.488
   11   HG22  THR   2          HG22      THR   2  -4.052  -8.001   6.973
   12   HG23  THR   2          HG23      THR   2  -2.293  -7.884   7.213
   13    H    THR   3           H        THR   3  -5.828  -6.406   5.246
   14    HA   THR   3           HA       THR   3  -5.545  -4.230   3.390
   15    HB   THR   3           HB       THR   3  -7.055  -3.168   5.412
   16    HG1  THR   3           HG1      THR   3  -7.093  -4.903   6.757
   17   HG21  THR   3          HG21      THR   3  -7.713  -3.290   3.142
   18   HG22  THR   3          HG22      THR   3  -7.848  -5.068   3.189
   19   HG23  THR   3          HG23      THR   3  -8.988  -4.060   4.114
   20    H    CYS   4           H        CYS   4  -5.166  -2.104   3.798
   21    HA   CYS   4           HA       CYS   4  -3.707  -1.350   6.247
   22    HB2  CYS   4           HB2      CYS   4  -1.922  -0.314   5.099
   23    HB3  CYS   4           HB3      CYS   4  -2.084  -1.922   4.423
   24    H    TYR   5           H        TYR   5  -3.595   1.091   6.545
   25    HA   TYR   5           HA       TYR   5  -5.749   2.569   5.089
   26    HB2  TYR   5           HB2      TYR   5  -5.429   2.420   8.109
   27    HB3  TYR   5           HB3      TYR   5  -6.514   3.499   7.254
   28    HD1  TYR   5           HD1      TYR   5  -5.871  -0.039   8.177
   29    HD2  TYR   5           HD2      TYR   5  -8.638   2.739   6.370
   30    HE1  TYR   5           HE1      TYR   5  -7.673  -1.763   8.276
   31    HE2  TYR   5           HE2      TYR   5 -10.442   1.032   6.510
   32    HH   TYR   5           HH       TYR   5 -11.009  -1.099   7.148
   33    H    CYS   6           H        CYS   6  -5.168   4.564   4.459
   34    HA   CYS   6           HA       CYS   6  -3.232   6.108   6.136
   35    HB2  CYS   6           HB2      CYS   6  -3.033   5.539   3.172
   36    HB3  CYS   6           HB3      CYS   6  -2.287   6.969   3.874
   37    H    GLY   7           H        GLY   7  -4.166   8.009   6.730
   38    HA2  GLY   7           HA2      GLY   7  -5.619   9.806   6.759
   39    HA3  GLY   7           HA3      GLY   7  -5.437   9.863   5.001
   40    H    LYS   8           H        LYS   8  -6.814   7.184   6.829
   41    HA   LYS   8           HA       LYS   8  -8.643   5.937   6.613
   42    HB2  LYS   8           HB2      LYS   8  -9.587   8.221   7.542
   43    HB3  LYS   8           HB3      LYS   8 -10.449   8.247   6.000
   44    HG2  LYS   8           HG2      LYS   8 -11.377   5.954   6.561
   45    HG3  LYS   8           HG3      LYS   8 -10.473   5.998   8.074
   46    HD2  LYS   8           HD2      LYS   8 -12.743   6.549   8.559
   47    HD3  LYS   8           HD3      LYS   8 -11.782   8.021   8.767
   48    HE2  LYS   8           HE2      LYS   8 -12.506   8.816   6.529
   49    HE3  LYS   8           HE3      LYS   8 -13.400   7.311   6.273
   50    HZ1  LYS   8           HZ1      LYS   8 -14.864   9.089   7.040
   51    HZ2  LYS   8           HZ2      LYS   8 -14.817   7.910   8.165
   52    HZ3  LYS   8           HZ3      LYS   8 -13.993   9.300   8.402
   53    H    THR   9           H        THR   9  -7.162   6.827   4.055
   54    HA   THR   9           HA       THR   9  -9.031   5.714   2.032
   55    HB   THR   9           HB       THR   9  -6.178   6.726   1.678
   56    HG1  THR   9           HG1      THR   9  -8.674   7.887   0.951
   57   HG21  THR   9          HG21      THR   9  -6.748   6.680  -0.728
   58   HG22  THR   9          HG22      THR   9  -6.773   5.064  -0.018
   59   HG23  THR   9          HG23      THR   9  -8.304   5.905  -0.348
   60    H    ILE  10           H        ILE  10  -9.211   3.638   2.325
   61    HA   ILE  10           HA       ILE  10  -7.210   1.963   3.550
   62    HB   ILE  10           HB       ILE  10  -9.619   1.711   3.907
   63   HG12  ILE  10          HG12      ILE  10  -8.376  -0.767   2.638
   64   HG13  ILE  10          HG13      ILE  10  -8.218  -0.231   4.317
   65   HG21  ILE  10          HG21      ILE  10  -9.784   0.750   1.032
   66   HG22  ILE  10          HG22      ILE  10 -11.127   0.918   2.191
   67   HG23  ILE  10          HG23      ILE  10 -10.301   2.355   1.594
   68   HD11  ILE  10          HD11      ILE  10 -10.710  -1.276   2.939
   69   HD12  ILE  10          HD12      ILE  10  -9.852  -1.944   4.336
   70   HD13  ILE  10          HD13      ILE  10 -10.759  -0.435   4.506
   71    H    GLY  11           H        GLY  11  -5.974   0.329   2.639
   72    HA2  GLY  11           HA2      GLY  11  -5.929  -0.057  -0.310
   73    HA3  GLY  11           HA3      GLY  11  -4.471   0.464   0.525
   74    H    ILE  12           H        ILE  12  -3.760  -1.474  -0.537
   75    HA   ILE  12           HA       ILE  12  -4.105  -3.981   1.000
   76    HB   ILE  12           HB       ILE  12  -3.768  -3.359  -1.797
   77   HG12  ILE  12          HG12      ILE  12  -5.281  -5.006  -0.986
   78   HG13  ILE  12          HG13      ILE  12  -4.175  -5.668  -2.183
   79   HG21  ILE  12          HG21      ILE  12  -1.374  -4.905  -0.787
   80   HG22  ILE  12          HG22      ILE  12  -1.951  -4.870  -2.452
   81   HG23  ILE  12          HG23      ILE  12  -1.434  -3.359  -1.680
   82   HD11  ILE  12          HD11      ILE  12  -4.498  -7.336  -0.505
   83   HD12  ILE  12          HD12      ILE  12  -2.842  -6.730  -0.324
   84   HD13  ILE  12          HD13      ILE  12  -4.127  -6.204   0.792
   85    H    TYR  13           H        TYR  13  -2.403  -4.877   2.054
   86    HA   TYR  13           HA       TYR  13  -0.074  -3.103   2.620
   87    HB2  TYR  13           HB2      TYR  13  -1.275  -3.928   4.558
   88    HB3  TYR  13           HB3      TYR  13  -1.116  -5.583   4.001
   89    HD1  TYR  13           HD1      TYR  13   1.052  -2.610   4.843
   90    HD2  TYR  13           HD2      TYR  13   0.620  -6.906   4.820
   91    HE1  TYR  13           HE1      TYR  13   3.189  -2.835   6.111
   92    HE2  TYR  13           HE2      TYR  13   2.747  -7.122   6.100
   93    HH   TYR  13           HH       TYR  13   4.464  -4.277   7.351
   94    H    TRP  14           H        TRP  14   1.877  -3.442   1.875
   95    HA   TRP  14           HA       TRP  14   2.681  -6.114   0.792
   96    HB2  TRP  14           HB2      TRP  14   3.376  -3.298  -0.063
   97    HB3  TRP  14           HB3      TRP  14   4.331  -4.707  -0.518
   98    HD1  TRP  14           HD1      TRP  14   1.164  -2.882  -1.377
   99    HE1  TRP  14           HE1      TRP  14   0.060  -3.973  -3.450
  100    HE3  TRP  14           HE3      TRP  14   4.079  -7.080  -1.753
  101    HZ2  TRP  14           HZ2      TRP  14   0.348  -6.379  -4.977
  102    HZ3  TRP  14           HZ3      TRP  14   3.633  -8.765  -3.525
  103    HH2  TRP  14           HH2      TRP  14   1.769  -8.436  -5.130
  104    H    PHE  15           H        PHE  15   4.383  -7.082   1.679
  105    HA   PHE  15           HA       PHE  15   5.875  -5.720   3.873
  106    HB2  PHE  15           HB2      PHE  15   4.559  -7.635   4.552
  107    HB3  PHE  15           HB3      PHE  15   5.281  -8.636   3.301
  108    HD1  PHE  15           HD1      PHE  15   7.032 -10.070   3.922
  109    HD2  PHE  15           HD2      PHE  15   6.338  -6.495   6.233
  110    HE1  PHE  15           HE1      PHE  15   8.815 -10.749   5.513
  111    HE2  PHE  15           HE2      PHE  15   8.130  -7.172   7.813
  112    HZ   PHE  15           HZ       PHE  15   9.368  -9.300   7.459
  113    H    GLY  16           H        GLY  16   8.094  -5.792   3.999
  114    HA2  GLY  16           HA2      GLY  16  10.292  -6.091   3.478
  115    HA3  GLY  16           HA3      GLY  16   9.804  -7.424   2.438
  116    H    THR  17           H        THR  17   8.228  -5.594   0.657
  117    HA   THR  17           HA       THR  17  10.249  -5.001  -1.256
  118    HB   THR  17           HB       THR  17   8.016  -5.668  -1.882
  119    HG1  THR  17           HG1      THR  17   7.732  -3.277  -3.005
  120   HG21  THR  17          HG21      THR  17   6.626  -4.587  -0.187
  121   HG22  THR  17          HG22      THR  17   7.029  -2.987  -0.835
  122   HG23  THR  17          HG23      THR  17   6.102  -4.133  -1.816
  123    H    LYS  18           H        LYS  18   8.750  -2.906   1.107
  124    HA   LYS  18           HA       LYS  18   8.888  -0.733   1.704
  125    HB2  LYS  18           HB2      LYS  18  11.634  -0.801   0.422
  126    HB3  LYS  18           HB3      LYS  18  11.044   0.401   1.570
  127    HG2  LYS  18           HG2      LYS  18  10.710  -1.384   3.274
  128    HG3  LYS  18           HG3      LYS  18  11.395  -2.571   2.158
  129    HD2  LYS  18           HD2      LYS  18  12.863  -0.122   3.226
  130    HD3  LYS  18           HD3      LYS  18  13.017  -1.770   3.855
  131    HE2  LYS  18           HE2      LYS  18  13.822  -2.546   1.629
  132    HE3  LYS  18           HE3      LYS  18  13.719  -0.888   1.019
  133    HZ1  LYS  18           HZ1      LYS  18  15.371  -0.239   2.690
  134    HZ2  LYS  18           HZ2      LYS  18  15.472  -1.774   3.247
  135    HZ3  LYS  18           HZ3      LYS  18  15.974  -1.419   1.738
  136    H    THR  19           H        THR  19   9.048  -1.274  -1.665
  137    HA   THR  19           HA       THR  19   7.814   1.409  -2.134
  138    HB   THR  19           HB       THR  19  10.131   1.100  -3.154
  139    HG1  THR  19           HG1      THR  19   8.987   2.699  -3.979
  140   HG21  THR  19          HG21      THR  19  10.288  -0.099  -5.265
  141   HG22  THR  19          HG22      THR  19   9.817  -1.243  -3.995
  142   HG23  THR  19          HG23      THR  19   8.601  -0.641  -5.145
  143    H    CYS  20           H        CYS  20   6.309   1.447  -4.004
  144    HA   CYS  20           HA       CYS  20   4.554  -0.919  -3.856
  145    HB2  CYS  20           HB2      CYS  20   3.855   1.654  -3.636
  146    HB3  CYS  20           HB3      CYS  20   3.802   1.555  -5.383
  147    HA   PRO  21           HA       PRO  21   5.782  -2.186  -7.993
  148    HB2  PRO  21           HB2      PRO  21   3.928  -4.120  -8.500
  149    HB3  PRO  21           HB3      PRO  21   5.270  -4.319  -7.334
  150    HG2  PRO  21           HG2      PRO  21   2.398  -3.568  -6.762
  151    HG3  PRO  21           HG3      PRO  21   3.407  -4.770  -5.903
  152    HD2  PRO  21           HD2      PRO  21   3.057  -2.259  -4.944
  153    HD3  PRO  21           HD3      PRO  21   4.584  -3.147  -4.737
  154    H    SER  22           H        SER  22   5.464  -0.392  -9.190
  155    HA   SER  22           HA       SER  22   3.148   1.103  -9.531
  156    HB2  SER  22           HB2      SER  22   5.493   1.798 -10.019
  157    HB3  SER  22           HB3      SER  22   5.443   0.845 -11.514
  158    HG   SER  22           HG       SER  22   4.943   3.082 -11.836
  159    H    ASN  23           H        ASN  23   4.189  -1.636 -11.514
  160    HA   ASN  23           HA       ASN  23   2.333  -1.313 -13.669
  161    HB2  ASN  23           HB2      ASN  23   3.777  -3.784 -12.610
  162    HB3  ASN  23           HB3      ASN  23   2.923  -3.701 -14.147
  163   HD21  ASN  23          HD21      ASN  23   5.978  -3.303 -12.729
  164   HD22  ASN  23          HD22      ASN  23   6.699  -2.393 -14.047
  165    H    ARG  24           H        ARG  24   1.629  -2.199 -10.429
  166    HA   ARG  24           HA       ARG  24  -0.676  -3.902 -11.065
  167    HB2  ARG  24           HB2      ARG  24   0.915  -4.110  -9.107
  168    HB3  ARG  24           HB3      ARG  24   0.069  -2.754  -8.366
  169    HG2  ARG  24           HG2      ARG  24  -1.897  -3.997  -8.028
  170    HG3  ARG  24           HG3      ARG  24  -1.583  -5.069  -9.409
  171    HD2  ARG  24           HD2      ARG  24   0.293  -6.096  -8.208
  172    HD3  ARG  24           HD3      ARG  24  -0.076  -5.107  -6.779
  173    HE   ARG  24           HE       ARG  24  -2.450  -6.268  -7.035
  174   HH11  ARG  24          HH11      ARG  24   0.581  -7.988  -7.564
  175   HH12  ARG  24          HH12      ARG  24  -0.159  -9.513  -7.160
  176   HH21  ARG  24          HH21      ARG  24  -3.264  -8.098  -6.597
  177   HH22  ARG  24          HH22      ARG  24  -2.328  -9.597  -6.585
  178    H    GLY  25           H        GLY  25  -0.205  -0.578 -11.080
  179    HA2  GLY  25           HA2      GLY  25  -1.735   0.985 -11.851
  180    HA3  GLY  25           HA3      GLY  25  -3.051  -0.165 -11.618
  181    H    TYR  26           H        TYR  26  -0.907   0.631  -8.928
  182    HA   TYR  26           HA       TYR  26  -3.074   1.623  -7.308
  183    HB2  TYR  26           HB2      TYR  26  -0.060   1.698  -6.908
  184    HB3  TYR  26           HB3      TYR  26  -1.236   2.149  -5.678
  185    HD1  TYR  26           HD1      TYR  26   0.928  -0.399  -6.437
  186    HD2  TYR  26           HD2      TYR  26  -3.252   0.237  -5.498
  187    HE1  TYR  26           HE1      TYR  26   0.699  -2.761  -5.675
  188    HE2  TYR  26           HE2      TYR  26  -3.444  -2.109  -4.724
  189    HH   TYR  26           HH       TYR  26  -2.387  -4.135  -4.548
  190    H    THR  27           H        THR  27  -3.536   3.673  -6.556
  191    HA   THR  27           HA       THR  27  -2.667   5.905  -8.329
  192    HB   THR  27           HB       THR  27  -5.096   5.342  -7.955
  193    HG1  THR  27           HG1      THR  27  -5.640   7.504  -7.981
  194   HG21  THR  27          HG21      THR  27  -4.722   6.843  -5.327
  195   HG22  THR  27          HG22      THR  27  -6.239   6.241  -6.026
  196   HG23  THR  27          HG23      THR  27  -5.017   5.098  -5.456
  197    H    GLY  28           H        GLY  28  -2.045   4.693  -5.170
  198    HA2  GLY  28           HA2      GLY  28   0.082   6.552  -4.788
  199    HA3  GLY  28           HA3      GLY  28  -1.251   6.978  -3.719
  200    H    SER  29           H        SER  29   1.109   6.334  -2.621
  201    HA   SER  29           HA       SER  29   0.455   3.974  -1.035
  202    HB2  SER  29           HB2      SER  29   2.645   2.897  -1.325
  203    HB3  SER  29           HB3      SER  29   1.705   2.926  -2.813
  204    HG   SER  29           HG       SER  29   3.857   4.697  -2.157
  205    H    CYS  30           H        CYS  30   1.728   3.735   0.870
  206    HA   CYS  30           HA       CYS  30   3.194   6.095   1.907
  207    HB2  CYS  30           HB2      CYS  30   1.515   6.081   3.856
  208    HB3  CYS  30           HB3      CYS  30   0.949   6.788   2.340
  209    H    GLY  31           H        GLY  31   4.584   5.591   3.605
  210    HA2  GLY  31           HA2      GLY  31   5.326   2.864   3.998
  211    HA3  GLY  31           HA3      GLY  31   5.865   4.219   4.990
  212    H    TYR  32           H        TYR  32   4.791   1.340   5.530
  213    HA   TYR  32           HA       TYR  32   2.723   2.032   7.580
  214    HB2  TYR  32           HB2      TYR  32   2.055   0.884   5.318
  215    HB3  TYR  32           HB3      TYR  32   2.752  -0.558   6.025
  216    HD1  TYR  32           HD1      TYR  32   1.302  -1.913   7.414
  217    HD2  TYR  32           HD2      TYR  32   0.314   2.220   6.662
  218    HE1  TYR  32           HE1      TYR  32  -0.938  -2.267   8.426
  219    HE2  TYR  32           HE2      TYR  32  -1.906   1.873   7.733
  220    HH   TYR  32           HH       TYR  32  -2.953  -1.307   8.992
  221    H    PHE  33           H        PHE  33   2.468  -0.050   9.107
  222    HA   PHE  33           HA       PHE  33   4.930  -0.297  10.540
  223    HB2  PHE  33           HB2      PHE  33   2.628  -0.552  11.491
  224    HB3  PHE  33           HB3      PHE  33   2.506  -2.106  10.657
  225    HD1  PHE  33           HD1      PHE  33   4.974  -0.328  12.919
  226    HD2  PHE  33           HD2      PHE  33   2.841  -3.976  12.032
  227    HE1  PHE  33           HE1      PHE  33   6.037  -1.429  14.873
  228    HE2  PHE  33           HE2      PHE  33   3.895  -5.064  14.001
  229    HZ   PHE  33           HZ       PHE  33   5.500  -3.796  15.418
  230    H    LEU  34           H        LEU  34   6.627  -1.557  10.233
  231    HA   LEU  34           HA       LEU  34   8.110  -2.967   9.370
  232    HB2  LEU  34           HB2      LEU  34   5.865  -4.990   9.286
  233    HB3  LEU  34           HB3      LEU  34   7.586  -5.339   9.340
  234    HG   LEU  34           HG       LEU  34   6.027  -3.973  11.573
  235   HD11  LEU  34          HD11      LEU  34   7.049  -6.818  11.286
  236   HD12  LEU  34          HD12      LEU  34   6.256  -6.124  12.725
  237   HD13  LEU  34          HD13      LEU  34   5.352  -6.289  11.207
  238   HD21  LEU  34          HD21      LEU  34   8.396  -3.331  11.630
  239   HD22  LEU  34          HD22      LEU  34   8.022  -4.449  12.945
  240   HD23  LEU  34          HD23      LEU  34   8.879  -5.041  11.501
  241    H    GLY  35           H        GLY  35   5.927  -1.794   7.305
  242    HA2  GLY  35           HA2      GLY  35   7.302  -2.677   4.860
  243    HA3  GLY  35           HA3      GLY  35   5.696  -3.368   5.073
  244    H    ILE  36           H        ILE  36   4.594  -2.372   3.458
  245    HA   ILE  36           HA       ILE  36   4.215   0.566   3.569
  246    HB   ILE  36           HB       ILE  36   5.979   0.534   2.083
  247   HG12  ILE  36          HG12      ILE  36   3.572   0.380   0.226
  248   HG13  ILE  36          HG13      ILE  36   3.876   1.719   1.311
  249   HG21  ILE  36          HG21      ILE  36   4.764  -1.809   0.592
  250   HG22  ILE  36          HG22      ILE  36   6.234  -0.946   0.123
  251   HG23  ILE  36          HG23      ILE  36   6.210  -1.870   1.619
  252   HD11  ILE  36          HD11      ILE  36   6.090   2.097   0.178
  253   HD12  ILE  36          HD12      ILE  36   5.601   0.867  -1.020
  254   HD13  ILE  36          HD13      ILE  36   4.668   2.353  -0.845
  255    H    CYS  37           H        CYS  37   2.335   1.321   2.854
  256    HA   CYS  37           HA       CYS  37   0.126  -0.595   2.272
  257    HB2  CYS  37           HB2      CYS  37  -0.115   0.728   4.270
  258    HB3  CYS  37           HB3      CYS  37   0.317   2.200   3.434
  259    H    CYS  38           H        CYS  38  -0.764  -0.539   0.280
  260    HA   CYS  38           HA       CYS  38  -0.226   1.718  -1.620
  261    HB2  CYS  38           HB2      CYS  38  -0.279  -1.277  -2.089
  262    HB3  CYS  38           HB3      CYS  38  -0.288  -0.070  -3.363
  263    H    TYR  39           H        TYR  39  -2.038   2.463  -2.746
  264    HA   TYR  39           HA       TYR  39  -4.601   1.032  -2.305
  265    HB2  TYR  39           HB2      TYR  39  -5.691   3.193  -1.691
  266    HB3  TYR  39           HB3      TYR  39  -4.616   2.491  -0.512
  267    HD1  TYR  39           HD1      TYR  39  -2.847   3.721   0.434
  268    HD2  TYR  39           HD2      TYR  39  -4.856   5.181  -3.093
  269    HE1  TYR  39           HE1      TYR  39  -1.675   5.912   0.667
  270    HE2  TYR  39           HE2      TYR  39  -3.677   7.365  -2.861
  271    HH   TYR  39           HH       TYR  39  -1.356   8.008  -0.209
  272    HA   PRO  40           HA       PRO  40  -7.011   1.780  -2.753
  273    HB2  PRO  40           HB2      PRO  40  -8.751   0.583  -4.459
  274    HB3  PRO  40           HB3      PRO  40  -8.548   2.359  -4.373
  275    HG2  PRO  40           HG2      PRO  40  -7.220   0.429  -6.319
  276    HG3  PRO  40           HG3      PRO  40  -8.137   1.924  -6.705
  277    HD2  PRO  40           HD2      PRO  40  -5.430   1.941  -6.526
  278    HD3  PRO  40           HD3      PRO  40  -6.400   3.308  -5.903
  279    H    VAL  41           H        VAL  41  -7.964  -0.236  -2.008
  280    HA   VAL  41           HA       VAL  41  -6.170  -2.426  -1.779
  281    HB   VAL  41           HB       VAL  41  -7.879  -1.728  -0.122
  282   HG11  VAL  41          HG11      VAL  41 -10.183  -2.419  -0.264
  283   HG12  VAL  41          HG12      VAL  41  -9.817  -1.379  -1.646
  284   HG13  VAL  41          HG13      VAL  41  -9.929  -3.140  -1.863
  285   HG21  VAL  41          HG21      VAL  41  -8.534  -3.969   0.625
  286   HG22  VAL  41          HG22      VAL  41  -8.044  -4.648  -0.938
  287   HG23  VAL  41          HG23      VAL  41  -6.842  -3.890   0.142
  288    H    ASP  42           H        ASP  42  -6.057  -4.404  -2.739
  289    HA   ASP  42           HA       ASP  42  -7.548  -4.814  -5.297
  290    HB2  ASP  42           HB2      ASP  42  -5.333  -3.890  -5.682
  291    HB3  ASP  42           HB3      ASP  42  -4.595  -5.134  -4.682
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -4.855 -11.476  -0.287
    2    H2   GLY   1           H2       GLY   1  -5.919 -10.315   0.170
    3    H3   GLY   1           H3       GLY   1  -5.511 -11.511   1.214
    4    HA2  GLY   1           HA2      GLY   1  -3.244 -10.727   1.340
    5    HA3  GLY   1           HA3      GLY   1  -3.666  -9.447   0.189
    6    H    THR   2           H        THR   2  -2.640  -9.247   2.962
    7    HA   THR   2           HA       THR   2  -4.704  -8.442   4.775
    8    HB   THR   2           HB       THR   2  -1.785  -7.593   4.770
    9    HG1  THR   2           HG1      THR   2  -2.971  -9.912   5.895
   10   HG21  THR   2          HG21      THR   2  -3.795  -7.952   7.039
   11   HG22  THR   2          HG22      THR   2  -2.048  -7.676   7.249
   12   HG23  THR   2          HG23      THR   2  -3.049  -6.430   6.502
   13    H    THR   3           H        THR   3  -5.635  -6.450   5.242
   14    HA   THR   3           HA       THR   3  -5.463  -4.333   3.283
   15    HB   THR   3           HB       THR   3  -6.955  -3.281   5.330
   16    HG1  THR   3           HG1      THR   3  -8.193  -4.961   6.172
   17   HG21  THR   3          HG21      THR   3  -8.906  -4.217   4.095
   18   HG22  THR   3          HG22      THR   3  -7.673  -3.457   3.069
   19   HG23  THR   3          HG23      THR   3  -7.781  -5.236   3.162
   20    H    CYS   4           H        CYS   4  -5.179  -2.149   3.724
   21    HA   CYS   4           HA       CYS   4  -3.723  -1.384   6.157
   22    HB2  CYS   4           HB2      CYS   4  -1.952  -0.292   5.045
   23    HB3  CYS   4           HB3      CYS   4  -2.054  -1.889   4.343
   24    H    TYR   5           H        TYR   5  -3.721   1.029   6.527
   25    HA   TYR   5           HA       TYR   5  -5.867   2.476   5.026
   26    HB2  TYR   5           HB2      TYR   5  -5.643   2.255   8.050
   27    HB3  TYR   5           HB3      TYR   5  -6.707   3.354   7.192
   28    HD1  TYR   5           HD1      TYR   5  -6.075  -0.212   8.017
   29    HD2  TYR   5           HD2      TYR   5  -8.795   2.616   6.220
   30    HE1  TYR   5           HE1      TYR   5  -7.872  -1.943   8.007
   31    HE2  TYR   5           HE2      TYR   5 -10.597   0.901   6.252
   32    HH   TYR   5           HH       TYR   5 -11.177  -1.248   6.809
   33    H    CYS   6           H        CYS   6  -5.328   4.495   4.454
   34    HA   CYS   6           HA       CYS   6  -3.662   6.116   6.299
   35    HB2  CYS   6           HB2      CYS   6  -2.707   5.112   3.680
   36    HB3  CYS   6           HB3      CYS   6  -2.527   6.846   3.880
   37    H    GLY   7           H        GLY   7  -4.366   8.184   6.469
   38    HA2  GLY   7           HA2      GLY   7  -5.678  10.053   6.137
   39    HA3  GLY   7           HA3      GLY   7  -5.331   9.848   4.416
   40    H    LYS   8           H        LYS   8  -7.172   7.640   6.496
   41    HA   LYS   8           HA       LYS   8  -9.121   6.531   6.214
   42    HB2  LYS   8           HB2      LYS   8 -10.212   9.237   5.395
   43    HB3  LYS   8           HB3      LYS   8 -11.177   7.823   5.834
   44    HG2  LYS   8           HG2      LYS   8 -10.080   7.781   8.080
   45    HG3  LYS   8           HG3      LYS   8  -9.229   9.284   7.668
   46    HD2  LYS   8           HD2      LYS   8 -11.395  10.442   7.373
   47    HD3  LYS   8           HD3      LYS   8 -12.259   8.935   7.757
   48    HE2  LYS   8           HE2      LYS   8 -11.159   8.886   9.992
   49    HE3  LYS   8           HE3      LYS   8 -10.326  10.399   9.614
   50    HZ1  LYS   8           HZ1      LYS   8 -12.340  10.794  10.914
   51    HZ2  LYS   8           HZ2      LYS   8 -12.510  11.476   9.442
   52    HZ3  LYS   8           HZ3      LYS   8 -13.278  10.075   9.790
   53    H    THR   9           H        THR   9  -7.301   6.733   3.876
   54    HA   THR   9           HA       THR   9  -9.103   5.603   1.784
   55    HB   THR   9           HB       THR   9  -6.212   6.517   1.467
   56    HG1  THR   9           HG1      THR   9  -7.649   8.255   1.734
   57   HG21  THR   9          HG21      THR   9  -8.322   5.610  -0.547
   58   HG22  THR   9          HG22      THR   9  -6.730   6.293  -0.949
   59   HG23  THR   9          HG23      THR   9  -6.834   4.739  -0.113
   60    H    ILE  10           H        ILE  10  -9.290   3.520   2.110
   61    HA   ILE  10           HA       ILE  10  -7.316   1.868   3.464
   62    HB   ILE  10           HB       ILE  10  -9.733   1.547   3.702
   63   HG12  ILE  10          HG12      ILE  10  -8.356  -0.866   2.446
   64   HG13  ILE  10          HG13      ILE  10  -8.285  -0.356   4.138
   65   HG21  ILE  10          HG21      ILE  10 -11.137   0.748   1.905
   66   HG22  ILE  10          HG22      ILE  10 -10.326   2.217   1.373
   67   HG23  ILE  10          HG23      ILE  10  -9.738   0.641   0.806
   68   HD11  ILE  10          HD11      ILE  10  -9.863  -2.130   4.042
   69   HD12  ILE  10          HD12      ILE  10 -10.818  -0.652   4.229
   70   HD13  ILE  10          HD13      ILE  10 -10.693  -1.442   2.639
   71    H    GLY  11           H        GLY  11  -6.008   0.286   2.581
   72    HA2  GLY  11           HA2      GLY  11  -5.770   0.021  -0.374
   73    HA3  GLY  11           HA3      GLY  11  -4.372   0.490   0.581
   74    H    ILE  12           H        ILE  12  -3.662  -1.411  -0.570
   75    HA   ILE  12           HA       ILE  12  -4.050  -3.945   0.917
   76    HB   ILE  12           HB       ILE  12  -3.739  -3.290  -1.870
   77   HG12  ILE  12          HG12      ILE  12  -5.274  -4.910  -1.055
   78   HG13  ILE  12          HG13      ILE  12  -4.193  -5.587  -2.269
   79   HG21  ILE  12          HG21      ILE  12  -1.971  -4.846  -2.546
   80   HG22  ILE  12          HG22      ILE  12  -1.418  -3.329  -1.800
   81   HG23  ILE  12          HG23      ILE  12  -1.357  -4.870  -0.895
   82   HD11  ILE  12          HD11      ILE  12  -2.862  -6.672  -0.404
   83   HD12  ILE  12          HD12      ILE  12  -4.165  -6.154   0.696
   84   HD13  ILE  12          HD13      ILE  12  -4.520  -7.267  -0.621
   85    H    TYR  13           H        TYR  13  -2.357  -4.857   1.961
   86    HA   TYR  13           HA       TYR  13  -0.023  -3.085   2.538
   87    HB2  TYR  13           HB2      TYR  13  -1.193  -3.887   4.486
   88    HB3  TYR  13           HB3      TYR  13  -1.103  -5.544   3.918
   89    HD1  TYR  13           HD1      TYR  13   1.184  -2.664   4.766
   90    HD2  TYR  13           HD2      TYR  13   0.587  -6.941   4.687
   91    HE1  TYR  13           HE1      TYR  13   3.335  -2.994   5.994
   92    HE2  TYR  13           HE2      TYR  13   2.719  -7.257   5.934
   93    HH   TYR  13           HH       TYR  13   4.571  -4.507   7.190
   94    H    TRP  14           H        TRP  14   1.901  -3.411   1.753
   95    HA   TRP  14           HA       TRP  14   2.678  -6.071   0.610
   96    HB2  TRP  14           HB2      TRP  14   3.481  -3.251  -0.094
   97    HB3  TRP  14           HB3      TRP  14   4.447  -4.639  -0.556
   98    HD1  TRP  14           HD1      TRP  14   1.200  -2.885  -1.385
   99    HE1  TRP  14           HE1      TRP  14   0.106  -3.956  -3.466
  100    HE3  TRP  14           HE3      TRP  14   4.336  -6.892  -1.990
  101    HZ2  TRP  14           HZ2      TRP  14   0.470  -6.298  -5.072
  102    HZ3  TRP  14           HZ3      TRP  14   3.930  -8.536  -3.812
  103    HH2  TRP  14           HH2      TRP  14   2.000  -8.256  -5.352
  104    H    PHE  15           H        PHE  15   4.051  -7.218   1.713
  105    HA   PHE  15           HA       PHE  15   5.566  -6.092   3.994
  106    HB2  PHE  15           HB2      PHE  15   4.232  -8.087   4.374
  107    HB3  PHE  15           HB3      PHE  15   4.999  -8.916   3.031
  108    HD1  PHE  15           HD1      PHE  15   7.003 -10.170   3.342
  109    HD2  PHE  15           HD2      PHE  15   5.704  -7.423   6.402
  110    HE1  PHE  15           HE1      PHE  15   8.766 -11.028   4.866
  111    HE2  PHE  15           HE2      PHE  15   7.467  -8.278   7.919
  112    HZ   PHE  15           HZ       PHE  15   9.003 -10.083   7.157
  113    H    GLY  16           H        GLY  16   7.792  -6.138   4.180
  114    HA2  GLY  16           HA2      GLY  16  10.007  -6.410   3.654
  115    HA3  GLY  16           HA3      GLY  16   9.514  -7.756   2.626
  116    H    THR  17           H        THR  17   8.353  -4.513   1.890
  117    HA   THR  17           HA       THR  17  10.455  -4.014  -0.102
  118    HB   THR  17           HB       THR  17   8.557  -5.165  -1.306
  119    HG1  THR  17           HG1      THR  17   8.543  -3.548  -2.912
  120   HG21  THR  17          HG21      THR  17   6.679  -4.125   0.014
  121   HG22  THR  17          HG22      THR  17   7.007  -2.620  -0.877
  122   HG23  THR  17          HG23      THR  17   6.519  -4.075  -1.753
  123    H    LYS  18           H        LYS  18  10.510  -1.862  -0.767
  124    HA   LYS  18           HA       LYS  18   9.699   0.109   1.336
  125    HB2  LYS  18           HB2      LYS  18  12.080  -0.206   0.922
  126    HB3  LYS  18           HB3      LYS  18  11.898   0.162  -0.792
  127    HG2  LYS  18           HG2      LYS  18  10.970   2.171   1.246
  128    HG3  LYS  18           HG3      LYS  18  12.703   1.980   1.004
  129    HD2  LYS  18           HD2      LYS  18  12.670   2.701  -1.217
  130    HD3  LYS  18           HD3      LYS  18  10.957   2.421  -1.436
  131    HE2  LYS  18           HE2      LYS  18  12.194   4.624   0.264
  132    HE3  LYS  18           HE3      LYS  18  11.474   4.801  -1.341
  133    HZ1  LYS  18           HZ1      LYS  18  10.045   4.096   1.156
  134    HZ2  LYS  18           HZ2      LYS  18   9.819   5.420   0.230
  135    HZ3  LYS  18           HZ3      LYS  18   9.355   3.937  -0.307
  136    H    THR  19           H        THR  19   9.120  -0.646  -1.973
  137    HA   THR  19           HA       THR  19   7.467   1.823  -2.325
  138    HB   THR  19           HB       THR  19   9.683   1.891  -3.546
  139    HG1  THR  19           HG1      THR  19   8.673   2.799  -5.327
  140   HG21  THR  19          HG21      THR  19   9.684  -0.476  -4.390
  141   HG22  THR  19          HG22      THR  19   8.298  -0.076  -5.429
  142   HG23  THR  19          HG23      THR  19   9.863   0.730  -5.676
  143    H    CYS  20           H        CYS  20   5.835   1.661  -4.056
  144    HA   CYS  20           HA       CYS  20   4.435  -0.923  -3.894
  145    HB2  CYS  20           HB2      CYS  20   3.582   1.757  -5.029
  146    HB3  CYS  20           HB3      CYS  20   2.561   0.318  -4.966
  147    HA   PRO  21           HA       PRO  21   5.918  -2.128  -7.935
  148    HB2  PRO  21           HB2      PRO  21   4.128  -4.139  -8.527
  149    HB3  PRO  21           HB3      PRO  21   5.467  -4.308  -7.349
  150    HG2  PRO  21           HG2      PRO  21   2.564  -3.657  -6.780
  151    HG3  PRO  21           HG3      PRO  21   3.609  -4.838  -5.936
  152    HD2  PRO  21           HD2      PRO  21   3.141  -2.373  -4.947
  153    HD3  PRO  21           HD3      PRO  21   4.747  -3.147  -4.776
  154    H    SER  22           H        SER  22   5.736  -0.981  -9.653
  155    HA   SER  22           HA       SER  22   3.714   0.826 -10.167
  156    HB2  SER  22           HB2      SER  22   5.734  -0.240 -12.176
  157    HB3  SER  22           HB3      SER  22   4.953   1.350 -12.168
  158    HG   SER  22           HG       SER  22   7.069   1.434 -11.289
  159    H    ASN  23           H        ASN  23   3.952  -2.430 -11.501
  160    HA   ASN  23           HA       ASN  23   2.109  -1.963 -13.707
  161    HB2  ASN  23           HB2      ASN  23   3.249  -4.521 -12.500
  162    HB3  ASN  23           HB3      ASN  23   2.313  -4.439 -13.988
  163   HD21  ASN  23          HD21      ASN  23   5.468  -4.517 -12.850
  164   HD22  ASN  23          HD22      ASN  23   6.233  -3.789 -14.253
  165    H    ARG  24           H        ARG  24   1.502  -2.347 -10.395
  166    HA   ARG  24           HA       ARG  24  -0.930  -4.005 -10.602
  167    HB2  ARG  24           HB2      ARG  24   0.503  -2.749  -8.300
  168    HB3  ARG  24           HB3      ARG  24  -0.976  -3.714  -8.188
  169    HG2  ARG  24           HG2      ARG  24   0.751  -5.249  -9.887
  170    HG3  ARG  24           HG3      ARG  24   1.802  -4.588  -8.651
  171    HD2  ARG  24           HD2      ARG  24   1.065  -6.573  -7.708
  172    HD3  ARG  24           HD3      ARG  24  -0.014  -5.356  -6.995
  173    HE   ARG  24           HE       ARG  24  -0.716  -7.195  -9.263
  174   HH11  ARG  24          HH11      ARG  24  -1.894  -5.384  -6.434
  175   HH12  ARG  24          HH12      ARG  24  -3.494  -6.102  -6.665
  176   HH21  ARG  24          HH21      ARG  24  -2.841  -7.945  -9.356
  177   HH22  ARG  24          HH22      ARG  24  -3.975  -7.349  -8.139
  178    H    GLY  25           H        GLY  25  -0.390  -0.680 -10.998
  179    HA2  GLY  25           HA2      GLY  25  -1.957   0.889 -11.663
  180    HA3  GLY  25           HA3      GLY  25  -3.261  -0.221 -11.246
  181    H    TYR  26           H        TYR  26  -0.883   0.579  -8.775
  182    HA   TYR  26           HA       TYR  26  -2.890   1.689  -7.046
  183    HB2  TYR  26           HB2      TYR  26   0.140   1.631  -6.819
  184    HB3  TYR  26           HB3      TYR  26  -0.949   2.137  -5.526
  185    HD1  TYR  26           HD1      TYR  26   1.003  -0.558  -6.538
  186    HD2  TYR  26           HD2      TYR  26  -3.010   0.322  -5.178
  187    HE1  TYR  26           HE1      TYR  26   0.697  -2.919  -5.827
  188    HE2  TYR  26           HE2      TYR  26  -3.305  -2.041  -4.509
  189    HH   TYR  26           HH       TYR  26  -2.382  -4.135  -4.516
  190    H    THR  27           H        THR  27  -3.296   3.755  -6.382
  191    HA   THR  27           HA       THR  27  -2.327   5.942  -8.172
  192    HB   THR  27           HB       THR  27  -4.791   5.335  -7.972
  193    HG1  THR  27           HG1      THR  27  -3.925   7.986  -7.478
  194   HG21  THR  27          HG21      THR  27  -4.878   5.260  -5.442
  195   HG22  THR  27          HG22      THR  27  -4.679   7.020  -5.434
  196   HG23  THR  27          HG23      THR  27  -6.098   6.289  -6.208
  197    H    GLY  28           H        GLY  28  -1.926   4.807  -4.965
  198    HA2  GLY  28           HA2      GLY  28  -0.071   6.893  -4.313
  199    HA3  GLY  28           HA3      GLY  28  -1.571   7.111  -3.414
  200    H    SER  29           H        SER  29   0.566   6.760  -1.928
  201    HA   SER  29           HA       SER  29   0.368   4.085  -0.729
  202    HB2  SER  29           HB2      SER  29   2.756   3.618  -0.997
  203    HB3  SER  29           HB3      SER  29   1.931   3.764  -2.559
  204    HG   SER  29           HG       SER  29   3.621   5.714  -1.332
  205    H    CYS  30           H        CYS  30   1.599   3.828   1.246
  206    HA   CYS  30           HA       CYS  30   3.034   6.111   2.329
  207    HB2  CYS  30           HB2      CYS  30   1.720   6.438   4.314
  208    HB3  CYS  30           HB3      CYS  30   0.639   6.599   2.927
  209    H    GLY  31           H        GLY  31   4.559   5.539   3.910
  210    HA2  GLY  31           HA2      GLY  31   5.359   2.794   4.029
  211    HA3  GLY  31           HA3      GLY  31   5.982   4.088   5.052
  212    H    TYR  32           H        TYR  32   5.010   1.182   5.548
  213    HA   TYR  32           HA       TYR  32   3.025   1.716   7.721
  214    HB2  TYR  32           HB2      TYR  32   2.445   0.557   5.324
  215    HB3  TYR  32           HB3      TYR  32   2.965  -0.856   6.206
  216    HD1  TYR  32           HD1      TYR  32   1.233  -2.020   7.399
  217    HD2  TYR  32           HD2      TYR  32   0.779   2.184   6.522
  218    HE1  TYR  32           HE1      TYR  32  -1.104  -2.096   8.237
  219    HE2  TYR  32           HE2      TYR  32  -1.558   2.101   7.362
  220    HH   TYR  32           HH       TYR  32  -3.023  -0.903   8.649
  221    H    PHE  33           H        PHE  33   2.901  -0.427   9.169
  222    HA   PHE  33           HA       PHE  33   5.500  -0.723  10.366
  223    HB2  PHE  33           HB2      PHE  33   3.252  -0.939  11.505
  224    HB3  PHE  33           HB3      PHE  33   3.094  -2.519  10.729
  225    HD1  PHE  33           HD1      PHE  33   5.658  -0.591  12.737
  226    HD2  PHE  33           HD2      PHE  33   3.634  -4.353  12.115
  227    HE1  PHE  33           HE1      PHE  33   6.918  -1.583  14.629
  228    HE2  PHE  33           HE2      PHE  33   4.889  -5.335  14.020
  229    HZ   PHE  33           HZ       PHE  33   6.540  -3.957  15.272
  230    H    LEU  34           H        LEU  34   7.117  -2.108   9.937
  231    HA   LEU  34           HA       LEU  34   8.445  -3.567   8.878
  232    HB2  LEU  34           HB2      LEU  34   6.060  -5.426   8.896
  233    HB3  LEU  34           HB3      LEU  34   7.748  -5.897   8.777
  234    HG   LEU  34           HG       LEU  34   6.510  -4.534  11.205
  235   HD11  LEU  34          HD11      LEU  34   5.584  -6.753  10.795
  236   HD12  LEU  34          HD12      LEU  34   7.223  -7.439  10.698
  237   HD13  LEU  34          HD13      LEU  34   6.627  -6.752  12.231
  238   HD21  LEU  34          HD21      LEU  34   8.928  -4.117  11.066
  239   HD22  LEU  34          HD22      LEU  34   8.563  -5.260  12.362
  240   HD23  LEU  34          HD23      LEU  34   9.227  -5.856  10.824
  241    H    GLY  35           H        GLY  35   6.214  -2.127   7.068
  242    HA2  GLY  35           HA2      GLY  35   7.394  -2.874   4.492
  243    HA3  GLY  35           HA3      GLY  35   5.793  -3.560   4.746
  244    H    ILE  36           H        ILE  36   4.646  -2.446   3.258
  245    HA   ILE  36           HA       ILE  36   4.251   0.472   3.613
  246    HB   ILE  36           HB       ILE  36   5.977   0.552   2.073
  247   HG12  ILE  36          HG12      ILE  36   3.524   0.580   0.278
  248   HG13  ILE  36          HG13      ILE  36   3.867   1.816   1.466
  249   HG21  ILE  36          HG21      ILE  36   4.676  -1.502   0.258
  250   HG22  ILE  36          HG22      ILE  36   6.262  -0.734   0.075
  251   HG23  ILE  36          HG23      ILE  36   6.003  -1.885   1.376
  252   HD11  ILE  36          HD11      ILE  36   4.641   2.623  -0.646
  253   HD12  ILE  36          HD12      ILE  36   6.071   2.242   0.320
  254   HD13  ILE  36          HD13      ILE  36   5.523   1.122  -0.965
  255    H    CYS  37           H        CYS  37   2.364   1.286   2.890
  256    HA   CYS  37           HA       CYS  37   0.154  -0.605   2.245
  257    HB2  CYS  37           HB2      CYS  37  -0.079   0.742   4.250
  258    HB3  CYS  37           HB3      CYS  37   0.367   2.195   3.379
  259    H    CYS  38           H        CYS  38  -0.684  -0.528   0.220
  260    HA   CYS  38           HA       CYS  38  -0.074   1.749  -1.631
  261    HB2  CYS  38           HB2      CYS  38  -0.205  -1.203  -2.267
  262    HB3  CYS  38           HB3      CYS  38   0.128   0.083  -3.415
  263    H    TYR  39           H        TYR  39  -1.896   2.540  -2.678
  264    HA   TYR  39           HA       TYR  39  -4.447   1.061  -2.317
  265    HB2  TYR  39           HB2      TYR  39  -5.539   3.185  -1.576
  266    HB3  TYR  39           HB3      TYR  39  -4.470   2.407  -0.448
  267    HD1  TYR  39           HD1      TYR  39  -2.628   3.516   0.529
  268    HD2  TYR  39           HD2      TYR  39  -4.789   5.313  -2.748
  269    HE1  TYR  39           HE1      TYR  39  -1.591   5.722   1.052
  270    HE2  TYR  39           HE2      TYR  39  -3.765   7.517  -2.211
  271    HH   TYR  39           HH       TYR  39  -2.348   8.678  -0.827
  272    HA   PRO  40           HA       PRO  40  -6.898   1.917  -2.672
  273    HB2  PRO  40           HB2      PRO  40  -8.670   0.792  -4.393
  274    HB3  PRO  40           HB3      PRO  40  -8.436   2.561  -4.259
  275    HG2  PRO  40           HG2      PRO  40  -7.147   0.671  -6.267
  276    HG3  PRO  40           HG3      PRO  40  -8.056   2.183  -6.604
  277    HD2  PRO  40           HD2      PRO  40  -5.352   2.197  -6.451
  278    HD3  PRO  40           HD3      PRO  40  -6.313   3.531  -5.751
  279    H    VAL  41           H        VAL  41  -7.861  -0.066  -1.937
  280    HA   VAL  41           HA       VAL  41  -6.153  -2.335  -1.790
  281    HB   VAL  41           HB       VAL  41  -7.751  -1.599  -0.055
  282   HG11  VAL  41          HG11      VAL  41  -9.717  -1.054  -1.473
  283   HG12  VAL  41          HG12      VAL  41  -9.969  -2.791  -1.749
  284   HG13  VAL  41          HG13      VAL  41 -10.101  -2.117  -0.116
  285   HG21  VAL  41          HG21      VAL  41  -8.542  -3.802   0.658
  286   HG22  VAL  41          HG22      VAL  41  -8.193  -4.469  -0.948
  287   HG23  VAL  41          HG23      VAL  41  -6.875  -3.855   0.086
  288    H    ASP  42           H        ASP  42  -6.130  -4.301  -2.810
  289    HA   ASP  42           HA       ASP  42  -8.058  -4.806  -5.039
  290    HB2  ASP  42           HB2      ASP  42  -6.010  -3.867  -5.959
  291    HB3  ASP  42           HB3      ASP  42  -5.038  -5.056  -5.101
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -0.591  -7.745   0.562
    2    H2   GLY   1           H2       GLY   1  -1.455  -8.976  -0.113
    3    H3   GLY   1           H3       GLY   1   0.163  -9.128   0.115
    4    HA2  GLY   1           HA2      GLY   1  -0.929 -10.406   1.789
    5    HA3  GLY   1           HA3      GLY   1  -0.125  -9.006   2.520
    6    H    THR   2           H        THR   2  -1.391  -8.337   4.152
    7    HA   THR   2           HA       THR   2  -4.286  -8.633   4.172
    8    HB   THR   2           HB       THR   2  -2.768  -9.019   6.095
    9    HG1  THR   2           HG1      THR   2  -4.249  -8.223   7.544
   10   HG21  THR   2          HG21      THR   2  -2.633  -5.990   6.297
   11   HG22  THR   2          HG22      THR   2  -2.153  -7.142   7.554
   12   HG23  THR   2          HG23      THR   2  -1.278  -7.099   6.023
   13    H    THR   3           H        THR   3  -5.463  -6.530   5.312
   14    HA   THR   3           HA       THR   3  -5.461  -4.414   3.287
   15    HB   THR   3           HB       THR   3  -7.078  -3.478   5.330
   16    HG1  THR   3           HG1      THR   3  -7.083  -5.295   6.558
   17   HG21  THR   3          HG21      THR   3  -7.755  -5.273   2.982
   18   HG22  THR   3          HG22      THR   3  -8.929  -4.312   3.918
   19   HG23  THR   3          HG23      THR   3  -7.641  -3.493   3.011
   20    H    CYS   4           H        CYS   4  -5.172  -2.249   3.653
   21    HA   CYS   4           HA       CYS   4  -3.773  -1.410   6.121
   22    HB2  CYS   4           HB2      CYS   4  -1.979  -0.405   5.025
   23    HB3  CYS   4           HB3      CYS   4  -2.130  -1.978   4.257
   24    H    TYR   5           H        TYR   5  -3.701   1.025   6.369
   25    HA   TYR   5           HA       TYR   5  -5.882   2.448   4.920
   26    HB2  TYR   5           HB2      TYR   5  -5.637   2.255   7.944
   27    HB3  TYR   5           HB3      TYR   5  -6.697   3.355   7.086
   28    HD1  TYR   5           HD1      TYR   5  -6.097  -0.210   7.945
   29    HD2  TYR   5           HD2      TYR   5  -8.805   2.635   6.155
   30    HE1  TYR   5           HE1      TYR   5  -7.923  -1.908   7.998
   31    HE2  TYR   5           HE2      TYR   5 -10.633   0.949   6.243
   32    HH   TYR   5           HH       TYR   5 -11.238  -1.179   6.853
   33    H    CYS   6           H        CYS   6  -5.350   4.477   4.361
   34    HA   CYS   6           HA       CYS   6  -3.710   6.101   6.216
   35    HB2  CYS   6           HB2      CYS   6  -2.708   5.128   3.597
   36    HB3  CYS   6           HB3      CYS   6  -2.524   6.857   3.841
   37    H    GLY   7           H        GLY   7  -4.443   8.169   6.361
   38    HA2  GLY   7           HA2      GLY   7  -5.724  10.046   5.970
   39    HA3  GLY   7           HA3      GLY   7  -5.298   9.824   4.269
   40    H    LYS   8           H        LYS   8  -7.322   7.741   6.330
   41    HA   LYS   8           HA       LYS   8  -9.305   6.701   6.000
   42    HB2  LYS   8           HB2      LYS   8 -10.231   9.385   4.933
   43    HB3  LYS   8           HB3      LYS   8 -11.274   8.043   5.410
   44    HG2  LYS   8           HG2      LYS   8 -10.339   8.139   7.723
   45    HG3  LYS   8           HG3      LYS   8  -9.397   9.571   7.260
   46    HD2  LYS   8           HD2      LYS   8 -11.488  10.777   6.702
   47    HD3  LYS   8           HD3      LYS   8 -12.439   9.341   7.140
   48    HE2  LYS   8           HE2      LYS   8 -11.522   9.448   9.452
   49    HE3  LYS   8           HE3      LYS   8 -10.600  10.893   9.019
   50    HZ1  LYS   8           HZ1      LYS   8 -12.694  11.471  10.107
   51    HZ2  LYS   8           HZ2      LYS   8 -12.716  12.025   8.573
   52    HZ3  LYS   8           HZ3      LYS   8 -13.567  10.687   8.974
   53    H    THR   9           H        THR   9  -7.339   6.701   3.743
   54    HA   THR   9           HA       THR   9  -9.093   5.542   1.626
   55    HB   THR   9           HB       THR   9  -6.188   6.426   1.344
   56    HG1  THR   9           HG1      THR   9  -7.599   8.190   1.559
   57   HG21  THR   9          HG21      THR   9  -8.286   5.519  -0.684
   58   HG22  THR   9          HG22      THR   9  -6.676   6.167  -1.074
   59   HG23  THR   9          HG23      THR   9  -6.820   4.629  -0.212
   60    H    ILE  10           H        ILE  10  -9.306   3.471   2.021
   61    HA   ILE  10           HA       ILE  10  -7.338   1.832   3.402
   62    HB   ILE  10           HB       ILE  10  -9.766   1.529   3.644
   63   HG12  ILE  10          HG12      ILE  10  -8.387  -0.919   2.462
   64   HG13  ILE  10          HG13      ILE  10  -8.322  -0.367   4.140
   65   HG21  ILE  10          HG21      ILE  10 -10.325   2.135   1.285
   66   HG22  ILE  10          HG22      ILE  10  -9.737   0.538   0.775
   67   HG23  ILE  10          HG23      ILE  10 -11.150   0.683   1.852
   68   HD11  ILE  10          HD11      ILE  10 -10.845  -0.667   4.240
   69   HD12  ILE  10          HD12      ILE  10 -10.728  -1.479   2.660
   70   HD13  ILE  10          HD13      ILE  10  -9.891  -2.149   4.069
   71    H    GLY  11           H        GLY  11  -6.105   0.150   2.512
   72    HA2  GLY  11           HA2      GLY  11  -5.859  -0.114  -0.436
   73    HA3  GLY  11           HA3      GLY  11  -4.461   0.429   0.492
   74    H    ILE  12           H        ILE  12  -3.594  -1.415  -0.558
   75    HA   ILE  12           HA       ILE  12  -3.979  -3.984   0.871
   76    HB   ILE  12           HB       ILE  12  -3.605  -3.277  -1.899
   77   HG12  ILE  12          HG12      ILE  12  -5.168  -4.896  -1.144
   78   HG13  ILE  12          HG13      ILE  12  -4.068  -5.567  -2.342
   79   HG21  ILE  12          HG21      ILE  12  -1.800  -4.836  -2.534
   80   HG22  ILE  12          HG22      ILE  12  -1.283  -3.325  -1.750
   81   HG23  ILE  12          HG23      ILE  12  -1.253  -4.878  -0.863
   82   HD11  ILE  12          HD11      ILE  12  -4.467  -7.255  -0.691
   83   HD12  ILE  12          HD12      ILE  12  -2.791  -6.706  -0.503
   84   HD13  ILE  12          HD13      ILE  12  -4.054  -6.162   0.629
   85    H    TYR  13           H        TYR  13  -2.305  -4.914   1.921
   86    HA   TYR  13           HA       TYR  13   0.024  -3.166   2.574
   87    HB2  TYR  13           HB2      TYR  13  -1.189  -3.993   4.492
   88    HB3  TYR  13           HB3      TYR  13  -1.080  -5.646   3.902
   89    HD1  TYR  13           HD1      TYR  13   1.122  -2.768   4.906
   90    HD2  TYR  13           HD2      TYR  13   0.655  -7.051   4.585
   91    HE1  TYR  13           HE1      TYR  13   3.270  -3.100   6.135
   92    HE2  TYR  13           HE2      TYR  13   2.816  -7.372   5.783
   93    HH   TYR  13           HH       TYR  13   4.553  -4.647   7.235
   94    H    TRP  14           H        TRP  14   1.965  -3.511   1.869
   95    HA   TRP  14           HA       TRP  14   2.780  -6.167   0.739
   96    HB2  TRP  14           HB2      TRP  14   3.458  -3.328  -0.038
   97    HB3  TRP  14           HB3      TRP  14   4.451  -4.701  -0.521
   98    HD1  TRP  14           HD1      TRP  14   1.275  -2.897  -1.356
   99    HE1  TRP  14           HE1      TRP  14   0.223  -3.891  -3.497
  100    HE3  TRP  14           HE3      TRP  14   4.221  -7.061  -1.875
  101    HZ2  TRP  14           HZ2      TRP  14   0.578  -6.189  -5.165
  102    HZ3  TRP  14           HZ3      TRP  14   3.830  -8.645  -3.751
  103    HH2  TRP  14           HH2      TRP  14   2.013  -8.227  -5.393
  104    H    PHE  15           H        PHE  15   4.550  -7.131   1.593
  105    HA   PHE  15           HA       PHE  15   5.788  -5.907   4.008
  106    HB2  PHE  15           HB2      PHE  15   4.714  -8.048   4.302
  107    HB3  PHE  15           HB3      PHE  15   5.618  -8.749   2.966
  108    HD1  PHE  15           HD1      PHE  15   7.851  -9.605   3.266
  109    HD2  PHE  15           HD2      PHE  15   5.944  -7.376   6.426
  110    HE1  PHE  15           HE1      PHE  15   9.678 -10.241   4.824
  111    HE2  PHE  15           HE2      PHE  15   7.771  -8.005   7.975
  112    HZ   PHE  15           HZ       PHE  15   9.644  -9.441   7.181
  113    H    GLY  16           H        GLY  16   7.909  -5.462   4.198
  114    HA2  GLY  16           HA2      GLY  16  10.139  -5.263   3.852
  115    HA3  GLY  16           HA3      GLY  16  10.028  -6.773   2.961
  116    H    THR  17           H        THR  17   8.272  -5.147   0.939
  117    HA   THR  17           HA       THR  17  10.376  -4.831  -0.945
  118    HB   THR  17           HB       THR  17   8.163  -5.744  -1.447
  119    HG1  THR  17           HG1      THR  17   9.310  -4.966  -3.173
  120   HG21  THR  17          HG21      THR  17   6.256  -4.199  -1.877
  121   HG22  THR  17          HG22      THR  17   6.678  -4.342  -0.160
  122   HG23  THR  17          HG23      THR  17   7.153  -2.901  -1.071
  123    H    LYS  18           H        LYS  18   9.076  -2.465   1.135
  124    HA   LYS  18           HA       LYS  18   9.400  -0.266   1.504
  125    HB2  LYS  18           HB2      LYS  18  11.768  -1.105   1.154
  126    HB3  LYS  18           HB3      LYS  18  11.710  -0.373  -0.452
  127    HG2  LYS  18           HG2      LYS  18  11.209   1.848   0.653
  128    HG3  LYS  18           HG3      LYS  18  11.427   1.069   2.221
  129    HD2  LYS  18           HD2      LYS  18  13.487   1.369  -0.009
  130    HD3  LYS  18           HD3      LYS  18  13.458   2.283   1.493
  131    HE2  LYS  18           HE2      LYS  18  13.881  -0.736   1.278
  132    HE3  LYS  18           HE3      LYS  18  15.171   0.458   1.413
  133    HZ1  LYS  18           HZ1      LYS  18  13.086  -0.005   3.479
  134    HZ2  LYS  18           HZ2      LYS  18  14.646  -0.469   3.578
  135    HZ3  LYS  18           HZ3      LYS  18  14.273   1.118   3.577
  136    H    THR  19           H        THR  19   9.110  -0.981  -1.919
  137    HA   THR  19           HA       THR  19   7.645   1.606  -2.306
  138    HB   THR  19           HB       THR  19   9.888   1.480  -3.457
  139    HG1  THR  19           HG1      THR  19   9.023   2.412  -5.293
  140   HG21  THR  19          HG21      THR  19   9.753  -0.906  -4.231
  141   HG22  THR  19          HG22      THR  19   8.434  -0.448  -5.331
  142   HG23  THR  19          HG23      THR  19  10.058   0.241  -5.547
  143    H    CYS  20           H        CYS  20   6.078   1.517  -4.179
  144    HA   CYS  20           HA       CYS  20   4.475  -0.954  -3.902
  145    HB2  CYS  20           HB2      CYS  20   3.742   1.802  -4.911
  146    HB3  CYS  20           HB3      CYS  20   2.645   0.422  -4.888
  147    HA   PRO  21           HA       PRO  21   5.545  -2.227  -8.079
  148    HB2  PRO  21           HB2      PRO  21   3.574  -4.136  -8.477
  149    HB3  PRO  21           HB3      PRO  21   5.007  -4.392  -7.418
  150    HG2  PRO  21           HG2      PRO  21   2.237  -3.468  -6.659
  151    HG3  PRO  21           HG3      PRO  21   3.177  -4.769  -5.885
  152    HD2  PRO  21           HD2      PRO  21   3.073  -2.313  -4.818
  153    HD3  PRO  21           HD3      PRO  21   4.617  -3.214  -4.832
  154    H    SER  22           H        SER  22   5.245  -1.120  -9.805
  155    HA   SER  22           HA       SER  22   3.190   0.694 -10.306
  156    HB2  SER  22           HB2      SER  22   4.986  -0.639 -12.374
  157    HB3  SER  22           HB3      SER  22   4.227   0.956 -12.466
  158    HG   SER  22           HG       SER  22   6.430   1.092 -11.832
  159    H    ASN  23           H        ASN  23   3.430  -2.673 -11.348
  160    HA   ASN  23           HA       ASN  23   1.401  -2.465 -13.399
  161    HB2  ASN  23           HB2      ASN  23   2.693  -4.942 -12.189
  162    HB3  ASN  23           HB3      ASN  23   1.816  -4.842 -13.717
  163   HD21  ASN  23          HD21      ASN  23   2.782  -3.176 -15.355
  164   HD22  ASN  23          HD22      ASN  23   4.537  -3.146 -15.413
  165    H    ARG  24           H        ARG  24   0.856  -2.330 -10.199
  166    HA   ARG  24           HA       ARG  24  -1.757  -3.799 -10.285
  167    HB2  ARG  24           HB2      ARG  24  -0.428  -2.320  -8.012
  168    HB3  ARG  24           HB3      ARG  24  -1.837  -3.360  -7.891
  169    HG2  ARG  24           HG2      ARG  24   0.998  -4.276  -8.571
  170    HG3  ARG  24           HG3      ARG  24   0.241  -4.348  -6.989
  171    HD2  ARG  24           HD2      ARG  24   0.326  -6.509  -8.029
  172    HD3  ARG  24           HD3      ARG  24  -1.324  -6.001  -7.673
  173    HE   ARG  24           HE       ARG  24  -0.093  -5.812 -10.411
  174   HH11  ARG  24          HH11      ARG  24  -2.947  -6.780  -8.524
  175   HH12  ARG  24          HH12      ARG  24  -3.788  -7.222  -9.976
  176   HH21  ARG  24          HH21      ARG  24  -1.386  -6.073 -12.124
  177   HH22  ARG  24          HH22      ARG  24  -2.919  -6.887 -11.959
  178    H    GLY  25           H        GLY  25  -0.581  -0.715 -10.925
  179    HA2  GLY  25           HA2      GLY  25  -1.731   1.144 -11.683
  180    HA3  GLY  25           HA3      GLY  25  -3.254   0.277 -11.460
  181    H    TYR  26           H        TYR  26  -0.923   0.854  -8.837
  182    HA   TYR  26           HA       TYR  26  -2.910   2.000  -7.120
  183    HB2  TYR  26           HB2      TYR  26   0.120   1.907  -6.932
  184    HB3  TYR  26           HB3      TYR  26  -0.930   2.435  -5.621
  185    HD1  TYR  26           HD1      TYR  26   1.104  -0.154  -6.295
  186    HD2  TYR  26           HD2      TYR  26  -3.108   0.497  -5.539
  187    HE1  TYR  26           HE1      TYR  26   0.881  -2.445  -5.383
  188    HE2  TYR  26           HE2      TYR  26  -3.324  -1.857  -4.787
  189    HH   TYR  26           HH       TYR  26  -2.258  -3.866  -4.534
  190    H    THR  27           H        THR  27  -3.227   4.052  -6.340
  191    HA   THR  27           HA       THR  27  -2.193   6.303  -8.021
  192    HB   THR  27           HB       THR  27  -4.143   7.557  -7.263
  193    HG1  THR  27           HG1      THR  27  -5.736   6.523  -6.086
  194   HG21  THR  27          HG21      THR  27  -4.321   6.167  -9.327
  195   HG22  THR  27          HG22      THR  27  -4.985   4.835  -8.356
  196   HG23  THR  27          HG23      THR  27  -5.871   6.369  -8.493
  197    H    GLY  28           H        GLY  28  -1.929   4.961  -4.853
  198    HA2  GLY  28           HA2      GLY  28  -0.018   7.006  -4.116
  199    HA3  GLY  28           HA3      GLY  28  -1.500   7.141  -3.177
  200    H    SER  29           H        SER  29   0.716   6.748  -1.804
  201    HA   SER  29           HA       SER  29   0.482   4.063  -0.650
  202    HB2  SER  29           HB2      SER  29   2.833   3.526  -0.921
  203    HB3  SER  29           HB3      SER  29   2.075   3.780  -2.507
  204    HG   SER  29           HG       SER  29   4.103   4.834  -2.378
  205    H    CYS  30           H        CYS  30   1.723   3.767   1.321
  206    HA   CYS  30           HA       CYS  30   3.141   6.028   2.459
  207    HB2  CYS  30           HB2      CYS  30   1.769   6.334   4.432
  208    HB3  CYS  30           HB3      CYS  30   0.762   6.583   3.003
  209    H    GLY  31           H        GLY  31   4.597   5.441   4.097
  210    HA2  GLY  31           HA2      GLY  31   5.382   2.696   4.248
  211    HA3  GLY  31           HA3      GLY  31   5.951   3.986   5.310
  212    H    TYR  32           H        TYR  32   4.927   1.072   5.719
  213    HA   TYR  32           HA       TYR  32   2.891   1.624   7.841
  214    HB2  TYR  32           HB2      TYR  32   2.225   0.650   5.431
  215    HB3  TYR  32           HB3      TYR  32   2.732  -0.859   6.159
  216    HD1  TYR  32           HD1      TYR  32   1.010  -2.080   7.319
  217    HD2  TYR  32           HD2      TYR  32   0.642   2.196   6.835
  218    HE1  TYR  32           HE1      TYR  32  -1.307  -2.168   8.231
  219    HE2  TYR  32           HE2      TYR  32  -1.643   2.109   7.802
  220    HH   TYR  32           HH       TYR  32  -3.268   0.788   8.741
  221    H    PHE  33           H        PHE  33   2.581  -0.543   9.196
  222    HA   PHE  33           HA       PHE  33   4.987  -0.949  10.636
  223    HB2  PHE  33           HB2      PHE  33   2.689  -1.323  11.495
  224    HB3  PHE  33           HB3      PHE  33   2.567  -2.753  10.462
  225    HD1  PHE  33           HD1      PHE  33   4.918  -1.331  13.064
  226    HD2  PHE  33           HD2      PHE  33   2.890  -4.814  11.520
  227    HE1  PHE  33           HE1      PHE  33   5.883  -2.707  14.891
  228    HE2  PHE  33           HE2      PHE  33   3.839  -6.179  13.362
  229    HZ   PHE  33           HZ       PHE  33   5.344  -5.131  15.045
  230    H    LEU  34           H        LEU  34   6.745  -2.071  10.174
  231    HA   LEU  34           HA       LEU  34   8.259  -3.369   9.219
  232    HB2  LEU  34           HB2      LEU  34   6.123  -5.497   9.055
  233    HB3  LEU  34           HB3      LEU  34   7.862  -5.754   9.105
  234    HG   LEU  34           HG       LEU  34   6.206  -4.586  11.382
  235   HD11  LEU  34          HD11      LEU  34   7.428  -7.331  10.969
  236   HD12  LEU  34          HD12      LEU  34   6.574  -6.766  12.430
  237   HD13  LEU  34          HD13      LEU  34   5.700  -6.913  10.892
  238   HD21  LEU  34          HD21      LEU  34   8.520  -3.777  11.494
  239   HD22  LEU  34          HD22      LEU  34   8.218  -4.977  12.754
  240   HD23  LEU  34          HD23      LEU  34   9.129  -5.438  11.295
  241    H    GLY  35           H        GLY  35   6.092  -2.117   7.282
  242    HA2  GLY  35           HA2      GLY  35   7.369  -2.891   4.748
  243    HA3  GLY  35           HA3      GLY  35   5.760  -3.570   4.980
  244    H    ILE  36           H        ILE  36   4.607  -2.490   3.476
  245    HA   ILE  36           HA       ILE  36   4.249   0.432   3.722
  246    HB   ILE  36           HB       ILE  36   6.031   0.458   2.239
  247   HG12  ILE  36          HG12      ILE  36   3.631   0.468   0.382
  248   HG13  ILE  36          HG13      ILE  36   3.931   1.712   1.569
  249   HG21  ILE  36          HG21      ILE  36   6.148  -1.952   1.594
  250   HG22  ILE  36          HG22      ILE  36   4.747  -1.697   0.530
  251   HG23  ILE  36          HG23      ILE  36   6.284  -0.884   0.203
  252   HD11  ILE  36          HD11      ILE  36   6.160   2.163   0.491
  253   HD12  ILE  36          HD12      ILE  36   5.674   1.032  -0.810
  254   HD13  ILE  36          HD13      ILE  36   4.755   2.518  -0.520
  255    H    CYS  37           H        CYS  37   2.382   1.222   2.997
  256    HA   CYS  37           HA       CYS  37   0.176  -0.654   2.294
  257    HB2  CYS  37           HB2      CYS  37  -0.093   0.659   4.320
  258    HB3  CYS  37           HB3      CYS  37   0.384   2.122   3.485
  259    H    CYS  38           H        CYS  38  -0.614  -0.557   0.259
  260    HA   CYS  38           HA       CYS  38   0.033   1.743  -1.547
  261    HB2  CYS  38           HB2      CYS  38  -0.099  -1.194  -2.250
  262    HB3  CYS  38           HB3      CYS  38   0.260   0.121  -3.354
  263    H    TYR  39           H        TYR  39  -1.749   2.559  -2.612
  264    HA   TYR  39           HA       TYR  39  -4.320   1.096  -2.391
  265    HB2  TYR  39           HB2      TYR  39  -5.400   3.232  -1.597
  266    HB3  TYR  39           HB3      TYR  39  -4.439   2.334  -0.463
  267    HD1  TYR  39           HD1      TYR  39  -2.515   3.240   0.609
  268    HD2  TYR  39           HD2      TYR  39  -4.561   5.430  -2.497
  269    HE1  TYR  39           HE1      TYR  39  -1.398   5.342   1.356
  270    HE2  TYR  39           HE2      TYR  39  -3.478   7.534  -1.720
  271    HH   TYR  39           HH       TYR  39  -2.042   8.498  -0.212
  272    HA   PRO  40           HA       PRO  40  -6.759   1.978  -2.758
  273    HB2  PRO  40           HB2      PRO  40  -8.463   0.974  -4.629
  274    HB3  PRO  40           HB3      PRO  40  -8.271   2.728  -4.321
  275    HG2  PRO  40           HG2      PRO  40  -6.888   1.058  -6.459
  276    HG3  PRO  40           HG3      PRO  40  -7.809   2.586  -6.677
  277    HD2  PRO  40           HD2      PRO  40  -5.120   2.633  -6.449
  278    HD3  PRO  40           HD3      PRO  40  -6.115   3.862  -5.616
  279    H    VAL  41           H        VAL  41  -7.768  -0.085  -2.238
  280    HA   VAL  41           HA       VAL  41  -5.999  -2.257  -2.056
  281    HB   VAL  41           HB       VAL  41  -7.876  -1.647  -0.530
  282   HG11  VAL  41          HG11      VAL  41  -9.672  -1.310  -2.224
  283   HG12  VAL  41          HG12      VAL  41  -9.710  -3.066  -2.493
  284   HG13  VAL  41          HG13      VAL  41 -10.135  -2.397  -0.908
  285   HG21  VAL  41          HG21      VAL  41  -6.809  -3.779  -0.213
  286   HG22  VAL  41          HG22      VAL  41  -8.534  -3.917   0.100
  287   HG23  VAL  41          HG23      VAL  41  -7.877  -4.548  -1.421
  288    H    ASP  42           H        ASP  42  -5.899  -4.288  -3.004
  289    HA   ASP  42           HA       ASP  42  -7.098  -4.580  -5.728
  290    HB2  ASP  42           HB2      ASP  42  -4.807  -3.802  -5.883
  291    HB3  ASP  42           HB3      ASP  42  -4.250  -5.085  -4.817
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -5.313 -11.674  -0.350
    2    H2   GLY   1           H2       GLY   1  -6.343 -10.711   0.488
    3    H3   GLY   1           H3       GLY   1  -5.684 -12.026   1.208
    4    HA2  GLY   1           HA2      GLY   1  -3.472 -11.076   1.069
    5    HA3  GLY   1           HA3      GLY   1  -4.192  -9.648   0.305
    6    H    THR   2           H        THR   2  -3.120  -8.518   2.107
    7    HA   THR   2           HA       THR   2  -4.739  -8.504   4.641
    8    HB   THR   2           HB       THR   2  -1.768  -7.933   4.323
    9    HG1  THR   2           HG1      THR   2  -2.233 -10.129   4.250
   10   HG21  THR   2          HG21      THR   2  -1.772  -7.930   6.817
   11   HG22  THR   2          HG22      THR   2  -2.685  -6.577   6.144
   12   HG23  THR   2          HG23      THR   2  -3.548  -7.990   6.802
   13    H    THR   3           H        THR   3  -5.686  -6.571   5.136
   14    HA   THR   3           HA       THR   3  -5.457  -4.363   3.298
   15    HB   THR   3           HB       THR   3  -6.974  -3.358   5.341
   16    HG1  THR   3           HG1      THR   3  -6.965  -5.105   6.669
   17   HG21  THR   3          HG21      THR   3  -7.649  -3.475   3.069
   18   HG22  THR   3          HG22      THR   3  -7.770  -5.254   3.115
   19   HG23  THR   3          HG23      THR   3  -8.904  -4.253   4.057
   20    H    CYS   4           H        CYS   4  -5.142  -2.228   3.771
   21    HA   CYS   4           HA       CYS   4  -3.700  -1.501   6.231
   22    HB2  CYS   4           HB2      CYS   4  -1.963  -0.371   5.160
   23    HB3  CYS   4           HB3      CYS   4  -2.032  -1.930   4.387
   24    H    TYR   5           H        TYR   5  -3.649   0.953   6.543
   25    HA   TYR   5           HA       TYR   5  -5.821   2.404   5.120
   26    HB2  TYR   5           HB2      TYR   5  -5.567   2.169   8.140
   27    HB3  TYR   5           HB3      TYR   5  -6.580   3.334   7.312
   28    HD1  TYR   5           HD1      TYR   5  -6.152  -0.267   8.106
   29    HD2  TYR   5           HD2      TYR   5  -8.712   2.733   6.351
   30    HE1  TYR   5           HE1      TYR   5  -8.063  -1.871   8.139
   31    HE2  TYR   5           HE2      TYR   5 -10.623   1.141   6.419
   32    HH   TYR   5           HH       TYR   5 -11.338  -0.958   7.010
   33    H    CYS   6           H        CYS   6  -5.299   4.432   4.602
   34    HA   CYS   6           HA       CYS   6  -3.454   6.002   6.330
   35    HB2  CYS   6           HB2      CYS   6  -2.983   5.279   3.440
   36    HB3  CYS   6           HB3      CYS   6  -2.454   6.849   4.018
   37    H    GLY   7           H        GLY   7  -4.268   8.037   6.661
   38    HA2  GLY   7           HA2      GLY   7  -5.553   9.937   6.406
   39    HA3  GLY   7           HA3      GLY   7  -5.191   9.781   4.684
   40    H    LYS   8           H        LYS   8  -7.177   7.630   6.712
   41    HA   LYS   8           HA       LYS   8  -9.197   6.676   6.433
   42    HB2  LYS   8           HB2      LYS   8  -9.743   9.157   6.962
   43    HB3  LYS   8           HB3      LYS   8 -10.306   9.231   5.289
   44    HG2  LYS   8           HG2      LYS   8 -11.956   7.425   5.779
   45    HG3  LYS   8           HG3      LYS   8 -11.273   7.233   7.395
   46    HD2  LYS   8           HD2      LYS   8 -13.332   8.482   7.538
   47    HD3  LYS   8           HD3      LYS   8 -11.981   9.538   7.976
   48    HE2  LYS   8           HE2      LYS   8 -12.023  10.537   5.697
   49    HE3  LYS   8           HE3      LYS   8 -13.338   9.446   5.239
   50    HZ1  LYS   8           HZ1      LYS   8 -13.503  11.509   7.373
   51    HZ2  LYS   8           HZ2      LYS   8 -14.179  11.630   5.894
   52    HZ3  LYS   8           HZ3      LYS   8 -14.721  10.506   6.945
   53    H    THR   9           H        THR   9  -7.309   6.658   4.135
   54    HA   THR   9           HA       THR   9  -9.141   5.567   2.045
   55    HB   THR   9           HB       THR   9  -6.274   6.536   1.677
   56    HG1  THR   9           HG1      THR   9  -7.723   8.242   1.948
   57   HG21  THR   9          HG21      THR   9  -6.855   4.736   0.110
   58   HG22  THR   9          HG22      THR   9  -8.376   5.558  -0.308
   59   HG23  THR   9          HG23      THR   9  -6.810   6.289  -0.730
   60    H    ILE  10           H        ILE  10  -9.302   3.482   2.342
   61    HA   ILE  10           HA       ILE  10  -7.304   1.808   3.635
   62    HB   ILE  10           HB       ILE  10  -9.735   1.514   3.888
   63   HG12  ILE  10          HG12      ILE  10  -8.371  -0.912   2.647
   64   HG13  ILE  10          HG13      ILE  10  -8.300  -0.394   4.338
   65   HG21  ILE  10          HG21      ILE  10 -10.316   2.176   1.549
   66   HG22  ILE  10          HG22      ILE  10  -9.749   0.585   1.000
   67   HG23  ILE  10          HG23      ILE  10 -11.145   0.720   2.100
   68   HD11  ILE  10          HD11      ILE  10  -9.882  -2.158   4.254
   69   HD12  ILE  10          HD12      ILE  10 -10.830  -0.673   4.431
   70   HD13  ILE  10          HD13      ILE  10 -10.711  -1.475   2.846
   71    H    GLY  11           H        GLY  11  -6.036   0.188   2.676
   72    HA2  GLY  11           HA2      GLY  11  -5.960  -0.090  -0.279
   73    HA3  GLY  11           HA3      GLY  11  -4.505   0.464   0.548
   74    H    ILE  12           H        ILE  12  -3.698  -1.419  -0.518
   75    HA   ILE  12           HA       ILE  12  -4.015  -3.979   0.940
   76    HB   ILE  12           HB       ILE  12  -3.648  -3.268  -1.824
   77   HG12  ILE  12          HG12      ILE  12  -5.137  -4.972  -1.098
   78   HG13  ILE  12          HG13      ILE  12  -3.990  -5.577  -2.286
   79   HG21  ILE  12          HG21      ILE  12  -1.781  -4.756  -2.460
   80   HG22  ILE  12          HG22      ILE  12  -1.325  -3.224  -1.682
   81   HG23  ILE  12          HG23      ILE  12  -1.237  -4.779  -0.796
   82   HD11  ILE  12          HD11      ILE  12  -4.291  -7.306  -0.689
   83   HD12  ILE  12          HD12      ILE  12  -2.676  -6.638  -0.386
   84   HD13  ILE  12          HD13      ILE  12  -4.050  -6.207   0.666
   85    H    TYR  13           H        TYR  13  -2.310  -4.874   1.997
   86    HA   TYR  13           HA       TYR  13  -0.003  -3.090   2.633
   87    HB2  TYR  13           HB2      TYR  13  -1.227  -3.958   4.538
   88    HB3  TYR  13           HB3      TYR  13  -1.077  -5.598   3.938
   89    HD1  TYR  13           HD1      TYR  13   1.336  -2.744   4.562
   90    HD2  TYR  13           HD2      TYR  13   0.355  -6.903   5.196
   91    HE1  TYR  13           HE1      TYR  13   3.442  -3.058   5.850
   92    HE2  TYR  13           HE2      TYR  13   2.443  -7.195   6.509
   93    HH   TYR  13           HH       TYR  13   4.313  -6.197   7.335
   94    H    TRP  14           H        TRP  14   1.911  -3.366   1.733
   95    HA   TRP  14           HA       TRP  14   2.677  -6.003   0.533
   96    HB2  TRP  14           HB2      TRP  14   3.498  -3.171  -0.154
   97    HB3  TRP  14           HB3      TRP  14   4.364  -4.599  -0.712
   98    HD1  TRP  14           HD1      TRP  14   1.315  -2.556  -1.515
   99    HE1  TRP  14           HE1      TRP  14   0.149  -3.557  -3.590
  100    HE3  TRP  14           HE3      TRP  14   3.974  -6.930  -1.993
  101    HZ2  TRP  14           HZ2      TRP  14   0.356  -5.862  -5.252
  102    HZ3  TRP  14           HZ3      TRP  14   3.466  -8.501  -3.852
  103    HH2  TRP  14           HH2      TRP  14   1.661  -7.987  -5.480
  104    H    PHE  15           H        PHE  15   3.954  -7.146   1.783
  105    HA   PHE  15           HA       PHE  15   5.738  -5.838   3.770
  106    HB2  PHE  15           HB2      PHE  15   4.202  -7.497   4.646
  107    HB3  PHE  15           HB3      PHE  15   4.745  -8.685   3.473
  108    HD1  PHE  15           HD1      PHE  15   6.115 -10.360   4.350
  109    HD2  PHE  15           HD2      PHE  15   6.386  -6.387   6.016
  110    HE1  PHE  15           HE1      PHE  15   7.848 -11.140   5.944
  111    HE2  PHE  15           HE2      PHE  15   8.112  -7.176   7.610
  112    HZ   PHE  15           HZ       PHE  15   8.850  -9.552   7.576
  113    H    GLY  16           H        GLY  16   7.923  -6.250   3.879
  114    HA2  GLY  16           HA2      GLY  16  10.034  -6.973   3.259
  115    HA3  GLY  16           HA3      GLY  16   9.299  -8.150   2.166
  116    H    THR  17           H        THR  17   8.474  -4.776   1.813
  117    HA   THR  17           HA       THR  17  10.482  -4.217  -0.247
  118    HB   THR  17           HB       THR  17   8.510  -5.195  -1.480
  119    HG1  THR  17           HG1      THR  17   8.281  -3.095  -2.712
  120   HG21  THR  17          HG21      THR  17   6.698  -4.318   0.008
  121   HG22  THR  17          HG22      THR  17   7.019  -2.707  -0.669
  122   HG23  THR  17          HG23      THR  17   6.476  -4.017  -1.726
  123    H    LYS  18           H        LYS  18  10.538  -1.994  -0.768
  124    HA   LYS  18           HA       LYS  18   9.455  -0.096   1.295
  125    HB2  LYS  18           HB2      LYS  18  11.939  -0.597   1.309
  126    HB3  LYS  18           HB3      LYS  18  12.053   0.217  -0.255
  127    HG2  LYS  18           HG2      LYS  18  11.356   2.333   0.732
  128    HG3  LYS  18           HG3      LYS  18  10.880   1.534   2.236
  129    HD2  LYS  18           HD2      LYS  18  12.968   2.715   2.557
  130    HD3  LYS  18           HD3      LYS  18  13.231   0.972   2.715
  131    HE2  LYS  18           HE2      LYS  18  14.116   0.898   0.390
  132    HE3  LYS  18           HE3      LYS  18  13.824   2.635   0.221
  133    HZ1  LYS  18           HZ1      LYS  18  16.136   2.172   0.817
  134    HZ2  LYS  18           HZ2      LYS  18  15.425   3.007   2.024
  135    HZ3  LYS  18           HZ3      LYS  18  15.690   1.401   2.182
  136    H    THR  19           H        THR  19   9.294  -0.958  -1.925
  137    HA   THR  19           HA       THR  19   7.942   1.592  -2.683
  138    HB   THR  19           HB       THR  19  10.187   1.350  -3.804
  139    HG1  THR  19           HG1      THR  19   9.326   2.007  -5.755
  140   HG21  THR  19          HG21      THR  19   8.805  -0.840  -5.437
  141   HG22  THR  19          HG22      THR  19  10.420  -0.153  -5.698
  142   HG23  THR  19          HG23      THR  19  10.101  -1.127  -4.255
  143    H    CYS  20           H        CYS  20   6.335   1.255  -4.476
  144    HA   CYS  20           HA       CYS  20   5.021  -1.388  -4.149
  145    HB2  CYS  20           HB2      CYS  20   3.882   1.285  -3.977
  146    HB3  CYS  20           HB3      CYS  20   2.942   0.102  -4.907
  147    HA   PRO  21           HA       PRO  21   5.740  -2.394  -8.237
  148    HB2  PRO  21           HB2      PRO  21   3.751  -4.224  -8.755
  149    HB3  PRO  21           HB3      PRO  21   5.125  -4.510  -7.635
  150    HG2  PRO  21           HG2      PRO  21   2.321  -3.585  -6.919
  151    HG3  PRO  21           HG3      PRO  21   3.248  -4.909  -6.148
  152    HD2  PRO  21           HD2      PRO  21   3.185  -2.481  -5.055
  153    HD3  PRO  21           HD3      PRO  21   4.709  -3.420  -5.083
  154    H    SER  22           H        SER  22   5.599  -1.217  -9.925
  155    HA   SER  22           HA       SER  22   3.758   0.860 -10.321
  156    HB2  SER  22           HB2      SER  22   4.888   0.923 -12.621
  157    HB3  SER  22           HB3      SER  22   5.938   1.085 -11.198
  158    HG   SER  22           HG       SER  22   6.779  -0.391 -12.752
  159    H    ASN  23           H        ASN  23   3.904  -2.315 -11.894
  160    HA   ASN  23           HA       ASN  23   1.805  -1.714 -13.795
  161    HB2  ASN  23           HB2      ASN  23   2.993  -4.406 -13.032
  162    HB3  ASN  23           HB3      ASN  23   2.120  -4.017 -14.517
  163   HD21  ASN  23          HD21      ASN  23   3.256  -1.821 -15.591
  164   HD22  ASN  23          HD22      ASN  23   4.980  -2.077 -15.801
  165    H    ARG  24           H        ARG  24   1.455  -2.185 -10.538
  166    HA   ARG  24           HA       ARG  24  -0.941  -3.900 -10.603
  167    HB2  ARG  24           HB2      ARG  24   1.046  -3.679  -8.818
  168    HB3  ARG  24           HB3      ARG  24   0.030  -2.386  -8.192
  169    HG2  ARG  24           HG2      ARG  24  -0.619  -4.261  -6.959
  170    HG3  ARG  24           HG3      ARG  24  -1.876  -4.200  -8.200
  171    HD2  ARG  24           HD2      ARG  24  -0.350  -5.861  -9.486
  172    HD3  ARG  24           HD3      ARG  24   0.568  -5.997  -7.979
  173    HE   ARG  24           HE       ARG  24  -2.251  -6.407  -7.473
  174   HH11  ARG  24          HH11      ARG  24   0.453  -8.198  -8.836
  175   HH12  ARG  24          HH12      ARG  24  -0.300  -9.725  -8.459
  176   HH21  ARG  24          HH21      ARG  24  -3.101  -8.225  -7.075
  177   HH22  ARG  24          HH22      ARG  24  -2.321  -9.765  -7.454
  178    H    GLY  25           H        GLY  25  -0.380  -0.578 -11.048
  179    HA2  GLY  25           HA2      GLY  25  -1.928   1.007 -11.695
  180    HA3  GLY  25           HA3      GLY  25  -3.241  -0.093 -11.279
  181    H    TYR  26           H        TYR  26  -0.817   0.767  -8.839
  182    HA   TYR  26           HA       TYR  26  -2.847   1.801  -7.088
  183    HB2  TYR  26           HB2      TYR  26   0.186   1.777  -6.897
  184    HB3  TYR  26           HB3      TYR  26  -0.867   2.359  -5.602
  185    HD1  TYR  26           HD1      TYR  26   1.136  -0.326  -6.233
  186    HD2  TYR  26           HD2      TYR  26  -3.038   0.507  -5.380
  187    HE1  TYR  26           HE1      TYR  26   0.773  -2.669  -5.518
  188    HE2  TYR  26           HE2      TYR  26  -3.352  -1.834  -4.644
  189    HH   TYR  26           HH       TYR  26  -2.427  -3.879  -4.479
  190    H    THR  27           H        THR  27  -3.349   3.801  -6.394
  191    HA   THR  27           HA       THR  27  -2.518   6.069  -8.146
  192    HB   THR  27           HB       THR  27  -4.942   5.372  -7.861
  193    HG1  THR  27           HG1      THR  27  -5.582   7.507  -7.953
  194   HG21  THR  27          HG21      THR  27  -4.754   6.961  -5.263
  195   HG22  THR  27          HG22      THR  27  -6.200   6.238  -5.998
  196   HG23  THR  27          HG23      THR  27  -4.930   5.197  -5.341
  197    H    GLY  28           H        GLY  28  -2.000   4.868  -4.961
  198    HA2  GLY  28           HA2      GLY  28  -0.047   6.887  -4.419
  199    HA3  GLY  28           HA3      GLY  28  -1.473   7.154  -3.419
  200    H    SER  29           H        SER  29   0.874   6.681  -2.206
  201    HA   SER  29           HA       SER  29   0.483   4.128  -0.825
  202    HB2  SER  29           HB2      SER  29   2.757   3.353  -1.157
  203    HB3  SER  29           HB3      SER  29   1.881   3.446  -2.692
  204    HG   SER  29           HG       SER  29   2.986   5.370  -3.164
  205    H    CYS  30           H        CYS  30   1.740   3.863   1.078
  206    HA   CYS  30           HA       CYS  30   3.170   6.162   2.234
  207    HB2  CYS  30           HB2      CYS  30   1.578   6.136   4.212
  208    HB3  CYS  30           HB3      CYS  30   0.866   6.785   2.730
  209    H    GLY  31           H        GLY  31   4.558   5.580   3.918
  210    HA2  GLY  31           HA2      GLY  31   5.282   2.827   4.178
  211    HA3  GLY  31           HA3      GLY  31   5.834   4.130   5.227
  212    H    TYR  32           H        TYR  32   4.677   1.250   5.614
  213    HA   TYR  32           HA       TYR  32   2.517   1.872   7.597
  214    HB2  TYR  32           HB2      TYR  32   2.032   0.494   5.475
  215    HB3  TYR  32           HB3      TYR  32   3.002  -0.772   6.201
  216    HD1  TYR  32           HD1      TYR  32   0.018   1.437   6.754
  217    HD2  TYR  32           HD2      TYR  32   1.943  -2.298   7.738
  218    HE1  TYR  32           HE1      TYR  32  -1.987   0.745   8.050
  219    HE2  TYR  32           HE2      TYR  32  -0.087  -3.011   8.984
  220    HH   TYR  32           HH       TYR  32  -2.961  -0.897   9.332
  221    H    PHE  33           H        PHE  33   2.519  -0.313   9.179
  222    HA   PHE  33           HA       PHE  33   5.022  -0.231  10.681
  223    HB2  PHE  33           HB2      PHE  33   2.724  -0.700  11.641
  224    HB3  PHE  33           HB3      PHE  33   2.807  -2.284  10.863
  225    HD1  PHE  33           HD1      PHE  33   4.754  -0.038  13.181
  226    HD2  PHE  33           HD2      PHE  33   3.730  -4.089  12.103
  227    HE1  PHE  33           HE1      PHE  33   6.019  -0.882  15.145
  228    HE2  PHE  33           HE2      PHE  33   4.993  -4.928  14.071
  229    HZ   PHE  33           HZ       PHE  33   6.143  -3.327  15.590
  230    H    LEU  34           H        LEU  34   6.791  -1.267  10.227
  231    HA   LEU  34           HA       LEU  34   8.380  -2.488   9.302
  232    HB2  LEU  34           HB2      LEU  34   6.362  -4.713   8.963
  233    HB3  LEU  34           HB3      LEU  34   8.112  -4.871   8.944
  234    HG   LEU  34           HG       LEU  34   6.474  -3.954  11.351
  235   HD11  LEU  34          HD11      LEU  34   6.023  -6.277  10.773
  236   HD12  LEU  34          HD12      LEU  34   7.768  -6.636  10.773
  237   HD13  LEU  34          HD13      LEU  34   6.944  -6.156  12.279
  238   HD21  LEU  34          HD21      LEU  34   8.758  -3.075  11.460
  239   HD22  LEU  34          HD22      LEU  34   8.539  -4.372  12.635
  240   HD23  LEU  34          HD23      LEU  34   9.418  -4.695  11.121
  241    H    GLY  35           H        GLY  35   5.565  -3.274   7.222
  242    HA2  GLY  35           HA2      GLY  35   7.209  -2.969   4.755
  243    HA3  GLY  35           HA3      GLY  35   5.593  -3.642   4.887
  244    H    ILE  36           H        ILE  36   4.795  -2.440   3.221
  245    HA   ILE  36           HA       ILE  36   4.282   0.468   3.700
  246    HB   ILE  36           HB       ILE  36   6.028   0.615   2.211
  247   HG12  ILE  36          HG12      ILE  36   3.623   0.513   0.357
  248   HG13  ILE  36          HG13      ILE  36   3.938   1.821   1.468
  249   HG21  ILE  36          HG21      ILE  36   6.261  -1.771   1.568
  250   HG22  ILE  36          HG22      ILE  36   4.870  -1.590   0.478
  251   HG23  ILE  36          HG23      ILE  36   6.374  -0.692   0.188
  252   HD11  ILE  36          HD11      ILE  36   4.695   2.573  -0.630
  253   HD12  ILE  36          HD12      ILE  36   6.167   2.174   0.266
  254   HD13  ILE  36          HD13      ILE  36   5.536   1.060  -0.987
  255    H    CYS  37           H        CYS  37   2.390   1.312   2.939
  256    HA   CYS  37           HA       CYS  37   0.188  -0.611   2.316
  257    HB2  CYS  37           HB2      CYS  37  -0.076   0.525   4.403
  258    HB3  CYS  37           HB3      CYS  37   0.413   2.064   3.730
  259    H    CYS  38           H        CYS  38  -0.729  -0.456   0.331
  260    HA   CYS  38           HA       CYS  38  -0.387   2.005  -1.312
  261    HB2  CYS  38           HB2      CYS  38   0.189  -0.829  -2.136
  262    HB3  CYS  38           HB3      CYS  38   0.105   0.542  -3.255
  263    H    TYR  39           H        TYR  39  -2.066   2.625  -2.532
  264    HA   TYR  39           HA       TYR  39  -4.572   1.034  -2.310
  265    HB2  TYR  39           HB2      TYR  39  -5.740   3.192  -1.695
  266    HB3  TYR  39           HB3      TYR  39  -4.738   2.434  -0.486
  267    HD1  TYR  39           HD1      TYR  39  -2.858   3.525   0.494
  268    HD2  TYR  39           HD2      TYR  39  -4.944   5.296  -2.845
  269    HE1  TYR  39           HE1      TYR  39  -1.673   5.677   0.897
  270    HE2  TYR  39           HE2      TYR  39  -3.776   7.459  -2.419
  271    HH   TYR  39           HH       TYR  39  -1.387   7.853   0.221
  272    HA   PRO  40           HA       PRO  40  -7.011   1.785  -2.794
  273    HB2  PRO  40           HB2      PRO  40  -8.670   0.596  -4.587
  274    HB3  PRO  40           HB3      PRO  40  -8.518   2.372  -4.435
  275    HG2  PRO  40           HG2      PRO  40  -7.085   0.547  -6.406
  276    HG3  PRO  40           HG3      PRO  40  -8.029   2.031  -6.767
  277    HD2  PRO  40           HD2      PRO  40  -5.331   2.117  -6.513
  278    HD3  PRO  40           HD3      PRO  40  -6.353   3.429  -5.858
  279    H    VAL  41           H        VAL  41  -7.936  -0.278  -2.127
  280    HA   VAL  41           HA       VAL  41  -6.075  -2.405  -1.886
  281    HB   VAL  41           HB       VAL  41  -7.865  -1.794  -0.277
  282   HG11  VAL  41          HG11      VAL  41  -9.794  -3.280  -2.096
  283   HG12  VAL  41          HG12      VAL  41 -10.131  -2.586  -0.500
  284   HG13  VAL  41          HG13      VAL  41  -9.768  -1.519  -1.863
  285   HG21  VAL  41          HG21      VAL  41  -6.744  -3.911   0.004
  286   HG22  VAL  41          HG22      VAL  41  -8.446  -4.068   0.430
  287   HG23  VAL  41          HG23      VAL  41  -7.875  -4.711  -1.122
  288    H    ASP  42           H        ASP  42  -5.870  -4.382  -2.856
  289    HA   ASP  42           HA       ASP  42  -7.247  -4.805  -5.475
  290    HB2  ASP  42           HB2      ASP  42  -4.988  -3.926  -5.738
  291    HB3  ASP  42           HB3      ASP  42  -4.338  -5.204  -4.718