*HEADER    METAL BINDING PROTEIN                   05-JUL-13   2RT9              
*TITLE     SOLUTION STRUCTURE OF A REGULATORY DOMAIN OF MEIOSIS INHIBITOR        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: F-BOX ONLY PROTEIN 43;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 565-616;                                      
*COMPND   5 SYNONYM: ENDOGENOUS MEIOTIC INHIBITOR 2;                             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: FBXO43;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: E. COLI CELL FREE PROTEIN SYNTHESIS;              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PCR2.1                                     
*KEYWDS    ZINC-FINGER DOMAIN, METAL BINDING PROTEIN                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.SHOJI, Y.MUTO, M.IKEDA, F.HE, K.TSUDA, N.OHSAWA, R.AKASAKA,         
*AUTHOR   2 T.TERADA, M.WAKIYAMA, M.SHIROUZU, S.YOKOYAMA                         
*REVDAT   1   16-JUL-14 2RT9    0                                                


#
#  chirality for residue 1 atoms:  CA CG2 OG1 HB
 &rst iat=5,9,13,8, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,15,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=19,24,22,23, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=17,27,20,21, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=31,36,34,35, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=33,39,37,38, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=29,42,32,33, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,52,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=56,61,59,60, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=58,63,67,62, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=54,71,57,58, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=75,80,78,79, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=77,83,81,82, &end
#
#  chirality for residue 6 atoms:  CD NZ HE2 HE3
 &rst iat=83,89,87,88, &end
#
#  chirality for residue 6 atoms:  CG CE HD2 HD3
 &rst iat=80,86,84,85, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=73,93,76,77, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=105,99,103,104, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=102,96,100,101, &end
#
#  chirality for residue 7 atoms:  CG N HD2 HD3
 &rst iat=99,95,97,98, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,107,106,102, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=129,123,127,128, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=126,120,124,125, &end
#
#  chirality for residue 9 atoms:  CG N HD2 HD3
 &rst iat=123,119,121,122, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=119,131,130,126, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=135,140,138,139, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=137,143,141,142, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=140,146,144,145, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=133,155,136,137, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=169,174,172,173, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=171,177,175,176, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=167,182,170,171, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=186,191,189,190, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=184,193,187,188, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=205,199,203,204, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=202,196,200,201, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=199,195,197,198, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=195,207,206,202, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=209,217,212,213, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=229,235,233,234, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=226,232,230,231, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=219,239,222,223, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=241,260,244,245, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=264,269,267,268, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=266,272,270,271, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=262,277,265,266, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=289,283,287,288, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=286,280,284,285, &end
#
#  chirality for residue 19 atoms:  CG N HD2 HD3
 &rst iat=283,279,281,282, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=279,291,290,286, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=293,308,296,297, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=312,317,315,316, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=314,320,318,319, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=317,323,321,322, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=310,330,313,314, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=334,339,337,338, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=336,342,340,341, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=342,348,346,347, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=339,345,343,344, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=332,352,335,336, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=356,361,359,360, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=358,364,362,363, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=354,376,357,358, &end
#
#  chirality for residue 24 atoms:  N C HA2 HA3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=387,392,390,391, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=389,394,398,393, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=385,402,388,389, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=414,423,417,418, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=427,432,430,431, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=429,435,433,434, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=432,438,436,437, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=425,447,428,429, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=451,456,454,455, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=453,458,462,457, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=449,466,452,453, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=468,476,471,472, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=497,502,500,501, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=495,513,498,499, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=517,522,520,521, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=515,525,518,519, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=529,534,532,533, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=527,545,530,531, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=559,563,567,562, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=557,571,560,561, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=575,580,578,579, &end
#
#  chirality for residue 38 atoms:  CB CD1 CD2 HG
 &rst iat=577,582,586,581, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=573,590,576,577, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=606,611,615,610, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=602,619,605,606, &end
#
#  chirality for residue 41 atoms:  CA SG HB2 HB3
 &rst iat=623,628,626,627, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=621,630,624,625, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=632,640,635,636, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=642,661,645,646, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=665,670,668,669, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=663,678,666,667, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=680,685,683,684, &end
#
#  chirality for residue 46 atoms:  CA OG HB2 HB3
 &rst iat=689,694,692,693, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=687,696,690,691, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=700,705,703,704, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=702,708,706,707, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=698,711,701,702, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=713,723,716,717, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=737,742,740,741, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=739,745,743,744, &end
#
#  chirality for residue 50 atoms:  CG NE HD2 HD3
 &rst iat=742,748,746,747, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=735,757,738,739, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=761,766,764,765, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=763,769,767,768, &end
#
#  chirality for residue 51 atoms:  CG NE HD2 HD3
 &rst iat=766,772,770,771, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=759,781,762,763, &end
#
#  chirality for residue 52 atoms:  N C HA2 HA3
 &rst iat=783,788,786,787, &end
#
#  trans-omega constraint for residue 2
 &rst iat=19,17,15,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=31,29,27,19, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,31, &end
#
#  trans-omega constraint for residue 5
 &rst iat=56,54,52,46, &end
#
#  trans-omega constraint for residue 6
 &rst iat=75,73,71,56, &end
#
#  trans-omega constraint for residue 7
 &rst iat=105,95,93,75, &end
#
#  trans-omega constraint for residue 8
 &rst iat=111,109,107,105, &end
#
#  trans-omega constraint for residue 9
 &rst iat=129,119,117,111, &end
#
#  trans-omega constraint for residue 10
 &rst iat=135,133,131,129, &end
#
#  trans-omega constraint for residue 11
 &rst iat=159,157,155,135, &end
#
#  trans-omega constraint for residue 12
 &rst iat=169,167,165,159, &end
#
#  trans-omega constraint for residue 13
 &rst iat=186,184,182,169, &end
#
#  trans-omega constraint for residue 14
 &rst iat=205,195,193,186, &end
#
#  trans-omega constraint for residue 15
 &rst iat=211,209,207,205, &end
#
#  trans-omega constraint for residue 16
 &rst iat=221,219,217,211, &end
#
#  trans-omega constraint for residue 17
 &rst iat=243,241,239,221, &end
#
#  trans-omega constraint for residue 18
 &rst iat=264,262,260,243, &end
#
#  trans-omega constraint for residue 19
 &rst iat=289,279,277,264, &end
#
#  trans-omega constraint for residue 20
 &rst iat=295,293,291,289, &end
#
#  trans-omega constraint for residue 21
 &rst iat=312,310,308,295, &end
#
#  trans-omega constraint for residue 22
 &rst iat=334,332,330,312, &end
#
#  trans-omega constraint for residue 23
 &rst iat=356,354,352,334, &end
#
#  trans-omega constraint for residue 24
 &rst iat=380,378,376,356, &end
#
#  trans-omega constraint for residue 25
 &rst iat=387,385,383,380, &end
#
#  trans-omega constraint for residue 26
 &rst iat=406,404,402,387, &end
#
#  trans-omega constraint for residue 27
 &rst iat=416,414,412,406, &end
#
#  trans-omega constraint for residue 28
 &rst iat=427,425,423,416, &end
#
#  trans-omega constraint for residue 29
 &rst iat=451,449,447,427, &end
#
#  trans-omega constraint for residue 30
 &rst iat=470,468,466,451, &end
#
#  trans-omega constraint for residue 31
 &rst iat=480,478,476,470, &end
#
#  trans-omega constraint for residue 32
 &rst iat=490,488,486,480, &end
#
#  trans-omega constraint for residue 33
 &rst iat=497,495,493,490, &end
#
#  trans-omega constraint for residue 34
 &rst iat=517,515,513,497, &end
#
#  trans-omega constraint for residue 35
 &rst iat=529,527,525,517, &end
#
#  trans-omega constraint for residue 36
 &rst iat=549,547,545,529, &end
#
#  trans-omega constraint for residue 37
 &rst iat=559,557,555,549, &end
#
#  trans-omega constraint for residue 38
 &rst iat=575,573,571,559, &end
#
#  trans-omega constraint for residue 39
 &rst iat=594,592,590,575, &end
#
#  trans-omega constraint for residue 40
 &rst iat=604,602,600,594, &end
#
#  trans-omega constraint for residue 41
 &rst iat=623,621,619,604, &end
#
#  trans-omega constraint for residue 42
 &rst iat=634,632,630,623, &end
#
#  trans-omega constraint for residue 43
 &rst iat=644,642,640,634, &end
#
#  trans-omega constraint for residue 44
 &rst iat=665,663,661,644, &end
#
#  trans-omega constraint for residue 45
 &rst iat=682,680,678,665, &end
#
#  trans-omega constraint for residue 46
 &rst iat=689,687,685,682, &end
#
#  trans-omega constraint for residue 47
 &rst iat=700,698,696,689, &end
#
#  trans-omega constraint for residue 48
 &rst iat=715,713,711,700, &end
#
#  trans-omega constraint for residue 49
 &rst iat=727,725,723,715, &end
#
#  trans-omega constraint for residue 50
 &rst iat=737,735,733,727, &end
#
#  trans-omega constraint for residue 51
 &rst iat=761,759,757,737, &end
#
#  trans-omega constraint for residue 52
 &rst iat=785,783,781,761, &end
#
# 1 THR HA 1 THR QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  10,  11,  12,
 &end
#
# 1 THR HB 2 ASP- HN 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=   8,  18, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 1 THR QHN 1 THR QG2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=   2,   3,   4,
 igr2=  10,  11,  12,
 &end
#
# 2 ASP- HA 3 GLU- HN 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  30, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 2 ASP- HB2 3 GLU- HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  30, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 2 ASP- HB3 3 GLU- HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  30, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 2 ASP- HN 2 ASP- QB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=  22,  23,
 &end
#
# 3 GLU- HA 3 GLU- QG 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=  37,  38,
 &end
#
# 3 GLU- HA 4 ALA HN 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  45, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 3 GLU- HA 4 ALA QB 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=  49,  50,  51,
 &end
#
# 3 GLU- HB2 4 ALA HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  45, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 3 GLU- HB3 4 ALA HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  45, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 3 GLU- HN 3 GLU- HB2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  34, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 3 GLU- HN 3 GLU- HB3 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  35, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 3 GLU- HN 3 GLU- QB 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  34,  35,
 &end
#
# 3 GLU- HN 3 GLU- QG 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=  37,  38,
 &end
#
# 3 GLU- QG 4 ALA HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  37,  38,
 &end
#
# 4 ALA HA 17 TYR QD 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 250, 259,
 &end
#
# 4 ALA HA 5 LEU HB2 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  59, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 4 ALA HA 5 LEU HG 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 4 ALA HA 5 LEU HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  55, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 4 ALA HN 4 ALA QB 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=  49,  50,  51,
 &end
#
# 4 ALA HN 5 LEU HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  55, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 4 ALA HN 5 LEU QD2 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=  68,  69,  70,
 &end
#
# 4 ALA QB 17 TYR HB2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  49,  50,  51,
 &end
#
# 4 ALA QB 17 TYR HB3 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  49,  50,  51,
 &end
#
# 4 ALA QB 17 TYR QD 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  49,  50,  51,
 igr2= 250, 259,
 &end
#
# 4 ALA QB 17 TYR QE 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  49,  50,  51,
 igr2= 252, 257,
 &end
#
# 4 ALA QB 5 LEU HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  49,  50,  51,
 &end
#
# 5 LEU HA 17 TYR HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 242, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 5 LEU HA 5 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  62, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 5 LEU HA 5 LEU QD1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  64,  65,  66,
 &end
#
# 5 LEU HA 5 LEU QD2 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=  68,  69,  70,
 &end
#
# 5 LEU HA 6 LYS+ HN 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  74, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 5 LEU HB2 14 PRO HA 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 206, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 5 LEU HB2 5 LEU QD1 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=  64,  65,  66,
 &end
#
# 5 LEU HB2 6 LYS+ HN 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  74, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 5 LEU HB3 14 PRO HB2 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  60, 203, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 5 LEU HB3 14 PRO HB3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  60, 204, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 5 LEU HB3 14 PRO QB 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 203, 204,
 &end
#
# 5 LEU HB3 5 LEU QD1 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=  64,  65,  66,
 &end
#
# 5 LEU HB3 5 LEU QD2 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=  68,  69,  70,
 &end
#
# 5 LEU HB3 6 LYS+ HA 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  76, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 5 LEU HB3 6 LYS+ HN 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  74, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 5 LEU HG 17 TYR QD 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 250, 259,
 &end
#
# 5 LEU HN 17 TYR QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 252, 257,
 &end
#
# 5 LEU HN 5 LEU HB2 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  59, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5 LEU HN 5 LEU HB3 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  60, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 5 LEU HN 5 LEU HG 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  62, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 5 LEU HN 5 LEU QD1 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=  64,  65,  66,
 &end
#
# 5 LEU HN 5 LEU QD2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=  68,  69,  70,
 &end
#
# 5 LEU HN 6 LYS+ HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  74, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 5 LEU QD1 14 PRO HA 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  64,  65,  66,
 &end
#
# 5 LEU QD1 14 PRO HB2 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  64,  65,  66,
 &end
#
# 5 LEU QD1 14 PRO HB3 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  64,  65,  66,
 &end
#
# 5 LEU QD1 14 PRO QB 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  64,  65,  66,
 igr2= 203, 204,
 &end
#
# 5 LEU QD1 17 TYR HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=  64,  65,  66,
 &end
#
# 5 LEU QD1 17 TYR QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  64,  65,  66,
 igr2= 250, 259,
 &end
#
# 5 LEU QD1 6 LYS+ HN 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  64,  65,  66,
 &end
#
# 5 LEU QD2 14 PRO HB2 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 14 PRO HB3 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 14 PRO QB 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=  68,  69,  70,
 igr2= 203, 204,
 &end
#
# 5 LEU QD2 15 ALA HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 16 LYS+ HA 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 16 LYS+ QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  68,  69,  70,
 igr2= 233, 234,
 &end
#
# 5 LEU QD2 17 TYR HB2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 17 TYR HB3 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 17 TYR HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=  68,  69,  70,
 &end
#
# 5 LEU QD2 17 TYR QD 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=  68,  69,  70,
 igr2= 250, 259,
 &end
#
# 5 LEU QD2 6 LYS+ HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  68,  69,  70,
 &end
#
# 6 LYS+ HA 6 LYS+ HD2 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  84, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 6 LYS+ HA 6 LYS+ HD3 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  85, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 6 LYS+ HA 6 LYS+ HG2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 6 LYS+ HA 6 LYS+ HG3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  82, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 6 LYS+ HA 6 LYS+ QD 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  84,  85,
 &end
#
# 6 LYS+ HA 7 PRO HD2 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  97, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 6 LYS+ HA 7 PRO HD3 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  98, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 6 LYS+ HA 7 PRO QG 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 100, 101,
 &end
#
# 6 LYS+ HB2 17 TYR QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 252, 257,
 &end
#
# 6 LYS+ HB2 35 PHE HZ 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 540, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 6 LYS+ HB2 35 PHE QE 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 538, 542,
 &end
#
# 6 LYS+ HB2 37 VAL QG1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ HB2 7 PRO HD2 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  97, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 6 LYS+ HB3 35 PHE QE 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 538, 542,
 &end
#
# 6 LYS+ HB3 40 LEU QD2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 616, 617, 618,
 &end
#
# 6 LYS+ HB3 7 PRO HD2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  97, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 6 LYS+ HB3 7 PRO HD3 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  98, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 6 LYS+ HE2 17 TYR QE 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 252, 257,
 &end
#
# 6 LYS+ HE2 37 VAL QG1 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ HE2 37 VAL QG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 568, 569, 570,
 &end
#
# 6 LYS+ HE3 17 TYR QE 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 252, 257,
 &end
#
# 6 LYS+ HE3 37 VAL QG1 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ HE3 37 VAL QG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 568, 569, 570,
 &end
#
# 6 LYS+ HG2 17 TYR QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 259,
 &end
#
# 6 LYS+ HG2 6 LYS+ QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=  87,  88,
 &end
#
# 6 LYS+ HG2 7 PRO HD2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  97, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 6 LYS+ HG2 7 PRO HD3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  98, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 6 LYS+ HG3 17 TYR HB2 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 246, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 6 LYS+ HG3 17 TYR HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 LYS+ HG3 17 TYR QD 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 250, 259,
 &end
#
# 6 LYS+ HG3 17 TYR QE 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 252, 257,
 &end
#
# 6 LYS+ HG3 37 VAL QG1 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ HG3 6 LYS+ QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=  87,  88,
 &end
#
# 6 LYS+ HN 15 ALA HN 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 210, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 6 LYS+ HN 15 ALA QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 214, 215, 216,
 &end
#
# 6 LYS+ HN 17 TYR QD 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 250, 259,
 &end
#
# 6 LYS+ HN 17 TYR QE 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 252, 257,
 &end
#
# 6 LYS+ HN 6 LYS+ HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  78, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 6 LYS+ HN 6 LYS+ HB3 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  79, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 6 LYS+ HN 6 LYS+ HG2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  81, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 6 LYS+ HN 6 LYS+ HG3 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  82, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 6 LYS+ HN 7 PRO HD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  97, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 6 LYS+ HN 7 PRO HD3 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  98, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 6 LYS+ QD 37 VAL HB 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  84,  85,
 &end
#
# 6 LYS+ QD 37 VAL QG1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  84,  85,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ QD 40 LEU QD2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=  84,  85,
 igr2= 616, 617, 618,
 &end
#
# 6 LYS+ QD 7 PRO HD2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=  84,  85,
 &end
#
# 6 LYS+ QE 17 TYR QE 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  87,  88,
 igr2= 252, 257,
 &end
#
# 6 LYS+ QE 37 VAL HB 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  87,  88,
 &end
#
# 6 LYS+ QE 37 VAL QG1 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=  87,  88,
 igr2= 564, 565, 566,
 &end
#
# 6 LYS+ QE 37 VAL QG2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  87,  88,
 igr2= 568, 569, 570,
 &end
#
# 6 LYS+ QE 40 LEU QD2 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=  87,  88,
 igr2= 616, 617, 618,
 &end
#
# 7 PRO HA 12 GLN HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 170, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 7 PRO HA 12 GLN HB3 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 173, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 7 PRO HA 15 ALA HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 210, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 7 PRO HA 15 ALA QB 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 214, 215, 216,
 &end
#
# 7 PRO HA 8 CYM  HB2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 7 PRO HA 8 CYM  HB3 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 114, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 7 PRO HA 8 CYM  HN 1.80 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 110, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7 PRO HB2 12 GLN HA 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 170, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 7 PRO HB2 12 GLN HB2 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 172, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 7 PRO HB2 12 GLN HB3 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 173, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 7 PRO HB2 12 GLN HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 168, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 7 PRO HB2 12 GLN QG 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 175, 176,
 &end
#
# 7 PRO HB2 8 CYM  HN 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 7 PRO HB3 12 GLN HA 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 170, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 7 PRO HB3 12 GLN HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 PRO HB3 8 CYM  HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 110, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 7 PRO QG 12 GLN HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 100, 101,
 &end
#
# 7 PRO QG 8 CYM  HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 100, 101,
 &end
#
# 8 CYM  HA 10 ARG+ HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 134, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 8 CYM  HA 15 ALA QB 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 214, 215, 216,
 &end
#
# 8 CYM  HA 26 CYM  HB2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 410, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 8 CYM  HA 33 PHE QD 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 504, 512,
 &end
#
# 8 CYM  HA 35 PHE HZ 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 540, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 8 CYM  HA 35 PHE QE 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 538, 542,
 &end
#
# 8 CYM  HA 9 PRO HD2 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 121, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 8 CYM  HA 9 PRO HD3 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 8 CYM  HA 9 PRO HG3 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 125, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 8 CYM  HB2 11 CYM  HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 158, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 8 CYM  HB2 12 GLN HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 168, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 8 CYM  HB2 13 SER HB2 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 189, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 8 CYM  HB2 13 SER HB3 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 190, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 8 CYM  HB2 13 SER HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 185, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 8 CYM  HB2 15 ALA QB 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 214, 215, 216,
 &end
#
# 8 CYM  HB2 26 CYM  HA 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 407, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 8 CYM  HB2 26 CYM  HB2 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 410, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 8 CYM  HB2 26 CYM  HB3 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 409, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 8 CYM  HB2 35 PHE QE 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 538, 542,
 &end
#
# 8 CYM  HB2 9 PRO HD3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 122, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 8 CYM  HB3 10 ARG+ HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 134, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 8 CYM  HB3 11 CYM  HN 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 158, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 8 CYM  HB3 12 GLN HA 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 170, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 8 CYM  HB3 12 GLN HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 CYM  HB3 12 GLN HN 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 168, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 8 CYM  HB3 12 GLN QG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 175, 176,
 &end
#
# 8 CYM  HB3 13 SER HN 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 185, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 8 CYM  HB3 13 SER QB 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 189, 190,
 &end
#
# 8 CYM  HB3 15 ALA QB 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 214, 215, 216,
 &end
#
# 8 CYM  HB3 33 PHE HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 CYM  HB3 35 PHE QE 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 538, 542,
 &end
#
# 8 CYM  HN 12 GLN HA 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 170, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 8 CYM  HN 12 GLN HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 168, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 8 CYM  HN 13 SER HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 185, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 8 CYM  HN 14 PRO HA 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 206, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 8 CYM  HN 15 ALA QB 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 214, 215, 216,
 &end
#
# 8 CYM  HN 35 PHE HZ 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 540, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 8 CYM  HN 8 CYM  HB2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 8 CYM  HN 8 CYM  HB3 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 8 CYM  HN 9 PRO HD3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 122, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 9 PRO HA 12 GLN HE21 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 180, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 9 PRO HA 12 GLN HE22 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 181, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 9 PRO HA 12 GLN QE2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 180, 181,
 &end
#
# 9 PRO HA 40 LEU QD2 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HB2 10 ARG+ HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 136, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 9 PRO HB2 33 PHE HZ 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 508, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 9 PRO HB2 33 PHE QD 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 504, 512,
 &end
#
# 9 PRO HB2 33 PHE QE 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 506, 510,
 &end
#
# 9 PRO HB2 40 LEU QD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HB3 33 PHE QE 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 506, 510,
 &end
#
# 9 PRO HB3 40 LEU HB3 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 608, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 9 PRO HB3 40 LEU QD2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HB3 41 CYS HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 PRO HD2 10 ARG+ HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 134, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 9 PRO HD2 15 ALA QB 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 214, 215, 216,
 &end
#
# 9 PRO HD2 26 CYM  HB2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 410, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 9 PRO HD2 33 PHE QD 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 504, 512,
 &end
#
# 9 PRO HD2 33 PHE QE 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 506, 510,
 &end
#
# 9 PRO HD2 35 PHE QD 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 536, 544,
 &end
#
# 9 PRO HD2 35 PHE QE 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 538, 542,
 &end
#
# 9 PRO HD2 40 LEU QD2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HD3 10 ARG+ HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 9 PRO HD3 15 ALA QB 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 214, 215, 216,
 &end
#
# 9 PRO HD3 33 PHE QD 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 504, 512,
 &end
#
# 9 PRO HD3 33 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 506, 510,
 &end
#
# 9 PRO HD3 35 PHE HZ 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 540, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 9 PRO HD3 35 PHE QD 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 536, 544,
 &end
#
# 9 PRO HD3 35 PHE QE 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 538, 542,
 &end
#
# 9 PRO HD3 40 LEU QD2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HG2 10 ARG+ HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 9 PRO HG2 33 PHE QD 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 504, 512,
 &end
#
# 9 PRO HG2 33 PHE QE 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 506, 510,
 &end
#
# 9 PRO HG2 35 PHE QD 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 536, 544,
 &end
#
# 9 PRO HG2 40 LEU QD2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 616, 617, 618,
 &end
#
# 9 PRO HG3 33 PHE QD 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 504, 512,
 &end
#
# 9 PRO HG3 33 PHE QE 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 506, 510,
 &end
#
# 9 PRO HG3 35 PHE HN 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 528, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 9 PRO HG3 35 PHE QD 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 536, 544,
 &end
#
# 9 PRO HG3 40 LEU HA 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 605, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 PRO HG3 40 LEU QD2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 616, 617, 618,
 &end
#
# 10 ARG+ HA 10 ARG+ HD2 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 144, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 10 ARG+ HA 10 ARG+ HD3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 145, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 10 ARG+ HA 10 ARG+ HG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10 ARG+ HA 10 ARG+ HG3 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 142, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 10 ARG+ HB2 10 ARG+ HD2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 10 ARG+ HB2 10 ARG+ HD3 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 10 ARG+ HB2 11 CYM  HB3 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 10 ARG+ HB2 11 CYM  HN 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 10 ARG+ HB2 12 GLN HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 168, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 10 ARG+ HB2 33 PHE HB2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 500, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 10 ARG+ HB2 33 PHE HB3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 501, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 10 ARG+ HB2 33 PHE QD 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HB2 33 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 506, 510,
 &end
#
# 10 ARG+ HB3 10 ARG+ HD2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 10 ARG+ HB3 10 ARG+ HD3 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 10 ARG+ HB3 11 CYM  HB3 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 162, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 10 ARG+ HB3 11 CYM  HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 158, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 10 ARG+ HB3 33 PHE QD 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HD2 33 PHE HB2 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 500, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 10 ARG+ HD2 33 PHE HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 501, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 10 ARG+ HD2 33 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HD2 33 PHE QE 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 506, 510,
 &end
#
# 10 ARG+ HD3 33 PHE HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 ARG+ HD3 33 PHE QD 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HG2 11 CYM  HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 158, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 10 ARG+ HG2 33 PHE QD 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HG3 11 CYM  HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 158, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 10 ARG+ HG3 33 PHE HB3 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 501, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 10 ARG+ HG3 33 PHE QD 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 504, 512,
 &end
#
# 10 ARG+ HG3 33 PHE QE 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 506, 510,
 &end
#
# 10 ARG+ HN 10 ARG+ HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 10 ARG+ HN 10 ARG+ HB3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 10 ARG+ HN 10 ARG+ HG2 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10 ARG+ HN 10 ARG+ HG3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 142, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 10 ARG+ HN 11 CYM  HN 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 158, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 10 ARG+ HN 12 GLN HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 168, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 10 ARG+ HN 12 GLN QG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 175, 176,
 &end
#
# 10 ARG+ HN 33 PHE QD 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 504, 512,
 &end
#
# 11 CYM  HA 11 CYM  HB2 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11 CYM  HA 12 GLN HA 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 11 CYM  HA 12 GLN HB2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 11 CYM  HA 12 GLN QG 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 175, 176,
 &end
#
# 11 CYM  HB2 12 GLN QG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 175, 176,
 &end
#
# 11 CYM  HB2 28 ARG+ QD 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 436, 437,
 &end
#
# 11 CYM  HB3 12 GLN HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 168, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 11 CYM  HB3 28 ARG+ QD 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 436, 437,
 &end
#
# 11 CYM  HN 11 CYM  HB3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 11 CYM  HN 12 GLN HA 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 11 CYM  HN 12 GLN HN 1.80 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 12 GLN HA 12 GLN QE2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 180, 181,
 &end
#
# 12 GLN HA 12 GLN QG 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 175, 176,
 &end
#
# 12 GLN HA 13 SER HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 12 GLN HN 12 GLN HA 1.80 2.67
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 170, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 12 GLN HN 12 GLN HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 12 GLN HN 12 GLN QE2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 180, 181,
 &end
#
# 12 GLN HN 12 GLN QG 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 175, 176,
 &end
#
# 12 GLN HN 13 SER HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 12 GLN QG 12 GLN QE2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 175, 176,
 igr2= 180, 181,
 &end
#
# 13 SER HA 14 PRO HD2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 13 SER HA 14 PRO HD3 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 198, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 13 SER HA 14 PRO HG2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 13 SER HA 14 PRO HG3 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13 SER HA 14 PRO QD 1.80 2.60
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 197, 198,
 &end
#
# 13 SER HB2 28 ARG+ HB2 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 13 SER HB2 28 ARG+ HB3 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 431, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 13 SER HB3 28 ARG+ HB2 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 13 SER HB3 28 ARG+ HB3 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 431, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 13 SER HN 13 SER HB2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 189, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 13 SER HN 13 SER HB3 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 13 SER HN 13 SER HG 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 13 SER HN 13 SER QB 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 189, 190,
 &end
#
# 13 SER HN 14 PRO QD 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 197, 198,
 &end
#
# 13 SER QB 14 PRO QD 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 189, 190,
 igr2= 197, 198,
 &end
#
# 13 SER QB 28 ARG+ HB3 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 189, 190,
 &end
#
# 13 SER QB 28 ARG+ HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 189, 190,
 &end
#
# 14 PRO HA 15 ALA HA 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 212, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 14 PRO HA 15 ALA HN 1.80 2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 14 PRO HA 15 ALA QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 214, 215, 216,
 &end
#
# 14 PRO HG2 15 ALA HN 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 210, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 14 PRO QB 15 ALA HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 203, 204,
 &end
#
# 14 PRO QD 15 ALA HN 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 197, 198,
 &end
#
# 15 ALA HA 16 LYS+ HB3 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 225, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 15 ALA HA 16 LYS+ HN 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 220, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 15 ALA HA 26 CYM  HA 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 407, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 15 ALA HA 27 SER HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 ALA HA 27 SER HB2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 419, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 15 ALA HA 27 SER HB3 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 420, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 15 ALA HA 27 SER HN 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 415, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 15 ALA HN 15 ALA QB 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 214, 215, 216,
 &end
#
# 15 ALA QB 16 LYS+ HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 17 TYR HA 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 17 TYR HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 17 TYR HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 24 GLY HA2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 24 GLY HA3 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 25 LEU HN 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 26 CYM  HA 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 26 CYM  HB2 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 26 CYM  HB3 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 26 CYM  HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 27 SER HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 27 SER QB 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 214, 215, 216,
 igr2= 419, 420,
 &end
#
# 15 ALA QB 35 PHE HZ 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 214, 215, 216,
 &end
#
# 15 ALA QB 35 PHE QD 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 214, 215, 216,
 igr2= 536, 544,
 &end
#
# 15 ALA QB 35 PHE QE 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 214, 215, 216,
 igr2= 538, 542,
 &end
#
# 16 LYS+ HA 16 LYS+ QD 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 230, 231,
 &end
#
# 16 LYS+ HA 16 LYS+ QG 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 227, 228,
 &end
#
# 16 LYS+ HA 17 TYR HB2 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 16 LYS+ HA 17 TYR HB3 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 247, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 16 LYS+ HA 17 TYR HN 1.80 2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 242, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 16 LYS+ HB2 17 TYR HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 16 LYS+ HB2 25 LEU HB2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 390, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 16 LYS+ HB3 18 GLN HG2 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 270, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 16 LYS+ HB3 18 GLN HG3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 271, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 16 LYS+ HB3 18 GLN QE2 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 275, 276,
 &end
#
# 16 LYS+ HB3 25 LEU QD1 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 395, 396, 397,
 &end
#
# 16 LYS+ HN 16 LYS+ HB2 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 16 LYS+ HN 16 LYS+ HG2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 16 LYS+ HN 16 LYS+ HG3 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 16 LYS+ HN 16 LYS+ QG 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 227, 228,
 &end
#
# 16 LYS+ HN 25 LEU HB2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 390, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 16 LYS+ HN 25 LEU HB3 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 391, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 16 LYS+ HN 26 CYM  HA 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 407, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 16 LYS+ QD 17 TYR HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 230, 231,
 &end
#
# 16 LYS+ QD 25 LEU QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 230, 231,
 igr2= 395, 396, 397,
 &end
#
# 16 LYS+ QE 25 LEU QD1 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 233, 234,
 igr2= 395, 396, 397,
 &end
#
# 16 LYS+ QG 17 TYR HN 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 227, 228,
 &end
#
# 16 LYS+ QG 18 GLN QE2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 227, 228,
 igr2= 275, 276,
 &end
#
# 17 TYR HA 17 TYR QD 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 250, 259,
 &end
#
# 17 TYR HA 18 GLN HN 1.80 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 263, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 17 TYR HA 24 GLY HA2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 381, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 17 TYR HA 24 GLY HA3 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 382, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 17 TYR HA 25 LEU HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 386, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 17 TYR HA 37 VAL QG1 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 564, 565, 566,
 &end
#
# 17 TYR HB2 19 PRO HD3 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 282, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 17 TYR HB2 37 VAL QG1 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 564, 565, 566,
 &end
#
# 17 TYR HB3 18 GLN HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 263, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 17 TYR HB3 19 PRO HD3 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 282, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 17 TYR HB3 19 PRO HG3 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 285, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 17 TYR HB3 37 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 564, 565, 566,
 &end
#
# 17 TYR HN 17 TYR HB2 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 17 TYR HN 17 TYR HB3 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 17 TYR HN 17 TYR QD 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 250, 259,
 &end
#
# 17 TYR QD 18 GLN HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 19 PRO HA 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 19 PRO HD2 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 19 PRO HD3 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 19 PRO HG3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 19 PRO QB 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 250, 259,
 igr2= 287, 288,
 &end
#
# 17 TYR QD 24 GLY HA2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 24 GLY HA3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 37 VAL HB 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 250, 259,
 &end
#
# 17 TYR QD 37 VAL QG1 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 250, 259,
 igr2= 564, 565, 566,
 &end
#
# 17 TYR QD 37 VAL QG2 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 250, 259,
 igr2= 568, 569, 570,
 &end
#
# 17 TYR QE 18 GLN HN 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HA 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HB2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HB3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HD3 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HG2 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 19 PRO HG3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 22 LYS+ HA 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 23 ARG+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 24 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 37 VAL HB 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 37 VAL HN 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 252, 257,
 &end
#
# 17 TYR QE 37 VAL QG1 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 252, 257,
 igr2= 564, 565, 566,
 &end
#
# 17 TYR QE 37 VAL QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 252, 257,
 igr2= 568, 569, 570,
 &end
#
# 18 GLN HA 18 GLN HG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 18 GLN HA 18 GLN HG3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 18 GLN HA 19 PRO HD2 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 281, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 18 GLN HA 19 PRO HD3 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 282, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 18 GLN HA 19 PRO HG2 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 284, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 18 GLN HA 19 PRO HG3 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 285, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 18 GLN HE21 25 LEU QD2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 399, 400, 401,
 &end
#
# 18 GLN HE22 25 LEU QD2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 399, 400, 401,
 &end
#
# 18 GLN HG2 18 GLN QE2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 275, 276,
 &end
#
# 18 GLN HG2 20 HIS  HE1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 18 GLN HG2 25 LEU QD1 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 395, 396, 397,
 &end
#
# 18 GLN HG3 25 LEU QD1 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 395, 396, 397,
 &end
#
# 18 GLN HG3 25 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 399, 400, 401,
 &end
#
# 18 GLN HG3 37 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 564, 565, 566,
 &end
#
# 18 GLN HN 18 GLN HG2 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 270, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 18 GLN HN 18 GLN HG3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 271, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 18 GLN HN 18 GLN QB 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 267, 268,
 &end
#
# 18 GLN HN 19 PRO HD3 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 282, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 18 GLN HN 23 ARG+ HB3 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 18 GLN HN 23 ARG+ HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 355, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 18 GLN HN 24 GLY HA2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 381, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 18 GLN HN 37 VAL QG1 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 564, 565, 566,
 &end
#
# 18 GLN QB 19 PRO HD2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 19 PRO HD3 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 20 HIS  HE1 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 21 LYS+ HB2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 21 LYS+ HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 21 LYS+ HG3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 22 LYS+ HA 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 23 ARG+ HA 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 23 ARG+ HB2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 23 ARG+ HB3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 23 ARG+ HD3 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 23 ARG+ HN 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 267, 268,
 &end
#
# 18 GLN QB 37 VAL QG1 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 267, 268,
 igr2= 564, 565, 566,
 &end
#
# 18 GLN QB 37 VAL QG2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 267, 268,
 igr2= 568, 569, 570,
 &end
#
# 18 GLN QE2 25 LEU QD1 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 275, 276,
 igr2= 395, 396, 397,
 &end
#
# 19 PRO HA 21 LYS+ HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 311, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 19 PRO HA 22 LYS+ HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 19 PRO HA 23 ARG+ HN 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 355, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 19 PRO HD2 20 HIS  HE1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HB2 21 LYS+ HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HB3 21 LYS+ HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HD2 21 LYS+ HD2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 20 HIS  HD2 21 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HD2 21 LYS+ HE3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HD2 21 LYS+ HG2 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 20 HIS  HD2 21 LYS+ HG3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 20 HIS  HE1 21 LYS+ HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  HE1 21 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 HIS  QB 21 LYS+ HG3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 298, 299,
 &end
#
# 21 LYS+ HA 21 LYS+ HD2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 21 LYS+ HA 21 LYS+ HD3 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 322, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 21 LYS+ HA 21 LYS+ HG2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 21 LYS+ HA 21 LYS+ HG3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 319, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 21 LYS+ HB2 23 ARG+ HB2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 359, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 21 LYS+ HB2 23 ARG+ HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 355, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 21 LYS+ HB3 21 LYS+ HD3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 322, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 21 LYS+ HB3 22 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LYS+ HB3 23 ARG+ HB2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 359, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 21 LYS+ HB3 23 ARG+ HB3 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 21 LYS+ HB3 23 ARG+ HD3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 21 LYS+ HB3 23 ARG+ HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 355, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 21 LYS+ HB3 43 TYR QE 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 653, 658,
 &end
#
# 21 LYS+ HD2 23 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LYS+ HD3 23 ARG+ HB2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 359, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 21 LYS+ HD3 23 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LYS+ HD3 43 TYR QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 653, 658,
 &end
#
# 21 LYS+ HG3 21 LYS+ HE2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 LYS+ HG3 21 LYS+ HE3 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 325, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 LYS+ HN 21 LYS+ HG2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 318, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 21 LYS+ HN 22 LYS+ HN 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 333, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 21 LYS+ HN 22 LYS+ QG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 340, 341,
 &end
#
# 22 LYS+ HA 22 LYS+ HD2 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 343, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 22 LYS+ HA 22 LYS+ HD3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 344, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 22 LYS+ HA 22 LYS+ QD 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 343, 344,
 &end
#
# 22 LYS+ HA 22 LYS+ QG 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 340, 341,
 &end
#
# 22 LYS+ HA 23 ARG+ HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 355, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 22 LYS+ HA 37 VAL HN 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 22 LYS+ HA 37 VAL QG1 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 564, 565, 566,
 &end
#
# 22 LYS+ HA 37 VAL QG2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ HB2 22 LYS+ HD2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 343, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 22 LYS+ HB2 22 LYS+ HD3 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 344, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 22 LYS+ HB2 23 ARG+ HN 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 22 LYS+ HB2 37 VAL QG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ HB2 38 LEU QD1 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ HB2 43 TYR QE 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 653, 658,
 &end
#
# 22 LYS+ HB3 22 LYS+ QE 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 346, 347,
 &end
#
# 22 LYS+ HB3 23 ARG+ HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 22 LYS+ HB3 37 VAL HN 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 558, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 22 LYS+ HB3 37 VAL QG1 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 564, 565, 566,
 &end
#
# 22 LYS+ HB3 37 VAL QG2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ HB3 38 LEU QD1 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ HB3 38 LEU QD2 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 587, 588, 589,
 &end
#
# 22 LYS+ HB3 43 TYR QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 651, 660,
 &end
#
# 22 LYS+ HB3 43 TYR QE 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 653, 658,
 &end
#
# 22 LYS+ HD2 37 VAL QG2 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ HD2 38 LEU QD1 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ HD2 38 LEU QD2 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 587, 588, 589,
 &end
#
# 22 LYS+ HD3 37 VAL QG2 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ HD3 38 LEU QD1 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ HD3 38 LEU QD2 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 587, 588, 589,
 &end
#
# 22 LYS+ HN 22 LYS+ QG 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 340, 341,
 &end
#
# 22 LYS+ HN 23 ARG+ HN 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 355, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 22 LYS+ QD 37 VAL QG2 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 343, 344,
 igr2= 568, 569, 570,
 &end
#
# 22 LYS+ QD 38 LEU QD1 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 343, 344,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ QD 38 LEU QD2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 343, 344,
 igr2= 587, 588, 589,
 &end
#
# 22 LYS+ QE 38 LEU HA 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 346, 347,
 &end
#
# 22 LYS+ QE 38 LEU QD1 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 346, 347,
 igr2= 583, 584, 585,
 &end
#
# 22 LYS+ QE 38 LEU QD2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 346, 347,
 igr2= 587, 588, 589,
 &end
#
# 22 LYS+ QG 22 LYS+ QE 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 340, 341,
 igr2= 346, 347,
 &end
#
# 22 LYS+ QG 23 ARG+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 340, 341,
 &end
#
# 22 LYS+ QG 37 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 340, 341,
 &end
#
# 22 LYS+ QG 37 VAL QG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 340, 341,
 igr2= 568, 569, 570,
 &end
#
# 23 ARG+ HA 23 ARG+ HD2 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 23 ARG+ HA 23 ARG+ HG3 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 363, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 23 ARG+ HA 24 GLY HA3 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 382, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 ARG+ HA 24 GLY HN 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 379, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 23 ARG+ HA 37 VAL HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 558, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 23 ARG+ HA 37 VAL QG1 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 564, 565, 566,
 &end
#
# 23 ARG+ HA 43 TYR HB2 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 647, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 23 ARG+ HA 43 TYR QD 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HA 43 TYR QE 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HB2 23 ARG+ HD2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 23 ARG+ HB2 23 ARG+ HD3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 23 ARG+ HB2 24 GLY HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 379, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 23 ARG+ HB2 25 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 399, 400, 401,
 &end
#
# 23 ARG+ HB2 37 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 564, 565, 566,
 &end
#
# 23 ARG+ HB2 43 TYR QD 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HB2 43 TYR QE 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HB3 23 ARG+ HD2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23 ARG+ HB3 23 ARG+ HD3 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 23 ARG+ HB3 43 TYR QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HB3 43 TYR QE 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HD2 43 TYR HH 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 656, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 23 ARG+ HD2 43 TYR QD 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HD2 43 TYR QE 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HD3 25 LEU QD1 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 395, 396, 397,
 &end
#
# 23 ARG+ HD3 25 LEU QD2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 399, 400, 401,
 &end
#
# 23 ARG+ HD3 43 TYR HH 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 656, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 23 ARG+ HD3 43 TYR QE 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HG2 24 GLY HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 379, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 23 ARG+ HG2 25 LEU QD2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 399, 400, 401,
 &end
#
# 23 ARG+ HG2 43 TYR HB2 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 647, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 23 ARG+ HG2 43 TYR HH 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 656, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 23 ARG+ HG2 43 TYR QD 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HG3 24 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ARG+ HG3 24 GLY HN 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23 ARG+ HG3 36 CYM  HA 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 550, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 23 ARG+ HG3 43 TYR HB2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 647, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 23 ARG+ HG3 43 TYR HB3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 648, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 23 ARG+ HG3 43 TYR HH 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 656, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 23 ARG+ HG3 43 TYR QD 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 651, 660,
 &end
#
# 23 ARG+ HG3 43 TYR QE 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 653, 658,
 &end
#
# 23 ARG+ HN 23 ARG+ HB2 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 23 ARG+ HN 23 ARG+ HB3 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 23 ARG+ HN 37 VAL QG1 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 564, 565, 566,
 &end
#
# 23 ARG+ HN 37 VAL QG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 568, 569, 570,
 &end
#
# 24 GLY HA2 25 LEU HN 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 24 GLY HA2 37 VAL QG1 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 564, 565, 566,
 &end
#
# 24 GLY HA3 25 LEU HA 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 24 GLY HA3 25 LEU HN 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 24 GLY HA3 25 LEU QD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 399, 400, 401,
 &end
#
# 24 GLY HA3 35 PHE HN 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 528, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 24 GLY HA3 35 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 GLY HA3 35 PHE QD 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 536, 544,
 &end
#
# 24 GLY HA3 35 PHE QE 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 538, 542,
 &end
#
# 24 GLY HA3 37 VAL QG1 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 564, 565, 566,
 &end
#
# 24 GLY HA3 37 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 568, 569, 570,
 &end
#
# 24 GLY HN 25 LEU HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 386, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 24 GLY HN 25 LEU QD2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 399, 400, 401,
 &end
#
# 24 GLY HN 35 PHE HN 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 528, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 24 GLY HN 35 PHE QD 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 536, 544,
 &end
#
# 24 GLY HN 37 VAL HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 558, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 24 GLY HN 37 VAL QG1 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 564, 565, 566,
 &end
#
# 24 GLY HN 43 TYR QD 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 651, 660,
 &end
#
# 24 GLY HN 43 TYR QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 653, 658,
 &end
#
# 25 LEU HA 25 LEU HG 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 25 LEU HA 25 LEU QD1 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 395, 396, 397,
 &end
#
# 25 LEU HA 25 LEU QD2 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 399, 400, 401,
 &end
#
# 25 LEU HA 26 CYM  HB2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 410, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 25 LEU HA 26 CYM  HB3 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 409, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 25 LEU HA 26 CYM  HN 1.80 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 405, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 25 LEU HA 34 ASP- HA 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 518, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 25 LEU HA 34 ASP- HB2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 520, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 25 LEU HA 35 PHE QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 536, 544,
 &end
#
# 25 LEU HA 35 PHE QE 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 538, 542,
 &end
#
# 25 LEU HB2 25 LEU QD1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 395, 396, 397,
 &end
#
# 25 LEU HB2 25 LEU QD2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 399, 400, 401,
 &end
#
# 25 LEU HB2 26 CYM  HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 405, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 25 LEU HB3 25 LEU QD1 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 395, 396, 397,
 &end
#
# 25 LEU HB3 25 LEU QD2 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 399, 400, 401,
 &end
#
# 25 LEU HB3 26 CYM  HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 405, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 25 LEU HB3 33 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HB3 34 ASP- HA 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 518, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 25 LEU HG 26 CYM  HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 405, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 25 LEU HG 34 ASP- HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HN 25 LEU HB2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 25 LEU HN 25 LEU HB3 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 25 LEU HN 25 LEU HG 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 393, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 25 LEU HN 25 LEU QD1 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 395, 396, 397,
 &end
#
# 25 LEU HN 25 LEU QD2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 399, 400, 401,
 &end
#
# 25 LEU HN 26 CYM  HN 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 405, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 25 LEU HN 35 PHE QE 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 538, 542,
 &end
#
# 25 LEU QD1 34 ASP- HB2 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 395, 396, 397,
 &end
#
# 25 LEU QD2 26 CYM  HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 33 PHE HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 33 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 399, 400, 401,
 igr2= 504, 512,
 &end
#
# 25 LEU QD2 34 ASP- HA 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 34 ASP- HB2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 34 ASP- HB3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 34 ASP- HN 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 399, 400, 401,
 &end
#
# 25 LEU QD2 35 PHE HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 399, 400, 401,
 &end
#
# 26 CYM  HA 27 SER HN 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 26 CYM  HA 28 ARG+ HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 426, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 26 CYM  HA 33 PHE HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 496, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 26 CYM  HA 35 PHE QE 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 538, 542,
 &end
#
# 26 CYM  HB2 27 SER HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 26 CYM  HB2 33 PHE HN 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 496, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 26 CYM  HB2 35 PHE QD 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 536, 544,
 &end
#
# 26 CYM  HB2 35 PHE QE 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 538, 542,
 &end
#
# 26 CYM  HB3 28 ARG+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 26 CYM  HB3 32 GLY HA2 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 26 CYM  HB3 32 GLY HA3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 492, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 26 CYM  HB3 32 GLY HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 489, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 26 CYM  HB3 33 PHE HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 496, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 26 CYM  HB3 35 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 538, 542,
 &end
#
# 26 CYM  HN 26 CYM  HB2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 410, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 26 CYM  HN 26 CYM  HB3 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 409, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 26 CYM  HN 27 SER HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 415, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 26 CYM  HN 32 GLY QA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 491, 492,
 &end
#
# 26 CYM  HN 33 PHE HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 CYM  HN 33 PHE HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 496, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 26 CYM  HN 34 ASP- HA 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 518, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 26 CYM  HN 35 PHE QD 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 536, 544,
 &end
#
# 26 CYM  HN 35 PHE QE 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 538, 542,
 &end
#
# 27 SER HN 27 SER HB2 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 27 SER HN 27 SER HB3 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 27 SER HN 27 SER QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 419, 420,
 &end
#
# 27 SER HN 28 ARG+ HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 27 SER QB 28 ARG+ HB2 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 419, 420,
 &end
#
# 27 SER QB 28 ARG+ HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 419, 420,
 &end
#
# 28 ARG+ HA 28 ARG+ HD2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 436, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 28 ARG+ HA 28 ARG+ HD3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 28 ARG+ HA 28 ARG+ HG2 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 28 ARG+ HA 28 ARG+ HG3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 434, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 28 ARG+ HA 29 LEU HN 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 450, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 28 ARG+ HB2 28 ARG+ QD 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 436, 437,
 &end
#
# 28 ARG+ HB2 31 CYM  HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 484, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 28 ARG+ HB2 31 CYM  HB3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 483, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 28 ARG+ HB3 28 ARG+ HD2 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 28 ARG+ HB3 28 ARG+ HD3 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 437, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 28 ARG+ HB3 28 ARG+ QD 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 436, 437,
 &end
#
# 28 ARG+ HB3 31 CYM  HB2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 484, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 28 ARG+ HB3 31 CYM  HB3 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 483, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 28 ARG+ HB3 31 CYM  HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 479, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 28 ARG+ HB3 32 GLY HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 28 ARG+ HB3 32 GLY QA 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 491, 492,
 &end
#
# 28 ARG+ HD2 30 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 473, 474, 475,
 &end
#
# 28 ARG+ HD2 31 CYM  HB2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 484, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 28 ARG+ HD3 30 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 473, 474, 475,
 &end
#
# 28 ARG+ HD3 31 CYM  HB2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 484, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 28 ARG+ HG2 30 ALA HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 469, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 28 ARG+ HG2 31 CYM  HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 479, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 28 ARG+ HG2 32 GLY HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 489, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 28 ARG+ HG3 29 LEU HN 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 450, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 28 ARG+ HG3 30 ALA HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 28 ARG+ HG3 31 CYM  HB3 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 483, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 28 ARG+ HG3 31 CYM  HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 479, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 28 ARG+ HG3 32 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ARG+ HN 28 ARG+ HB2 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 28 ARG+ HN 28 ARG+ HB3 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 28 ARG+ HN 28 ARG+ HG2 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 433, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 28 ARG+ HN 28 ARG+ HG3 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 28 ARG+ HN 28 ARG+ QD 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 436, 437,
 &end
#
# 28 ARG+ HN 31 CYM  HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ARG+ HN 31 CYM  HB3 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 483, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 28 ARG+ HN 31 CYM  HN 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 479, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 28 ARG+ HN 32 GLY HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 ARG+ QD 30 ALA QB 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 436, 437,
 igr2= 473, 474, 475,
 &end
#
# 28 ARG+ QD 31 CYM  HB2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 436, 437,
 &end
#
# 29 LEU HA 29 LEU HG 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 29 LEU HA 29 LEU QD1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 459, 460, 461,
 &end
#
# 29 LEU HA 29 LEU QD2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 463, 464, 465,
 &end
#
# 29 LEU HA 31 CYM  HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 479, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 29 LEU HB2 29 LEU QD1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 459, 460, 461,
 &end
#
# 29 LEU HB2 30 ALA HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 469, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 LEU HB3 29 LEU QD1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 459, 460, 461,
 &end
#
# 29 LEU HB3 30 ALA HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 469, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 LEU HN 29 LEU HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 29 LEU HN 29 LEU HB3 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 29 LEU HN 29 LEU HG 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 457, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 29 LEU HN 29 LEU QB 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 454, 455,
 &end
#
# 29 LEU HN 30 ALA HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 469, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 29 LEU QB 29 LEU QD1 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 454, 455,
 igr2= 459, 460, 461,
 &end
#
# 29 LEU QB 29 LEU QD2 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 454, 455,
 igr2= 463, 464, 465,
 &end
#
# 29 LEU QB 30 ALA HN 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 454, 455,
 &end
#
# 30 ALA HN 30 ALA QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 473, 474, 475,
 &end
#
# 30 ALA HN 31 CYM  HN 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 479, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 30 ALA QB 31 CYM  HA 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 473, 474, 475,
 &end
#
# 30 ALA QB 31 CYM  HB2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 473, 474, 475,
 &end
#
# 30 ALA QB 31 CYM  HB3 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 473, 474, 475,
 &end
#
# 30 ALA QB 31 CYM  HN 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 473, 474, 475,
 &end
#
# 30 ALA QB 32 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 473, 474, 475,
 &end
#
# 31 CYM  HB2 32 GLY HN 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 31 CYM  HB3 32 GLY HN 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 31 CYM  HB3 32 GLY QA 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 491, 492,
 &end
#
# 31 CYM  HN 31 CYM  HB2 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 31 CYM  HN 31 CYM  HB3 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 31 CYM  HN 32 GLY HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 489, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 31 CYM  HN 32 GLY QA 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 491, 492,
 &end
#
# 32 GLY HN 33 PHE HB2 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 500, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 33 PHE HA 33 PHE QD 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 504, 512,
 &end
#
# 33 PHE HA 34 ASP- HB2 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 520, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 33 PHE HA 34 ASP- HN 1.80 2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 516, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 33 PHE HB2 34 ASP- HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 516, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 33 PHE HB2 35 PHE QD 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 536, 544,
 &end
#
# 33 PHE HB3 34 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 516, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 33 PHE HB3 35 PHE QD 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 536, 544,
 &end
#
# 33 PHE HN 33 PHE HB2 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 33 PHE HN 33 PHE HB3 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 33 PHE HN 33 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 504, 512,
 &end
#
# 33 PHE HN 34 ASP- HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 516, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 33 PHE HZ 35 PHE HB2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 532, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 33 PHE HZ 41 CYS HA 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 624, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 33 PHE HZ 41 CYS HB3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 627, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 33 PHE HZ 42 ALA HA 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 635, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 33 PHE HZ 42 ALA HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 633, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 33 PHE HZ 42 ALA QB 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 637, 638, 639,
 &end
#
# 33 PHE QD 34 ASP- HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 504, 512,
 &end
#
# 33 PHE QD 35 PHE HB2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 504, 512,
 &end
#
# 33 PHE QD 35 PHE HB3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 504, 512,
 &end
#
# 33 PHE QD 35 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 504, 512,
 &end
#
# 33 PHE QD 35 PHE QD 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 504, 512,
 igr2= 536, 544,
 &end
#
# 33 PHE QD 42 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 504, 512,
 &end
#
# 33 PHE QE 34 ASP- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 35 PHE HB2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 35 PHE HB3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 35 PHE HN 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 41 CYS HA 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 42 ALA HA 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 42 ALA HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 506, 510,
 &end
#
# 33 PHE QE 42 ALA QB 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 506, 510,
 igr2= 637, 638, 639,
 &end
#
# 34 ASP- HA 35 PHE HN 1.80 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 528, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 34 ASP- HA 35 PHE QD 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 536, 544,
 &end
#
# 34 ASP- HB3 35 PHE HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 34 ASP- HN 34 ASP- HB2 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 520, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 34 ASP- HN 34 ASP- HB3 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 34 ASP- HN 35 PHE HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 528, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 34 ASP- HN 35 PHE QD 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 536, 544,
 &end
#
# 35 PHE HA 35 PHE QD 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 536, 544,
 &end
#
# 35 PHE HA 36 CYM  HB2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 553, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 35 PHE HA 36 CYM  HN 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 548, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 35 PHE HA 42 ALA HA 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 635, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 35 PHE HA 42 ALA QB 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 637, 638, 639,
 &end
#
# 35 PHE HA 43 TYR HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 645, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 35 PHE HA 43 TYR HB2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 647, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 35 PHE HA 43 TYR HB3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 648, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 35 PHE HA 43 TYR HN 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 643, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 35 PHE HB2 36 CYM  HN 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 548, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 35 PHE HB2 40 LEU HA 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 605, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 35 PHE HB2 40 LEU QD2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 616, 617, 618,
 &end
#
# 35 PHE HB2 41 CYS HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 622, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 35 PHE HB2 42 ALA HA 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 635, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 35 PHE HB3 36 CYM  HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 35 PHE HB3 40 LEU HA 1.80 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 605, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 35 PHE HB3 42 ALA HA 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 635, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 35 PHE HB3 43 TYR HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 643, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 35 PHE HN 35 PHE HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 35 PHE HN 35 PHE HB3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 35 PHE HN 35 PHE QD 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 536, 544,
 &end
#
# 35 PHE HN 35 PHE QE 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 538, 542,
 &end
#
# 35 PHE HN 36 CYM  HN 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 548, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 35 PHE HN 43 TYR HB2 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 647, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 35 PHE HN 43 TYR HN 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 643, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 35 PHE QD 36 CYM  HN 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 536, 544,
 &end
#
# 35 PHE QD 37 VAL HA 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 536, 544,
 &end
#
# 35 PHE QD 37 VAL QG1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 536, 544,
 igr2= 564, 565, 566,
 &end
#
# 35 PHE QD 40 LEU HA 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 536, 544,
 &end
#
# 35 PHE QD 40 LEU HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 536, 544,
 &end
#
# 35 PHE QD 40 LEU QD2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 536, 544,
 igr2= 616, 617, 618,
 &end
#
# 35 PHE QD 41 CYS HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 536, 544,
 &end
#
# 35 PHE QE 37 VAL HA 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 538, 542,
 &end
#
# 35 PHE QE 37 VAL QG1 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 538, 542,
 igr2= 564, 565, 566,
 &end
#
# 35 PHE QE 37 VAL QG2 1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 538, 542,
 igr2= 568, 569, 570,
 &end
#
# 35 PHE QE 40 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 538, 542,
 &end
#
# 35 PHE QE 40 LEU QD2 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 538, 542,
 igr2= 616, 617, 618,
 &end
#
# 36 CYM  HA 37 VAL HN 1.80 2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 558, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 36 CYM  HA 37 VAL QG1 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 564, 565, 566,
 &end
#
# 36 CYM  HA 37 VAL QG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 568, 569, 570,
 &end
#
# 36 CYM  HA 38 LEU HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 574, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 36 CYM  HA 43 TYR HA 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 645, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 36 CYM  HA 43 TYR HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 CYM  HA 43 TYR QD 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 651, 660,
 &end
#
# 36 CYM  HB2 37 VAL HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 36 CYM  HB2 38 LEU HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 574, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 36 CYM  HB2 41 CYS HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 622, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 CYM  HB2 44 HIS HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 CYM  HB2 44 HIS HD2 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 36 CYM  HB2 44 HIS HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 664, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 36 CYM  HB3 37 VAL HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 558, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 36 CYM  HB3 38 LEU HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 574, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 36 CYM  HB3 39 CYM  HN 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 593, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 36 CYM  HB3 40 LEU HN 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 603, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 36 CYM  HB3 41 CYS HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 622, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 36 CYM  HB3 43 TYR HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 645, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 36 CYM  HB3 43 TYR QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 651, 660,
 &end
#
# 36 CYM  HB3 44 HIS HD2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 677, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 36 CYM  HB3 44 HIS HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 664, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 CYM  HN 36 CYM  HB2 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 553, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 36 CYM  HN 36 CYM  HB3 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 552, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 36 CYM  HN 37 VAL HN 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 558, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 36 CYM  HN 41 CYS HN 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 622, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 36 CYM  HN 43 TYR HA 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 645, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 36 CYM  HN 43 TYR HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 643, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 36 CYM  HN 43 TYR QD 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 651, 660,
 &end
#
# 36 CYM  HN 44 HIS HD2 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 677, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 37 VAL HA 37 VAL HB 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 37 VAL HA 37 VAL QG1 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 564, 565, 566,
 &end
#
# 37 VAL HA 37 VAL QG2 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 568, 569, 570,
 &end
#
# 37 VAL HA 40 LEU HG 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 610, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 37 VAL HA 40 LEU HN 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 603, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 37 VAL HA 40 LEU QD2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 616, 617, 618,
 &end
#
# 37 VAL HB 38 LEU HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 574, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 37 VAL HN 37 VAL HB 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 37 VAL HN 37 VAL QG1 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 564, 565, 566,
 &end
#
# 37 VAL HN 37 VAL QG2 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 568, 569, 570,
 &end
#
# 37 VAL HN 38 LEU HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 VAL HN 38 LEU HG 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 581, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 37 VAL HN 38 LEU HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 574, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 37 VAL QG1 38 LEU HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 564, 565, 566,
 &end
#
# 37 VAL QG2 38 LEU HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 568, 569, 570,
 &end
#
# 37 VAL QG2 38 LEU HG 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 568, 569, 570,
 &end
#
# 37 VAL QG2 38 LEU HN 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 568, 569, 570,
 &end
#
# 38 LEU HA 38 LEU HG 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 38 LEU HA 38 LEU QD1 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 583, 584, 585,
 &end
#
# 38 LEU HA 38 LEU QD2 1.80 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2= 587, 588, 589,
 &end
#
# 38 LEU HB2 38 LEU QD1 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 583, 584, 585,
 &end
#
# 38 LEU HB2 38 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 587, 588, 589,
 &end
#
# 38 LEU HB2 39 CYM  HB3 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 597, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 38 LEU HB2 39 CYM  HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 38 LEU HB2 40 LEU HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 603, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 38 LEU HB3 38 LEU QD1 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 583, 584, 585,
 &end
#
# 38 LEU HB3 38 LEU QD2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 587, 588, 589,
 &end
#
# 38 LEU HB3 39 CYM  HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 595, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 38 LEU HB3 39 CYM  HN 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 593, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 38 LEU HG 39 CYM  HN 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 593, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 38 LEU HN 38 LEU HB2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 38 LEU HN 38 LEU HB3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 579, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 38 LEU HN 38 LEU HG 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 38 LEU HN 38 LEU QD1 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 583, 584, 585,
 &end
#
# 38 LEU HN 38 LEU QD2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 587, 588, 589,
 &end
#
# 38 LEU HN 39 CYM  HN 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 38 LEU HN 40 LEU HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 603, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 38 LEU HN 40 LEU QD2 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 616, 617, 618,
 &end
#
# 39 CYM  HA 39 CYM  HB2 1.80 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 598, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 39 CYM  HA 39 CYM  HB3 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 39 CYM  HA 40 LEU HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 CYM  HA 40 LEU HG 1.80 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 39 CYM  HA 40 LEU QD1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 612, 613, 614,
 &end
#
# 39 CYM  HA 49 CYM  HB3 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 730, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 39 CYM  HB2 40 LEU HN 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 603, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 39 CYM  HB2 49 CYM  HB3 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 730, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 39 CYM  HB3 40 LEU HN 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 603, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 39 CYM  HB3 49 CYM  HB2 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 731, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 39 CYM  HB3 49 CYM  HB3 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 730, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 39 CYM  HN 39 CYM  HB2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 39 CYM  HN 39 CYM  HB3 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 40 LEU HA 40 LEU HG 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 40 LEU HA 40 LEU QD2 1.80 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 616, 617, 618,
 &end
#
# 40 LEU HA 41 CYS HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 LEU HA 41 CYS HN 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 622, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 40 LEU HB2 40 LEU QD1 1.80 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 612, 613, 614,
 &end
#
# 40 LEU HB2 40 LEU QD2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 616, 617, 618,
 &end
#
# 40 LEU HB3 40 LEU QD1 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 612, 613, 614,
 &end
#
# 40 LEU HB3 40 LEU QD2 1.80 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 616, 617, 618,
 &end
#
# 40 LEU HB3 41 CYS HN 1.80 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 622, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 40 LEU HN 40 LEU HA 1.80 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 605, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 40 LEU HN 40 LEU HG 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 610, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 40 LEU HN 40 LEU QD2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 616, 617, 618,
 &end
#
# 40 LEU QD2 41 CYS HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 616, 617, 618,
 &end
#
# 41 CYS HA 42 ALA HA 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 635, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 41 CYS HA 42 ALA HN 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 633, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 41 CYS HA 42 ALA QB 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 637, 638, 639,
 &end
#
# 41 CYS HB2 42 ALA HN 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 41 CYS HB2 42 ALA QB 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 637, 638, 639,
 &end
#
# 41 CYS HB3 42 ALA HN 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 633, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 41 CYS HB3 42 ALA QB 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 637, 638, 639,
 &end
#
# 41 CYS HN 41 CYS HB2 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 41 CYS HN 41 CYS HB3 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 42 ALA HA 43 TYR HB2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 42 ALA HA 43 TYR HB3 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 648, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 42 ALA HA 43 TYR HN 1.80 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 42 ALA HN 42 ALA QB 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 637, 638, 639,
 &end
#
# 42 ALA QB 43 TYR HB3 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 637, 638, 639,
 &end
#
# 42 ALA QB 43 TYR HN 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 637, 638, 639,
 &end
#
# 43 TYR HA 43 TYR QD 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 651, 660,
 &end
#
# 43 TYR HA 43 TYR QE 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 653, 658,
 &end
#
# 43 TYR HA 44 HIS HA 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 43 TYR HA 44 HIS HD2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 677, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 43 TYR HA 44 HIS HN 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 664, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 43 TYR HA 45 GLY HN 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 681, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 43 TYR HB2 44 HIS HN 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 664, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 43 TYR HB3 44 HIS HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 43 TYR HN 43 TYR HB2 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 43 TYR HN 43 TYR HB3 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 43 TYR HN 43 TYR QD 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 651, 660,
 &end
#
# 43 TYR HN 44 HIS HN 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 664, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 43 TYR QD 43 TYR HH 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 651, 660,
 &end
#
# 43 TYR QD 44 HIS HA 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 651, 660,
 &end
#
# 43 TYR QD 44 HIS HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 651, 660,
 &end
#
# 43 TYR QD 45 GLY HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 651, 660,
 &end
#
# 43 TYR QD 45 GLY QA 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 651, 660,
 igr2= 683, 684,
 &end
#
# 43 TYR QE 44 HIS HN 1.80 5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 653, 658,
 &end
#
# 43 TYR QE 45 GLY HA2 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 653, 658,
 &end
#
# 43 TYR QE 45 GLY HA3 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 653, 658,
 &end
#
# 43 TYR QE 45 GLY HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 653, 658,
 &end
#
# 43 TYR QE 45 GLY QA 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 653, 658,
 igr2= 683, 684,
 &end
#
# 44 HIS HA 44 HIS HD2 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 677, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 44 HIS HA 47 GLU- QB 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 703, 704,
 &end
#
# 44 HIS HD1 47 GLU- HN 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 699, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 44 HIS HD1 47 GLU- QB 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 703, 704,
 &end
#
# 44 HIS HE1 47 GLU- QB 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 703, 704,
 &end
#
# 44 HIS HE1 49 CYM  HA 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 728, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 44 HIS HE1 49 CYM  HB2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 731, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 44 HIS HE1 49 CYM  HB3 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 730, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 44 HIS HN 44 HIS HD2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 677, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 44 HIS HN 45 GLY HN 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 681, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 44 HIS QB 47 GLU- QB 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 668, 669,
 igr2= 703, 704,
 &end
#
# 45 GLY HN 44 HIS HA 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 666, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 45 GLY HN 44 HIS HN 2.50 100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 664, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50,  &end
#
# 45 GLY QA 47 GLU- HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 683, 684,
 &end
#
# 46 SER HN 46 SER HA 3.00 100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 690, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50,  &end
#
# 46 SER HN 47 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 699, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 46 SER QB 47 GLU- HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 692, 693,
 &end
#
# 47 GLU- HA 47 GLU- QG 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 706, 707,
 &end
#
# 47 GLU- HA 48 ASP- HN 1.80 2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 714, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 47 GLU- HA 48 ASP- QB 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 718, 719,
 &end
#
# 47 GLU- HB2 48 ASP- HN 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 47 GLU- HB3 48 ASP- HN 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 47 GLU HN 44 HIS HD2 5.00 100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 677, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50,  &end
#
# 47 GLU- HN 47 GLU- HB2 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 47 GLU- HN 47 GLU- HB3 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 47 GLU- HN 47 GLU- QB 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 703, 704,
 &end
#
# 47 GLU- HN 47 GLU- QG 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 706, 707,
 &end
#
# 47 GLU- HN 48 ASP- HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 714, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 47 GLU- QB 48 ASP- HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 703, 704,
 &end
#
# 47 GLU- QG 48 ASP- HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 706, 707,
 &end
#
# 48 ASP- HA 49 CYM  HN 1.80 2.60
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 726, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 48 ASP- HN 48 ASP- HB2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 48 ASP- HN 48 ASP- HB3 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 48 ASP- HN 48 ASP- QB 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 718, 719,
 &end
#
# 48 ASP- HN 49 CYM  HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 48 ASP- QB 49 CYM  HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 718, 719,
 &end
#
# 49 CYM  HA 50 ARG+ HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 738, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 49 CYM  HA 50 ARG+ HN 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 736, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 49 CYM  HB2 50 ARG+ HN 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 736, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 49 CYM  HB2 50 ARG+ QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 743, 744,
 &end
#
# 49 CYM  HB3 50 ARG+ HN 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 736, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 49 CYM  HB3 50 ARG+ QG 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 743, 744,
 &end
#
# 49 CYM  HN 49 CYM  HB2 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 731, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 49 CYM  HN 49 CYM  HB3 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 730, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 49 CYM  HN 50 ARG+ HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 50 ARG HN 49 CYM  HA 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 50 ARG+ HA 50 ARG+ HG2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 743, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 50 ARG+ HA 50 ARG+ HG3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 744, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 50 ARG+ HA 50 ARG+ QD 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 746, 747,
 &end
#
# 50 ARG+ HA 50 ARG+ QG 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 743, 744,
 &end
#
# 50 ARG+ HA 51 ARG+ HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 760, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 50 ARG+ HB2 50 ARG+ QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 746, 747,
 &end
#
# 50 ARG+ HB3 50 ARG+ QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 746, 747,
 &end
#
# 50 ARG+ HN 50 ARG+ HB2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 50 ARG+ HN 50 ARG+ HB3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 50 ARG+ HN 50 ARG+ QB 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 740, 741,
 &end
#
# 50 ARG+ HN 50 ARG+ QD 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 746, 747,
 &end
#
# 50 ARG+ HN 50 ARG+ QG 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 743, 744,
 &end
#
# 50 ARG+ QB 50 ARG+ QG 1.80 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr1= 740, 741,
 igr2= 743, 744,
 &end
#
# 51 ARG+ HA 51 ARG+ QD 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 770, 771,
 &end
#
# 51 ARG+ HA 51 ARG+ QG 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 767, 768,
 &end
#
# 51 ARG+ HA 52 GLY HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 51 ARG+ HB2 51 ARG+ QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 770, 771,
 &end
#
# 51 ARG+ HB3 51 ARG+ QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 770, 771,
 &end
#
# 51 ARG+ HN 51 ARG+ QB 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 764, 765,
 &end
#
# 51 ARG+ HN 51 ARG+ QG 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 767, 768,
 &end
# 792 atoms read from pdb file leap.pdb.
# 5 LEU CHI1:  (5 LEU N)-(5 LEU CA)-(5 LEU CB)-(5 LEU CG) -80.0 -40.0
 &rst     iat =    54,    56,    58,    61,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 5 LEU CHI2:  (5 LEU CA)-(5 LEU CB)-(5 LEU CG)-(5 LEU CD1) 160.0 200.0
 &rst     iat =    56,    58,    61,    63,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 8 CYS CHI1:  (8 CYM N)-(8 CYM CA)-(8 CYM CB)-(8 CYM SG) 160.0 200.0
 &rst     iat =   109,   111,   113,   116,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 11 CYS CHI1:  (11 CYM N)-(11 CYM CA)-(11 CYM CB)-(11 CYM SG)  40.0  80.0
 &rst     iat =   157,   159,   161,   164,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 17 TYR CHI1:  (17 TYR N)-(17 TYR CA)-(17 TYR CB)-(17 TYR CG) 160.0 200.0
 &rst     iat =   241,   243,   245,   248,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 23 ARG CHI3:  (23 ARG CB)-(23 ARG CG)-(23 ARG CD)-(23 ARG NE) 160.0 200.0
 &rst     iat =   358,   361,   364,   367,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   385,   387,   389,   392,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 25 LEU CHI2:  (25 LEU CA)-(25 LEU CB)-(25 LEU CG)-(25 LEU CD1) 160.0 200.0
 &rst     iat =   387,   389,   392,   394,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 26 CYS CHI1:  (26 CYM N)-(26 CYM CA)-(26 CYM CB)-(26 CYM SG) 160.0 200.0
 &rst     iat =   404,   406,   408,   411,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) -80.0 -40.0
 &rst     iat =   449,   451,   453,   456,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 29 LEU CHI2:  (29 LEU CA)-(29 LEU CB)-(29 LEU CG)-(29 LEU CD1) 160.0 200.0
 &rst     iat =   451,   453,   456,   458,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 31 CYS CHI1:  (31 CYM N)-(31 CYM CA)-(31 CYM CB)-(31 CYM SG) 160.0 200.0
 &rst     iat =   478,   480,   482,   485,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 34 ASP CHI1:  (34 ASP N)-(34 ASP CA)-(34 ASP CB)-(34 ASP CG) 160.0 200.0
 &rst     iat =   515,   517,   519,   522,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 36 CYS CHI1:  (36 CYM N)-(36 CYM CA)-(36 CYM CB)-(36 CYM SG) 160.0 200.0
 &rst     iat =   547,   549,   551,   554,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 39 CYS CHI1:  (39 CYM N)-(39 CYM CA)-(39 CYM CB)-(39 CYM SG)  40.0  80.0
 &rst     iat =   592,   594,   596,   599,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 40 LEU CHI1:  (40 LEU N)-(40 LEU CA)-(40 LEU CB)-(40 LEU CG) -80.0 -40.0
 &rst     iat =   602,   604,   606,   609,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 40 LEU CHI2:  (40 LEU CA)-(40 LEU CB)-(40 LEU CG)-(40 LEU CD1) 160.0 200.0
 &rst     iat =   604,   606,   609,   611,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 41 CYS CHI1:  (41 CYS N)-(41 CYS CA)-(41 CYS CB)-(41 CYS SG) -80.0 -60.0
 &rst     iat =   621,   623,   625,   628,
   r1 = -81.0, r2 = -80.0, r3 = -60.0, r4 = -59.0,
 &end
# 45 GLY PHI:  (44 HID C)-(45 GLY N)-(45 GLY CA)-(45 GLY C)  30.0  90.0
 &rst     iat =   678,   680,   682,   685,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 46 SER PHI:  (45 GLY C)-(46 SER N)-(46 SER CA)-(46 SER C) -160.0 -40.0
 &rst     iat =   685,   687,   689,   696,
   r1 = -161.0, r2 = -160.0, r3 = -40.0, r4 = -39.0,
 &end
# 49 CYS CHI1:  (49 CYM N)-(49 CYM CA)-(49 CYM CB)-(49 CYM SG) -80.0 -60.0
 &rst     iat =   725,   727,   729,   732,
   r1 = -81.0, r2 = -80.0, r3 = -60.0, r4 = -59.0,
 &end
#
#   8 CYM  SG   11 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 164, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#   8 CYM  SG   26 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 411, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#   8 CYM  SG   31 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 485, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#   8 CYM  CB   53  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 791, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#   8 CYM  SG   53  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 791, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  11 CYM  SG   26 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 411, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  11 CYM  SG   31 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 485, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  11 CYM  CB   53  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 791, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  11 CYM  SG   53  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 791, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  26 CYM  SG   31 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 485, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  26 CYM  CB   53  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 791, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  26 CYM  SG   53  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 791, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  31 CYM  CB   53  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 791, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  31 CYM  SG   53  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 791, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  36 CYM  SG   39 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 599, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  36 CYM  SG   44 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 675, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  36 CYM  SG   49 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 732, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  36 CYM  CB   54  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 792, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  36 CYM  SG   54  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 792, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  39 CYM  SG   44 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 675, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  39 CYM  SG   49 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 732, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46,  &end
#
#  39 CYM  CB   54  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 792, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  39 CYM  SG   54  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 792, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  44 HID NE2   49 CYM  SG   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 732, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  44 HID NE2   54  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 792, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  49 CYM  CB   54  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 792, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  49 CYM  SG   54  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 792, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    THR 566           1H       THR 566   0.488 -18.563 -11.413
    2    HA   THR 566           HA       THR 566   0.980 -17.704  -8.641
    3    HB   THR 566           HB       THR 566   2.756 -17.151 -11.031
    4    HG1  THR 566           1HG      THR 566   4.089 -18.664 -10.046
    5   HG21  THR 566          1HG2      THR 566   4.380 -16.484  -9.282
    6   HG22  THR 566          2HG2      THR 566   3.152 -16.759  -8.024
    7   HG23  THR 566          3HG2      THR 566   2.942 -15.457  -9.219
    8    H    ASP 567           H        ASP 567   0.999 -16.204 -11.936
    9    HA   ASP 567           HA       ASP 567   0.197 -14.319 -12.755
   10    HB2  ASP 567           1HB      ASP 567  -1.967 -15.414 -12.117
   11    HB3  ASP 567           2HB      ASP 567  -2.000 -14.397 -10.676
   12    H    GLU 568           H        GLU 568  -0.275 -11.958 -12.422
   13    HA   GLU 568           HA       GLU 568   1.750 -10.862 -10.580
   14    HB2  GLU 568           1HB      GLU 568   1.530  -8.815 -11.796
   15    HB3  GLU 568           2HB      GLU 568   1.707 -10.158 -12.920
   16    HG2  GLU 568           1HG      GLU 568  -0.759 -10.114 -13.338
   17    HG3  GLU 568           2HG      GLU 568  -0.914  -8.755 -12.222
   18    H    ALA 569           H        ALA 569   1.297  -8.769  -9.424
   19    HA   ALA 569           HA       ALA 569  -1.414  -8.363  -8.414
   20    HB1  ALA 569           1HB      ALA 569   0.908  -9.113  -6.580
   21    HB2  ALA 569           2HB      ALA 569  -0.656  -8.477  -6.048
   22    HB3  ALA 569           3HB      ALA 569  -0.574 -10.069  -6.845
   23    H    LEU 570           H        LEU 570  -1.716  -6.303  -8.362
   24    HA   LEU 570           HA       LEU 570   0.162  -4.413  -7.147
   25    HB2  LEU 570           1HB      LEU 570  -1.027  -4.008  -9.925
   26    HB3  LEU 570           2HB      LEU 570  -0.332  -2.710  -8.958
   27    HG   LEU 570           HG       LEU 570   1.226  -5.150  -9.935
   28   HD11  LEU 570          1HD1      LEU 570   1.217  -2.289 -10.914
   29   HD12  LEU 570          2HD1      LEU 570   0.522  -3.698 -11.764
   30   HD13  LEU 570          3HD1      LEU 570   2.273  -3.612 -11.478
   31   HD21  LEU 570          3HD2      LEU 570   2.204  -4.144  -7.905
   32   HD22  LEU 570          1HD2      LEU 570   2.154  -2.537  -8.671
   33   HD23  LEU 570          2HD2      LEU 570   3.213  -3.817  -9.312
   34    H    LYS 571           H        LYS 571  -0.966  -3.226  -5.699
   35    HA   LYS 571           HA       LYS 571  -3.902  -3.513  -5.686
   36    HB2  LYS 571           1HB      LYS 571  -2.135  -2.377  -3.498
   37    HB3  LYS 571           2HB      LYS 571  -3.845  -2.736  -3.393
   38    HG2  LYS 571           1HG      LYS 571  -3.135  -5.185  -4.082
   39    HG3  LYS 571           2HG      LYS 571  -1.528  -4.672  -3.534
   40    HD2  LYS 571           1HD      LYS 571  -2.595  -4.004  -1.323
   41    HD3  LYS 571           2HD      LYS 571  -4.128  -4.658  -1.933
   42    HE2  LYS 571           1HE      LYS 571  -2.803  -6.848  -2.370
   43    HE3  LYS 571           2HE      LYS 571  -1.543  -6.159  -1.353
   44    HZ1  LYS 571           3HZ      LYS 571  -3.248  -5.968   0.443
   45    HZ2  LYS 571           1HZ      LYS 571  -3.041  -7.520  -0.038
   46    HZ3  LYS 571           2HZ      LYS 571  -4.353  -6.684  -0.525
   47    HA   PRO 572           HA       PRO 572  -4.682   0.738  -6.789
   48    HB2  PRO 572           1HB      PRO 572  -7.152   1.141  -5.693
   49    HB3  PRO 572           2HB      PRO 572  -6.875   0.156  -7.148
   50    HG2  PRO 572           1HG      PRO 572  -7.228  -0.757  -4.276
   51    HG3  PRO 572           2HG      PRO 572  -7.956  -1.456  -5.755
   52    HD2  PRO 572           1HD      PRO 572  -5.702  -2.481  -4.527
   53    HD3  PRO 572           2HD      PRO 572  -5.976  -2.602  -6.291
   54    H    CYS 573           H        CYS 573  -3.992   2.566  -5.927
   55    HA   CYS 573           HA       CYS 573  -3.207   3.090  -3.293
   56    HB2  CYS 573           1HB      CYS 573  -2.430   4.264  -5.256
   57    HB3  CYS 573           2HB      CYS 573  -4.058   4.781  -5.654
   58    HA   PRO 574           HA       PRO 574  -7.208   3.656  -1.355
   59    HB2  PRO 574           1HB      PRO 574  -6.413   4.560   1.112
   60    HB3  PRO 574           2HB      PRO 574  -6.148   2.882   0.547
   61    HG2  PRO 574           1HG      PRO 574  -4.235   5.215   0.415
   62    HG3  PRO 574           2HG      PRO 574  -3.909   3.564   1.069
   63    HD2  PRO 574           1HD      PRO 574  -3.176   4.244  -1.417
   64    HD3  PRO 574           2HD      PRO 574  -3.838   2.616  -1.058
   65    H    ARG 575           H        ARG 575  -5.151   6.247  -2.275
   66    HA   ARG 575           HA       ARG 575  -7.140   8.373  -1.566
   67    HB2  ARG 575           1HB      ARG 575  -4.322   8.374  -2.653
   68    HB3  ARG 575           2HB      ARG 575  -5.351   9.795  -2.791
   69    HG2  ARG 575           1HG      ARG 575  -5.672   9.766  -0.305
   70    HG3  ARG 575           2HG      ARG 575  -4.413   8.510  -0.203
   71    HD2  ARG 575           1HD      ARG 575  -2.792  10.004  -1.264
   72    HD3  ARG 575           2HD      ARG 575  -4.039  11.213  -1.584
   73    HE   ARG 575           HE       ARG 575  -4.079  10.855   1.179
   74   HH11  ARG 575          1HH1      ARG 575  -1.607  11.903  -1.106
   75   HH12  ARG 575          2HH1      ARG 575  -0.907  13.002   0.040
   76   HH21  ARG 575          1HH2      ARG 575  -3.111  12.288   2.578
   77   HH22  ARG 575          2HH2      ARG 575  -1.720  13.197   2.070
   78    H    CYS 576           H        CYS 576  -5.530   7.074  -4.492
   79    HA   CYS 576           HA       CYS 576  -7.621   8.425  -6.144
   80    HB2  CYS 576           1HB      CYS 576  -5.957   9.035  -7.720
   81    HB3  CYS 576           2HB      CYS 576  -5.461   9.598  -6.124
   82    H    GLN 577           H        GLN 577  -6.596   5.390  -5.346
   83    HA   GLN 577           HA       GLN 577  -6.898   3.345  -6.118
   84    HB2  GLN 577           1HB      GLN 577  -8.975   4.540  -7.966
   85    HB3  GLN 577           2HB      GLN 577  -8.825   2.836  -7.574
   86    HG2  GLN 577           1HG      GLN 577  -9.335   4.930  -5.416
   87    HG3  GLN 577           2HG      GLN 577 -10.618   4.193  -6.357
   88   HE21  GLN 577          1HE2      GLN 577  -7.975   3.375  -4.016
   89   HE22  GLN 577          2HE2      GLN 577  -8.789   1.906  -3.488
   90    H    SER 578           H        SER 578  -5.031   5.251  -7.690
   91    HA   SER 578           HA       SER 578  -4.561   3.995 -10.229
   92    HB2  SER 578           1HB      SER 578  -2.526   5.350  -8.414
   93    HB3  SER 578           2HB      SER 578  -2.413   5.117 -10.164
   94    HG   SER 578           HG       SER 578  -3.936   6.902  -8.645
   95    HA   PRO 579           HA       PRO 579  -2.464   0.240  -8.812
   96    HB2  PRO 579           1HB      PRO 579  -0.721  -0.282 -10.861
   97    HB3  PRO 579           2HB      PRO 579  -2.480  -0.558 -10.975
   98    HG2  PRO 579           1HG      PRO 579  -0.896   1.859 -11.897
   99    HG3  PRO 579           2HG      PRO 579  -2.121   0.936 -12.831
  100    HD2  PRO 579           1HD      PRO 579  -2.745   3.250 -11.557
  101    HD3  PRO 579           2HD      PRO 579  -3.899   1.880 -11.567
  102    H    ALA 580           H        ALA 580  -1.329   0.705  -7.088
  103    HA   ALA 580           HA       ALA 580   1.043   2.435  -7.059
  104    HB1  ALA 580           1HB      ALA 580  -0.563   2.527  -5.238
  105    HB2  ALA 580           2HB      ALA 580  -0.374   0.780  -4.938
  106    HB3  ALA 580           3HB      ALA 580   0.970   1.885  -4.619
  107    H    LYS 581           H        LYS 581   3.144   1.773  -6.486
  108    HA   LYS 581           HA       LYS 581   4.109  -0.758  -7.523
  109    HB2  LYS 581           1HB      LYS 581   5.412   1.421  -7.417
  110    HB3  LYS 581           2HB      LYS 581   5.558   1.176  -5.662
  111    HG2  LYS 581           1HG      LYS 581   6.729  -0.961  -6.031
  112    HG3  LYS 581           2HG      LYS 581   6.535  -0.780  -7.787
  113    HD2  LYS 581           1HD      LYS 581   7.892   1.291  -7.732
  114    HD3  LYS 581           2HD      LYS 581   8.079   1.132  -5.972
  115    HE2  LYS 581           1HE      LYS 581   9.217  -1.045  -6.279
  116    HE3  LYS 581           2HE      LYS 581   8.995  -0.930  -8.030
  117    HZ1  LYS 581           3HZ      LYS 581  10.611   0.958  -6.396
  118    HZ2  LYS 581           1HZ      LYS 581  10.403   1.060  -8.014
  119    HZ3  LYS 581           2HZ      LYS 581  11.215  -0.200  -7.373
  120    H    TYR 582           H        TYR 582   3.516  -2.571  -6.569
  121    HA   TYR 582           HA       TYR 582   2.828  -2.683  -3.755
  122    HB2  TYR 582           1HB      TYR 582   1.516  -3.797  -5.575
  123    HB3  TYR 582           2HB      TYR 582   2.909  -4.824  -5.887
  124    HD1  TYR 582           2HD      TYR 582   1.607  -3.923  -2.483
  125    HD2  TYR 582           1HD      TYR 582   1.881  -6.869  -5.610
  126    HE1  TYR 582           2HE      TYR 582   0.775  -5.653  -0.915
  127    HE2  TYR 582           1HE      TYR 582   1.000  -8.616  -4.033
  128    HH   TYR 582           HH       TYR 582   0.193  -9.037  -1.916
  129    H    GLN 583           H        GLN 583   3.961  -3.496  -2.098
  130    HA   GLN 583           HA       GLN 583   6.566  -4.877  -2.589
  131    HB2  GLN 583           1HB      GLN 583   6.019  -2.944  -0.339
  132    HB3  GLN 583           2HB      GLN 583   7.564  -3.562  -0.905
  133    HG2  GLN 583           1HG      GLN 583   7.116  -2.204  -3.082
  134    HG3  GLN 583           2HG      GLN 583   5.756  -1.485  -2.224
  135   HE21  GLN 583          1HE2      GLN 583   7.488   0.305  -3.099
  136   HE22  GLN 583          2HE2      GLN 583   8.508   0.888  -1.791
  137    HA   PRO 584           HA       PRO 584   3.584  -7.384   0.026
  138    HB2  PRO 584           1HB      PRO 584   4.230  -9.871  -1.021
  139    HB3  PRO 584           2HB      PRO 584   3.002  -8.772  -1.698
  140    HG2  PRO 584           1HG      PRO 584   5.883  -9.101  -2.566
  141    HG3  PRO 584           2HG      PRO 584   4.416  -9.032  -3.594
  142    HD2  PRO 584           1HD      PRO 584   5.974  -6.866  -3.237
  143    HD3  PRO 584           2HD      PRO 584   4.193  -6.704  -3.277
  144    H    HIS 585           H        HIS 585   7.033  -7.791  -0.627
  145    HA   HIS 585           HA       HIS 585   7.692  -9.418   1.677
  146    HB2  HIS 585           1HB      HIS 585   9.984  -8.859   1.062
  147    HB3  HIS 585           2HB      HIS 585   9.061  -9.360  -0.345
  148    HD2  HIS 585           2HD      HIS 585  11.752  -7.277   0.032
  149    HE1  HIS 585           1HE      HIS 585   9.241  -4.748  -2.309
  150    HE2  HIS 585           2HE      HIS 585  11.631  -5.170  -1.546
  151    H    LYS 586           H        LYS 586   6.965  -6.067   1.318
  152    HA   LYS 586           HA       LYS 586   7.920  -5.459   4.102
  153    HB2  LYS 586           1HB      LYS 586   7.683  -3.619   1.683
  154    HB3  LYS 586           2HB      LYS 586   8.087  -3.095   3.323
  155    HG2  LYS 586           1HG      LYS 586  10.099  -4.547   3.308
  156    HG3  LYS 586           2HG      LYS 586   9.740  -5.025   1.639
  157    HD2  LYS 586           1HD      LYS 586   9.941  -2.682   0.897
  158    HD3  LYS 586           2HD      LYS 586  10.273  -2.173   2.570
  159    HE2  LYS 586           1HE      LYS 586  12.277  -3.649   2.611
  160    HE3  LYS 586           2HE      LYS 586  11.951  -4.140   0.945
  161    HZ1  LYS 586           3HZ      LYS 586  12.266  -1.805   0.277
  162    HZ2  LYS 586           1HZ      LYS 586  13.602  -2.364   1.029
  163    HZ3  LYS 586           2HZ      LYS 586  12.583  -1.369   1.821
  164    H    LYS 587           H        LYS 587   5.195  -6.244   2.565
  165    HA   LYS 587           HA       LYS 587   2.997  -5.672   2.487
  166    HB2  LYS 587           1HB      LYS 587   3.692  -5.567   5.427
  167    HB3  LYS 587           2HB      LYS 587   2.036  -5.229   4.908
  168    HG2  LYS 587           1HG      LYS 587   1.809  -7.329   3.797
  169    HG3  LYS 587           2HG      LYS 587   3.518  -7.734   4.035
  170    HD2  LYS 587           1HD      LYS 587   3.254  -8.000   6.384
  171    HD3  LYS 587           2HD      LYS 587   1.645  -7.248   6.382
  172    HE2  LYS 587           1HE      LYS 587   0.664  -9.077   5.181
  173    HE3  LYS 587           2HE      LYS 587   2.245  -9.769   4.789
  174    HZ1  LYS 587           3HZ      LYS 587   1.181 -10.964   6.627
  175    HZ2  LYS 587           1HZ      LYS 587   1.143  -9.617   7.549
  176    HZ3  LYS 587           2HZ      LYS 587   2.573 -10.284   7.130
  177    H    ARG 588           H        ARG 588   4.407  -3.716   1.449
  178    HA   ARG 588           HA       ARG 588   3.100  -1.158   2.325
  179    HB2  ARG 588           1HB      ARG 588   5.528  -1.457   2.939
  180    HB3  ARG 588           2HB      ARG 588   5.921  -1.509   1.238
  181    HG2  ARG 588           1HG      ARG 588   5.142   0.779   0.945
  182    HG3  ARG 588           2HG      ARG 588   4.564   0.836   2.627
  183    HD2  ARG 588           1HD      ARG 588   6.849   0.522   3.447
  184    HD3  ARG 588           2HD      ARG 588   7.447   0.281   1.824
  185    HE   ARG 588           HE       ARG 588   6.067   2.852   2.486
  186   HH11  ARG 588          1HH1      ARG 588   9.135   1.323   1.708
  187   HH12  ARG 588          2HH1      ARG 588   9.984   2.847   1.669
  188   HH21  ARG 588          1HH2      ARG 588   7.208   4.697   2.556
  189   HH22  ARG 588          2HH2      ARG 588   8.902   4.739   2.092
  190    H    GLY 589           H        GLY 589   2.517   0.321   0.732
  191    HA2  GLY 589           1HA      GLY 589   2.930  -0.429  -2.123
  192    HA3  GLY 589           2HA      GLY 589   1.296  -0.113  -1.551
  193    H    LEU 590           H        LEU 590   3.482   1.268  -3.370
  194    HA   LEU 590           HA       LEU 590   3.228   4.039  -2.254
  195    HB2  LEU 590           1HB      LEU 590   5.469   2.839  -3.922
  196    HB3  LEU 590           2HB      LEU 590   5.297   4.548  -3.541
  197    HG   LEU 590           HG       LEU 590   5.838   2.300  -1.564
  198   HD11  LEU 590          1HD1      LEU 590   7.465   4.747  -2.374
  199   HD12  LEU 590          2HD1      LEU 590   7.757   3.091  -2.945
  200   HD13  LEU 590          3HD1      LEU 590   7.952   3.481  -1.226
  201   HD21  LEU 590          3HD2      LEU 590   6.097   4.279   0.060
  202   HD22  LEU 590          1HD2      LEU 590   4.470   3.764  -0.355
  203   HD23  LEU 590          2HD2      LEU 590   5.131   5.227  -1.115
  204    H    CYS 591           H        CYS 591   2.064   5.427  -3.371
  205    HA   CYS 591           HA       CYS 591   0.692   4.698  -5.721
  206    HB2  CYS 591           1HB      CYS 591   0.012   6.381  -3.992
  207    HB3  CYS 591           2HB      CYS 591   1.209   7.499  -4.715
  208    H    SER 592           H        SER 592   0.790   5.308  -7.827
  209    HA   SER 592           HA       SER 592   3.450   5.995  -8.955
  210    HB2  SER 592           1HB      SER 592   2.102   3.992  -9.718
  211    HB3  SER 592           2HB      SER 592   0.952   5.126 -10.446
  212    HG   SER 592           HG       SER 592   2.764   5.972 -11.664
  213    H    ARG 593           H        ARG 593   0.551   7.651  -8.150
  214    HA   ARG 593           HA       ARG 593   0.697   9.630 -10.343
  215    HB2  ARG 593           1HB      ARG 593  -1.436   8.744  -9.675
  216    HB3  ARG 593           2HB      ARG 593  -1.191   9.205  -7.998
  217    HG2  ARG 593           1HG      ARG 593  -1.200  11.605  -8.624
  218    HG3  ARG 593           2HG      ARG 593  -1.384  11.148 -10.309
  219    HD2  ARG 593           1HD      ARG 593  -3.364  10.802  -8.023
  220    HD3  ARG 593           2HD      ARG 593  -3.566  11.810  -9.446
  221    HE   ARG 593           HE       ARG 593  -3.949   8.901  -9.163
  222   HH11  ARG 593          1HH1      ARG 593  -3.912  11.526 -11.496
  223   HH12  ARG 593          2HH1      ARG 593  -4.579  10.524 -12.756
  224   HH21  ARG 593          1HH2      ARG 593  -4.596   7.668 -10.827
  225   HH22  ARG 593          2HH2      ARG 593  -5.023   8.384 -12.368
  226    H    LEU 594           H        LEU 594   2.007  11.314 -10.223
  227    HA   LEU 594           HA       LEU 594   3.614  11.859  -7.940
  228    HB2  LEU 594           1HB      LEU 594   3.126  13.559 -10.420
  229    HB3  LEU 594           2HB      LEU 594   4.444  13.783  -9.275
  230    HG   LEU 594           HG       LEU 594   4.043  11.338 -11.055
  231   HD11  LEU 594          1HD1      LEU 594   6.110  13.574 -11.139
  232   HD12  LEU 594          2HD1      LEU 594   4.747  13.372 -12.263
  233   HD13  LEU 594          3HD1      LEU 594   6.039  12.162 -12.217
  234   HD21  LEU 594          3HD2      LEU 594   6.336  10.707 -10.313
  235   HD22  LEU 594          1HD2      LEU 594   5.170  10.650  -8.991
  236   HD23  LEU 594          2HD2      LEU 594   6.298  12.022  -9.116
  237    H    ALA 595           H        ALA 595   0.599  13.406  -8.944
  238    HA   ALA 595           HA       ALA 595   0.762  15.580  -7.019
  239    HB1  ALA 595           1HB      ALA 595  -1.600  14.422  -8.563
  240    HB2  ALA 595           2HB      ALA 595  -1.561  15.982  -7.716
  241    HB3  ALA 595           3HB      ALA 595  -0.519  15.720  -9.126
  242    H    CYS 596           H        CYS 596  -0.064  12.247  -6.732
  243    HA   CYS 596           HA       CYS 596  -1.729  12.553  -4.295
  244    HB2  CYS 596           1HB      CYS 596  -2.532  11.211  -6.121
  245    HB3  CYS 596           2HB      CYS 596  -1.018  10.300  -6.183
  246    H    GLY 597           H        GLY 597   1.002  10.543  -5.374
  247    HA2  GLY 597           1HA      GLY 597   2.859   9.653  -4.322
  248    HA3  GLY 597           2HA      GLY 597   2.984  11.267  -3.623
  249    H    PHE 598           H        PHE 598   1.189   8.180  -3.071
  250    HA   PHE 598           HA       PHE 598   1.121   8.798  -0.169
  251    HB2  PHE 598           1HB      PHE 598  -1.032   8.765  -1.498
  252    HB3  PHE 598           2HB      PHE 598  -0.836   7.033  -1.693
  253    HD1  PHE 598           2HD      PHE 598  -0.806   9.721   0.965
  254    HD2  PHE 598           1HD      PHE 598  -1.772   5.643   0.008
  255    HE1  PHE 598           2HE      PHE 598  -1.856   9.453   3.204
  256    HE2  PHE 598           1HE      PHE 598  -2.820   5.381   2.270
  257    HZ   PHE 598           HZ       PHE 598  -2.895   7.255   3.832
  258    H    ASP 599           H        ASP 599   1.228   7.103   1.330
  259    HA   ASP 599           HA       ASP 599   2.788   4.699   0.515
  260    HB2  ASP 599           1HB      ASP 599   4.295   6.547   1.198
  261    HB3  ASP 599           2HB      ASP 599   3.433   6.697   2.728
  262    H    PHE 600           H        PHE 600   1.446   3.071   1.015
  263    HA   PHE 600           HA       PHE 600  -0.137   3.253   3.537
  264    HB2  PHE 600           1HB      PHE 600  -2.049   2.422   2.396
  265    HB3  PHE 600           2HB      PHE 600  -1.431   3.838   1.591
  266    HD1  PHE 600           1HD      PHE 600  -0.480   3.760  -0.663
  267    HD2  PHE 600           2HD      PHE 600  -2.009   0.223   1.266
  268    HE1  PHE 600           1HE      PHE 600  -0.672   2.647  -2.856
  269    HE2  PHE 600           2HE      PHE 600  -2.183  -0.906  -0.940
  270    HZ   PHE 600           HZ       PHE 600  -1.535   0.307  -3.008
  271    H    CYS 601           H        CYS 601  -0.955   1.471   4.473
  272    HA   CYS 601           HA       CYS 601   0.683  -0.961   4.500
  273    HB2  CYS 601           1HB      CYS 601  -0.122   0.066   6.580
  274    HB3  CYS 601           2HB      CYS 601  -1.786  -0.005   5.989
  275    H    VAL 602           H        VAL 602   0.244  -2.689   3.273
  276    HA   VAL 602           HA       VAL 602  -2.040  -2.631   1.454
  277    HB   VAL 602           HB       VAL 602  -1.072  -4.545   0.362
  278   HG11  VAL 602          1HG1      VAL 602   1.106  -3.565  -0.260
  279   HG12  VAL 602          2HG1      VAL 602  -0.183  -2.363  -0.192
  280   HG13  VAL 602          3HG1      VAL 602   1.002  -2.471   1.126
  281   HG21  VAL 602          3HG2      VAL 602   0.684  -4.745   2.810
  282   HG22  VAL 602          1HG2      VAL 602  -0.289  -5.993   2.034
  283   HG23  VAL 602          2HG2      VAL 602   1.186  -5.413   1.244
  284    H    LEU 603           H        LEU 603  -1.913  -3.726   4.577
  285    HA   LEU 603           HA       LEU 603  -3.836  -5.966   4.154
  286    HB2  LEU 603           1HB      LEU 603  -2.423  -4.931   6.614
  287    HB3  LEU 603           2HB      LEU 603  -3.622  -6.219   6.624
  288    HG   LEU 603           HG       LEU 603  -0.884  -6.299   5.292
  289   HD11  LEU 603          1HD1      LEU 603  -2.144  -7.810   7.627
  290   HD12  LEU 603          2HD1      LEU 603  -0.903  -6.545   7.742
  291   HD13  LEU 603          3HD1      LEU 603  -0.524  -8.097   6.976
  292   HD21  LEU 603          3HD2      LEU 603  -1.426  -8.710   4.841
  293   HD22  LEU 603          1HD2      LEU 603  -2.393  -7.597   3.878
  294   HD23  LEU 603          2HD2      LEU 603  -3.109  -8.388   5.304
  295    H    CYS 604           H        CYS 604  -3.719  -2.677   5.573
  296    HA   CYS 604           HA       CYS 604  -6.665  -2.805   6.000
  297    HB2  CYS 604           1HB      CYS 604  -6.420  -1.428   7.938
  298    HB3  CYS 604           2HB      CYS 604  -5.583  -2.970   8.114
  299    H    LEU 605           H        LEU 605  -4.443  -1.281   4.118
  300    HA   LEU 605           HA       LEU 605  -4.485   0.475   2.705
  301    HB2  LEU 605           1HB      LEU 605  -7.466  -0.032   2.931
  302    HB3  LEU 605           2HB      LEU 605  -6.783   1.082   1.765
  303    HG   LEU 605           HG       LEU 605  -6.091  -1.880   1.877
  304   HD11  LEU 605          1HD1      LEU 605  -7.887  -0.319  -0.029
  305   HD12  LEU 605          2HD1      LEU 605  -8.437  -1.462   1.217
  306   HD13  LEU 605          3HD1      LEU 605  -7.472  -2.044  -0.148
  307   HD21  LEU 605          3HD2      LEU 605  -5.400   0.331  -0.117
  308   HD22  LEU 605          1HD2      LEU 605  -5.180  -1.406  -0.429
  309   HD23  LEU 605          2HD2      LEU 605  -4.265  -0.628   0.859
  310    H    CYS 606           H        CYS 606  -4.183   1.168   5.406
  311    HA   CYS 606           HA       CYS 606  -5.025   4.050   5.345
  312    HB2  CYS 606           1HB      CYS 606  -4.181   2.292   7.692
  313    HB3  CYS 606           2HB      CYS 606  -4.532   4.023   7.788
  314    HG   CYS 606           HG       CYS 606  -6.559   1.608   6.744
  315    H    ALA 607           H        ALA 607  -3.259   5.440   6.469
  316    HA   ALA 607           HA       ALA 607  -0.885   5.428   4.925
  317    HB1  ALA 607           1HB      ALA 607  -1.753   7.416   6.095
  318    HB2  ALA 607           2HB      ALA 607  -1.399   6.658   7.667
  319    HB3  ALA 607           3HB      ALA 607  -0.075   7.084   6.561
  320    H    TYR 608           H        TYR 608   1.078   4.508   5.137
  321    HA   TYR 608           HA       TYR 608   1.259   2.003   6.268
  322    HB2  TYR 608           1HB      TYR 608   2.578   2.862   4.392
  323    HB3  TYR 608           2HB      TYR 608   3.501   3.891   5.477
  324    HD1  TYR 608           2HD      TYR 608   2.563   0.285   4.930
  325    HD2  TYR 608           1HD      TYR 608   5.564   3.078   6.286
  326    HE1  TYR 608           2HE      TYR 608   4.235  -1.547   4.999
  327    HE2  TYR 608           1HE      TYR 608   7.245   1.236   6.333
  328    HH   TYR 608           HH       TYR 608   6.474  -1.953   4.949
  329    H    HIS 609           H        HIS 609   1.829   1.089   8.116
  330    HA   HIS 609           HA       HIS 609   2.935   2.767  10.308
  331    HB2  HIS 609           1HB      HIS 609   1.479   1.581  11.859
  332    HB3  HIS 609           2HB      HIS 609   0.590   2.453  10.625
  333    HD1  HIS 609           1HD      HIS 609   1.643  -1.231  11.329
  334    HD2  HIS 609           2HD      HIS 609  -1.269   1.108   9.389
  335    HE1  HIS 609           1HE      HIS 609  -0.128  -2.845  10.558
  336    H    GLY 610           H        GLY 610   4.305   0.866   8.402
  337    HA2  GLY 610           1HA      GLY 610   6.169  -0.495   8.493
  338    HA3  GLY 610           2HA      GLY 610   6.459   0.336  10.014
  339    H    SER 611           H        SER 611   6.905  -1.003  11.601
  340    HA   SER 611           HA       SER 611   6.336  -3.880  11.475
  341    HB2  SER 611           1HB      SER 611   7.655  -2.250  13.678
  342    HB3  SER 611           2HB      SER 611   7.737  -4.006  13.462
  343    HG   SER 611           HG       SER 611   8.869  -3.674  11.516
  344    H    GLU 612           H        GLU 612   4.386  -1.356  12.657
  345    HA   GLU 612           HA       GLU 612   3.317  -2.747  15.008
  346    HB2  GLU 612           1HB      GLU 612   2.172  -0.441  13.386
  347    HB3  GLU 612           2HB      GLU 612   1.526  -1.085  14.894
  348    HG2  GLU 612           1HG      GLU 612   3.577  -0.453  16.094
  349    HG3  GLU 612           2HG      GLU 612   4.270   0.186  14.599
  350    H    ASP 613           H        ASP 613   1.171  -3.625  15.194
  351    HA   ASP 613           HA       ASP 613   0.186  -5.102  12.849
  352    HB2  ASP 613           1HB      ASP 613  -0.809  -4.906  15.716
  353    HB3  ASP 613           2HB      ASP 613  -1.521  -5.931  14.473
  354    H    CYS 614           H        CYS 614  -1.920  -4.924  11.962
  355    HA   CYS 614           HA       CYS 614  -2.999  -2.297  11.614
  356    HB2  CYS 614           1HB      CYS 614  -4.067  -5.061  10.909
  357    HB3  CYS 614           2HB      CYS 614  -4.692  -3.546  10.265
  358    H    ARG 615           H        ARG 615  -5.464  -2.026  11.729
  359    HA   ARG 615           HA       ARG 615  -6.405  -2.579  14.522
  360    HB2  ARG 615           1HB      ARG 615  -6.940  -0.032  12.959
  361    HB3  ARG 615           2HB      ARG 615  -7.226  -0.326  14.672
  362    HG2  ARG 615           1HG      ARG 615  -4.518  -0.092  13.294
  363    HG3  ARG 615           2HG      ARG 615  -5.278   1.146  14.277
  364    HD2  ARG 615           1HD      ARG 615  -4.748   0.123  16.278
  365    HD3  ARG 615           2HD      ARG 615  -4.881  -1.501  15.621
  366    HE   ARG 615           HE       ARG 615  -2.706  -1.433  14.750
  367   HH11  ARG 615          1HH1      ARG 615  -3.248   1.602  16.476
  368   HH12  ARG 615          2HH1      ARG 615  -1.540   1.972  16.411
  369   HH21  ARG 615          1HH2      ARG 615  -0.721  -0.872  14.679
  370   HH22  ARG 615          2HH2      ARG 615  -0.101   0.591  15.456
  371    H    ARG 616           H        ARG 616  -8.620  -2.630  14.923
  372    HA   ARG 616           HA       ARG 616 -10.242  -3.809  12.746
  373    HB2  ARG 616           1HB      ARG 616 -10.800  -3.474  15.722
  374    HB3  ARG 616           2HB      ARG 616 -11.867  -4.285  14.570
  375    HG2  ARG 616           1HG      ARG 616 -10.025  -5.896  14.025
  376    HG3  ARG 616           2HG      ARG 616  -9.037  -5.174  15.302
  377    HD2  ARG 616           1HD      ARG 616 -11.769  -6.466  15.696
  378    HD3  ARG 616           2HD      ARG 616 -10.213  -7.257  15.998
  379    HE   ARG 616           HE       ARG 616 -10.155  -4.909  17.522
  380   HH11  ARG 616          1HH1      ARG 616 -12.121  -7.809  17.512
  381   HH12  ARG 616          2HH1      ARG 616 -12.478  -7.683  19.214
  382   HH21  ARG 616          1HH2      ARG 616 -10.658  -4.803  19.685
  383   HH22  ARG 616          2HH2      ARG 616 -11.663  -6.026  20.405
  384    H    GLY 617           H        GLY 617 -12.417  -3.192  12.336
  385    HA2  GLY 617           1HA      GLY 617 -13.733  -0.824  13.137
  386    HA3  GLY 617           2HA      GLY 617 -12.797  -0.423  11.695
  Start of MODEL    2
    1    H    THR 566           1H       THR 566   0.050 -13.184 -16.614
    2    HA   THR 566           HA       THR 566  -2.221 -13.852 -16.753
    3    HB   THR 566           HB       THR 566  -1.350 -16.523 -15.621
    4    HG1  THR 566           1HG      THR 566  -1.871 -17.245 -17.684
    5   HG21  THR 566          1HG2      THR 566  -4.027 -15.516 -16.704
    6   HG22  THR 566          2HG2      THR 566  -3.673 -15.898 -15.002
    7   HG23  THR 566          3HG2      THR 566  -3.666 -17.187 -16.211
    8    H    ASP 567           H        ASP 567  -0.469 -15.351 -13.917
    9    HA   ASP 567           HA       ASP 567  -2.179 -13.885 -12.076
   10    HB2  ASP 567           1HB      ASP 567  -1.403 -16.172 -11.636
   11    HB3  ASP 567           2HB      ASP 567   0.273 -15.618 -11.620
   12    H    GLU 568           H        GLU 568  -1.806 -12.011 -11.028
   13    HA   GLU 568           HA       GLU 568   0.856 -10.849 -10.693
   14    HB2  GLU 568           1HB      GLU 568   0.268  -8.746 -11.759
   15    HB3  GLU 568           2HB      GLU 568   0.251 -10.059 -12.928
   16    HG2  GLU 568           1HG      GLU 568  -2.242 -10.126 -12.804
   17    HG3  GLU 568           2HG      GLU 568  -2.213  -8.803 -11.638
   18    H    ALA 569           H        ALA 569   0.767  -8.848  -9.336
   19    HA   ALA 569           HA       ALA 569  -1.723  -8.344  -7.857
   20    HB1  ALA 569           1HB      ALA 569  -0.602  -8.527  -5.671
   21    HB2  ALA 569           2HB      ALA 569  -0.664 -10.104  -6.498
   22    HB3  ALA 569           3HB      ALA 569   0.854  -9.169  -6.452
   23    H    LEU 570           H        LEU 570  -1.974  -6.280  -7.969
   24    HA   LEU 570           HA       LEU 570  -0.011  -4.396  -6.902
   25    HB2  LEU 570           1HB      LEU 570  -1.306  -4.040  -9.644
   26    HB3  LEU 570           2HB      LEU 570  -0.534  -2.739  -8.742
   27    HG   LEU 570           HG       LEU 570   0.917  -5.241  -9.725
   28   HD11  LEU 570          1HD1      LEU 570   1.921  -3.782 -11.362
   29   HD12  LEU 570          2HD1      LEU 570   0.924  -2.415 -10.795
   30   HD13  LEU 570          3HD1      LEU 570   0.157  -3.837 -11.561
   31   HD21  LEU 570          3HD2      LEU 570   2.959  -3.945  -9.229
   32   HD22  LEU 570          1HD2      LEU 570   2.003  -4.185  -7.767
   33   HD23  LEU 570          2HD2      LEU 570   1.962  -2.610  -8.598
   34    H    LYS 571           H        LYS 571  -1.091  -3.106  -5.476
   35    HA   LYS 571           HA       LYS 571  -4.040  -3.368  -5.407
   36    HB2  LYS 571           1HB      LYS 571  -2.281  -2.250  -3.213
   37    HB3  LYS 571           2HB      LYS 571  -3.978  -2.680  -3.122
   38    HG2  LYS 571           1HG      LYS 571  -3.191  -5.086  -3.825
   39    HG3  LYS 571           2HG      LYS 571  -1.586  -4.528  -3.319
   40    HD2  LYS 571           1HD      LYS 571  -2.602  -3.925  -1.067
   41    HD3  LYS 571           2HD      LYS 571  -4.131  -4.623  -1.638
   42    HE2  LYS 571           1HE      LYS 571  -2.742  -6.760  -2.154
   43    HE3  LYS 571           2HE      LYS 571  -1.476  -6.037  -1.168
   44    HZ1  LYS 571           3HZ      LYS 571  -2.871  -7.469   0.178
   45    HZ2  LYS 571           1HZ      LYS 571  -4.233  -6.687  -0.260
   46    HZ3  LYS 571           2HZ      LYS 571  -3.131  -5.930   0.679
   47    HA   PRO 572           HA       PRO 572  -4.672   0.893  -6.564
   48    HB2  PRO 572           1HB      PRO 572  -7.152   1.375  -5.526
   49    HB3  PRO 572           2HB      PRO 572  -6.876   0.372  -6.967
   50    HG2  PRO 572           1HG      PRO 572  -7.313  -0.508  -4.095
   51    HG3  PRO 572           2HG      PRO 572  -8.034  -1.198  -5.581
   52    HD2  PRO 572           1HD      PRO 572  -5.832  -2.280  -4.302
   53    HD3  PRO 572           2HD      PRO 572  -6.081  -2.405  -6.072
   54    H    CYS 573           H        CYS 573  -3.997   2.736  -5.693
   55    HA   CYS 573           HA       CYS 573  -3.222   3.204  -3.065
   56    HB2  CYS 573           1HB      CYS 573  -2.374   4.422  -4.902
   57    HB3  CYS 573           2HB      CYS 573  -3.969   4.915  -5.425
   58    HA   PRO 574           HA       PRO 574  -7.152   3.726  -0.966
   59    HB2  PRO 574           1HB      PRO 574  -6.196   4.840   1.414
   60    HB3  PRO 574           2HB      PRO 574  -6.034   3.111   0.949
   61    HG2  PRO 574           1HG      PRO 574  -4.095   5.382   0.547
   62    HG3  PRO 574           2HG      PRO 574  -3.756   3.772   1.295
   63    HD2  PRO 574           1HD      PRO 574  -3.129   4.277  -1.240
   64    HD3  PRO 574           2HD      PRO 574  -3.849   2.694  -0.789
   65    H    ARG 575           H        ARG 575  -5.225   6.347  -2.063
   66    HA   ARG 575           HA       ARG 575  -7.245   8.418  -1.263
   67    HB2  ARG 575           1HB      ARG 575  -4.405   8.615  -2.317
   68    HB3  ARG 575           2HB      ARG 575  -5.465  10.005  -2.033
   69    HG2  ARG 575           1HG      ARG 575  -5.714   9.282   0.363
   70    HG3  ARG 575           2HG      ARG 575  -4.477   8.043   0.084
   71    HD2  ARG 575           1HD      ARG 575  -2.835   9.753  -0.498
   72    HD3  ARG 575           2HD      ARG 575  -4.045  11.027  -0.391
   73    HE   ARG 575           HE       ARG 575  -2.774   9.549   1.839
   74   HH11  ARG 575          1HH1      ARG 575  -5.218  11.929   1.007
   75   HH12  ARG 575          2HH1      ARG 575  -5.355  12.493   2.650
   76   HH21  ARG 575          1HH2      ARG 575  -3.014  10.321   3.911
   77   HH22  ARG 575          2HH2      ARG 575  -4.134  11.608   4.240
   78    H    CYS 576           H        CYS 576  -5.537   7.216  -4.153
   79    HA   CYS 576           HA       CYS 576  -7.575   8.591  -5.851
   80    HB2  CYS 576           1HB      CYS 576  -5.908   9.512  -7.193
   81    HB3  CYS 576           2HB      CYS 576  -5.391   9.814  -5.539
   82    H    GLN 577           H        GLN 577  -6.513   5.589  -5.112
   83    HA   GLN 577           HA       GLN 577  -6.773   3.561  -5.973
   84    HB2  GLN 577           1HB      GLN 577  -8.714   4.863  -7.890
   85    HB3  GLN 577           2HB      GLN 577  -8.630   3.146  -7.536
   86    HG2  GLN 577           1HG      GLN 577  -9.214   5.203  -5.358
   87    HG3  GLN 577           2HG      GLN 577 -10.455   4.513  -6.386
   88   HE21  GLN 577          1HE2      GLN 577  -7.999   3.616  -3.881
   89   HE22  GLN 577          2HE2      GLN 577  -8.868   2.150  -3.444
   90    H    SER 578           H        SER 578  -4.783   5.501  -7.494
   91    HA   SER 578           HA       SER 578  -4.212   4.255  -9.983
   92    HB2  SER 578           1HB      SER 578  -3.224   6.387  -8.965
   93    HB3  SER 578           2HB      SER 578  -2.200   5.332  -7.973
   94    HG   SER 578           HG       SER 578  -2.284   5.650 -10.782
   95    HA   PRO 579           HA       PRO 579  -2.601   0.264  -8.473
   96    HB2  PRO 579           1HB      PRO 579  -0.997  -0.493 -10.561
   97    HB3  PRO 579           2HB      PRO 579  -2.777  -0.568 -10.620
   98    HG2  PRO 579           1HG      PRO 579  -0.957   1.637 -11.636
   99    HG3  PRO 579           2HG      PRO 579  -2.303   0.841 -12.519
  100    HD2  PRO 579           1HD      PRO 579  -2.625   3.236 -11.276
  101    HD3  PRO 579           2HD      PRO 579  -3.927   2.011 -11.231
  102    H    ALA 580           H        ALA 580  -1.385   0.748  -6.768
  103    HA   ALA 580           HA       ALA 580   1.033   2.335  -6.830
  104    HB1  ALA 580           1HB      ALA 580  -0.523   2.338  -4.941
  105    HB2  ALA 580           2HB      ALA 580  -0.241   0.596  -4.684
  106    HB3  ALA 580           3HB      ALA 580   1.065   1.756  -4.405
  107    H    LYS 581           H        LYS 581   3.155   1.683  -6.418
  108    HA   LYS 581           HA       LYS 581   4.106  -0.848  -7.459
  109    HB2  LYS 581           1HB      LYS 581   5.388   1.337  -7.413
  110    HB3  LYS 581           2HB      LYS 581   5.586   1.122  -5.661
  111    HG2  LYS 581           1HG      LYS 581   6.726  -1.047  -6.050
  112    HG3  LYS 581           2HG      LYS 581   6.545  -0.839  -7.796
  113    HD2  LYS 581           1HD      LYS 581   8.113   1.025  -5.952
  114    HD3  LYS 581           2HD      LYS 581   8.813  -0.265  -6.940
  115    HE2  LYS 581           1HE      LYS 581   7.929   0.843  -8.998
  116    HE3  LYS 581           2HE      LYS 581   7.303   2.166  -8.003
  117    HZ1  LYS 581           3HZ      LYS 581   9.595   2.639  -7.311
  118    HZ2  LYS 581           1HZ      LYS 581   9.474   2.714  -8.935
  119    HZ3  LYS 581           2HZ      LYS 581  10.171   1.418  -8.233
  120    H    TYR 582           H        TYR 582   3.533  -2.644  -6.479
  121    HA   TYR 582           HA       TYR 582   2.899  -2.727  -3.653
  122    HB2  TYR 582           1HB      TYR 582   1.533  -3.831  -5.441
  123    HB3  TYR 582           2HB      TYR 582   2.902  -4.878  -5.781
  124    HD1  TYR 582           2HD      TYR 582   1.653  -3.917  -2.371
  125    HD2  TYR 582           1HD      TYR 582   1.883  -6.924  -5.445
  126    HE1  TYR 582           2HE      TYR 582   0.836  -5.611  -0.762
  127    HE2  TYR 582           1HE      TYR 582   1.015  -8.635  -3.823
  128    HH   TYR 582           HH       TYR 582   0.237  -9.016  -1.688
  129    H    GLN 583           H        GLN 583   4.084  -3.508  -2.009
  130    HA   GLN 583           HA       GLN 583   6.656  -4.929  -2.574
  131    HB2  GLN 583           1HB      GLN 583   6.210  -3.013  -0.290
  132    HB3  GLN 583           2HB      GLN 583   7.721  -3.630  -0.939
  133    HG2  GLN 583           1HG      GLN 583   7.146  -2.252  -3.086
  134    HG3  GLN 583           2HG      GLN 583   5.868  -1.510  -2.122
  135   HE21  GLN 583          1HE2      GLN 583   7.470   0.306  -3.043
  136   HE22  GLN 583          2HE2      GLN 583   8.642   0.828  -1.841
  137    HA   PRO 584           HA       PRO 584   3.708  -7.424   0.089
  138    HB2  PRO 584           1HB      PRO 584   4.280  -9.913  -0.996
  139    HB3  PRO 584           2HB      PRO 584   3.066  -8.779  -1.642
  140    HG2  PRO 584           1HG      PRO 584   5.931  -9.149  -2.553
  141    HG3  PRO 584           2HG      PRO 584   4.450  -9.058  -3.562
  142    HD2  PRO 584           1HD      PRO 584   6.030  -6.912  -3.223
  143    HD3  PRO 584           2HD      PRO 584   4.250  -6.730  -3.212
  144    H    HIS 585           H        HIS 585   7.138  -7.857  -0.605
  145    HA   HIS 585           HA       HIS 585   7.790  -9.570   1.644
  146    HB2  HIS 585           1HB      HIS 585  10.086  -9.040   1.017
  147    HB3  HIS 585           2HB      HIS 585   9.137  -9.489  -0.391
  148    HD2  HIS 585           2HD      HIS 585  11.876  -7.480  -0.012
  149    HE1  HIS 585           1HE      HIS 585   9.388  -4.836  -2.247
  150    HE2  HIS 585           2HE      HIS 585  11.779  -5.333  -1.537
  151    H    LYS 586           H        LYS 586   7.223  -6.163   1.331
  152    HA   LYS 586           HA       LYS 586   8.215  -5.640   4.122
  153    HB2  LYS 586           1HB      LYS 586   7.868  -3.763   1.746
  154    HB3  LYS 586           2HB      LYS 586   8.302  -3.253   3.382
  155    HG2  LYS 586           1HG      LYS 586  10.343  -4.657   3.303
  156    HG3  LYS 586           2HG      LYS 586   9.948  -5.144   1.644
  157    HD2  LYS 586           1HD      LYS 586  10.081  -2.798   0.898
  158    HD3  LYS 586           2HD      LYS 586  10.447  -2.281   2.561
  159    HE2  LYS 586           1HE      LYS 586  12.488  -3.703   2.545
  160    HE3  LYS 586           2HE      LYS 586  12.122  -4.215   0.894
  161    HZ1  LYS 586           3HZ      LYS 586  13.728  -2.398   0.907
  162    HZ2  LYS 586           1HZ      LYS 586  12.713  -1.422   1.728
  163    HZ3  LYS 586           2HZ      LYS 586  12.353  -1.877   0.199
  164    H    LYS 587           H        LYS 587   5.406  -6.102   2.382
  165    HA   LYS 587           HA       LYS 587   3.232  -5.540   2.496
  166    HB2  LYS 587           1HB      LYS 587   3.897  -5.582   5.452
  167    HB3  LYS 587           2HB      LYS 587   2.262  -5.240   4.876
  168    HG2  LYS 587           1HG      LYS 587   2.210  -7.329   3.597
  169    HG3  LYS 587           2HG      LYS 587   3.859  -7.724   4.122
  170    HD2  LYS 587           1HD      LYS 587   3.159  -7.976   6.420
  171    HD3  LYS 587           2HD      LYS 587   1.598  -7.225   6.086
  172    HE2  LYS 587           1HE      LYS 587   1.247  -9.600   6.287
  173    HE3  LYS 587           2HE      LYS 587   0.959  -9.108   4.617
  174    HZ1  LYS 587           3HZ      LYS 587   3.460 -10.387   5.617
  175    HZ2  LYS 587           1HZ      LYS 587   3.190  -9.958   4.061
  176    HZ3  LYS 587           2HZ      LYS 587   2.304 -11.142   4.750
  177    H    ARG 588           H        ARG 588   4.640  -3.657   1.490
  178    HA   ARG 588           HA       ARG 588   3.458  -1.069   2.447
  179    HB2  ARG 588           1HB      ARG 588   5.942  -1.405   2.880
  180    HB3  ARG 588           2HB      ARG 588   6.190  -1.412   1.145
  181    HG2  ARG 588           1HG      ARG 588   5.296   0.895   1.014
  182    HG3  ARG 588           2HG      ARG 588   5.001   0.877   2.758
  183    HD2  ARG 588           1HD      ARG 588   7.497   0.408   3.035
  184    HD3  ARG 588           2HD      ARG 588   7.673   0.651   1.300
  185    HE   ARG 588           HE       ARG 588   6.291   2.881   2.519
  186   HH11  ARG 588          1HH1      ARG 588   9.546   1.617   2.109
  187   HH12  ARG 588          2HH1      ARG 588  10.285   3.146   2.495
  188   HH21  ARG 588          1HH2      ARG 588   7.286   4.736   3.112
  189   HH22  ARG 588          2HH2      ARG 588   9.030   4.894   3.013
  190    H    GLY 589           H        GLY 589   2.757   0.372   0.864
  191    HA2  GLY 589           1HA      GLY 589   2.981  -0.438  -2.003
  192    HA3  GLY 589           2HA      GLY 589   1.400  -0.078  -1.312
  193    H    LEU 590           H        LEU 590   3.603   1.219  -3.253
  194    HA   LEU 590           HA       LEU 590   3.327   4.017  -2.224
  195    HB2  LEU 590           1HB      LEU 590   5.543   2.824  -3.924
  196    HB3  LEU 590           2HB      LEU 590   5.339   4.539  -3.574
  197    HG   LEU 590           HG       LEU 590   5.991   2.344  -1.569
  198   HD11  LEU 590          1HD1      LEU 590   7.856   3.161  -3.001
  199   HD12  LEU 590          2HD1      LEU 590   8.074   3.597  -1.296
  200   HD13  LEU 590          3HD1      LEU 590   7.526   4.821  -2.462
  201   HD21  LEU 590          3HD2      LEU 590   4.607   3.778  -0.356
  202   HD22  LEU 590          1HD2      LEU 590   5.196   5.254  -1.152
  203   HD23  LEU 590          2HD2      LEU 590   6.223   4.356   0.018
  204    H    CYS 591           H        CYS 591   2.062   5.311  -3.314
  205    HA   CYS 591           HA       CYS 591   0.590   4.536  -5.562
  206    HB2  CYS 591           1HB      CYS 591   0.039   6.289  -3.865
  207    HB3  CYS 591           2HB      CYS 591   1.239   7.345  -4.673
  208    H    SER 592           H        SER 592   0.593   5.027  -7.716
  209    HA   SER 592           HA       SER 592   3.209   5.665  -8.968
  210    HB2  SER 592           1HB      SER 592   1.912   3.587  -9.553
  211    HB3  SER 592           2HB      SER 592   0.710   4.627 -10.334
  212    HG   SER 592           HG       SER 592   2.470   5.441 -11.646
  213    H    ARG 593           H        ARG 593   0.331   7.347  -8.179
  214    HA   ARG 593           HA       ARG 593   0.449   9.225 -10.459
  215    HB2  ARG 593           1HB      ARG 593  -1.710   8.579  -9.668
  216    HB3  ARG 593           2HB      ARG 593  -1.320   8.998  -8.001
  217    HG2  ARG 593           1HG      ARG 593  -1.270  11.340  -8.472
  218    HG3  ARG 593           2HG      ARG 593  -1.292  11.065 -10.212
  219    HD2  ARG 593           1HD      ARG 593  -3.560  10.306  -8.312
  220    HD3  ARG 593           2HD      ARG 593  -3.480  11.829  -9.182
  221    HE   ARG 593           HE       ARG 593  -3.615  10.634 -11.304
  222   HH11  ARG 593          1HH1      ARG 593  -4.595   8.627  -8.547
  223   HH12  ARG 593          2HH1      ARG 593  -5.772   7.793  -9.502
  224   HH21  ARG 593          1HH2      ARG 593  -5.014   9.381 -12.460
  225   HH22  ARG 593          2HH2      ARG 593  -5.891   8.104 -11.672
  226    H    LEU 594           H        LEU 594   1.876  10.802 -10.513
  227    HA   LEU 594           HA       LEU 594   3.672  11.324  -8.364
  228    HB2  LEU 594           1HB      LEU 594   3.185  12.912 -10.915
  229    HB3  LEU 594           2HB      LEU 594   4.590  13.072  -9.866
  230    HG   LEU 594           HG       LEU 594   3.847  10.584 -11.468
  231   HD11  LEU 594          1HD1      LEU 594   5.842  11.137 -12.782
  232   HD12  LEU 594          2HD1      LEU 594   6.116  12.590 -11.793
  233   HD13  LEU 594          3HD1      LEU 594   4.676  12.469 -12.829
  234   HD21  LEU 594          3HD2      LEU 594   5.019   9.894  -9.431
  235   HD22  LEU 594          1HD2      LEU 594   6.267  11.137  -9.694
  236   HD23  LEU 594          2HD2      LEU 594   6.107   9.764 -10.813
  237    H    ALA 595           H        ALA 595   0.702  13.000  -9.210
  238    HA   ALA 595           HA       ALA 595   1.167  15.291  -7.477
  239    HB1  ALA 595           1HB      ALA 595  -1.389  14.176  -8.711
  240    HB2  ALA 595           2HB      ALA 595  -1.187  15.784  -7.989
  241    HB3  ALA 595           3HB      ALA 595  -0.300  15.365  -9.465
  242    H    CYS 596           H        CYS 596   0.428  12.050  -6.793
  243    HA   CYS 596           HA       CYS 596  -1.023  12.602  -4.246
  244    HB2  CYS 596           1HB      CYS 596  -2.200  11.315  -5.905
  245    HB3  CYS 596           2HB      CYS 596  -0.820  10.256  -6.147
  246    H    GLY 597           H        GLY 597   1.263  10.155  -5.498
  247    HA2  GLY 597           1HA      GLY 597   3.157   9.157  -4.618
  248    HA3  GLY 597           2HA      GLY 597   3.528  10.774  -4.010
  249    H    PHE 598           H        PHE 598   1.210   8.161  -3.095
  250    HA   PHE 598           HA       PHE 598   1.574   8.887  -0.261
  251    HB2  PHE 598           1HB      PHE 598  -0.682   9.034  -1.289
  252    HB3  PHE 598           2HB      PHE 598  -0.665   7.303  -1.600
  253    HD1  PHE 598           1HD      PHE 598   0.099   9.632   1.319
  254    HD2  PHE 598           2HD      PHE 598  -1.886   6.057  -0.032
  255    HE1  PHE 598           1HE      PHE 598  -0.808   9.278   3.604
  256    HE2  PHE 598           2HE      PHE 598  -2.814   5.734   2.272
  257    HZ   PHE 598           HZ       PHE 598  -2.369   7.339   4.032
  258    H    ASP 599           H        ASP 599   1.578   7.257   1.361
  259    HA   ASP 599           HA       ASP 599   2.981   4.737   0.597
  260    HB2  ASP 599           1HB      ASP 599   4.589   6.489   1.219
  261    HB3  ASP 599           2HB      ASP 599   3.711   6.799   2.716
  262    H    PHE 600           H        PHE 600   1.580   3.179   1.123
  263    HA   PHE 600           HA       PHE 600   0.082   3.403   3.693
  264    HB2  PHE 600           1HB      PHE 600  -1.889   2.617   2.603
  265    HB3  PHE 600           2HB      PHE 600  -1.283   4.060   1.826
  266    HD1  PHE 600           2HD      PHE 600  -0.372   3.998  -0.477
  267    HD2  PHE 600           1HD      PHE 600  -1.955   0.478   1.442
  268    HE1  PHE 600           2HE      PHE 600  -0.625   2.906  -2.681
  269    HE2  PHE 600           1HE      PHE 600  -2.209  -0.620  -0.765
  270    HZ   PHE 600           HZ       PHE 600  -1.568   0.597  -2.836
  271    H    CYS 601           H        CYS 601  -0.789   1.621   4.614
  272    HA   CYS 601           HA       CYS 601   0.797  -0.839   4.619
  273    HB2  CYS 601           1HB      CYS 601   0.023   0.133   6.701
  274    HB3  CYS 601           2HB      CYS 601  -1.638   0.204   6.099
  275    H    VAL 602           H        VAL 602   0.371  -2.535   3.384
  276    HA   VAL 602           HA       VAL 602  -1.909  -2.527   1.561
  277    HB   VAL 602           HB       VAL 602  -0.915  -4.473   0.528
  278   HG11  VAL 602          1HG1      VAL 602   1.145  -2.351   1.213
  279   HG12  VAL 602          2HG1      VAL 602   1.237  -3.480  -0.146
  280   HG13  VAL 602          3HG1      VAL 602  -0.059  -2.281  -0.093
  281   HG21  VAL 602          3HG2      VAL 602   1.304  -5.335   1.389
  282   HG22  VAL 602          1HG2      VAL 602   0.958  -4.493   2.912
  283   HG23  VAL 602          2HG2      VAL 602  -0.108  -5.788   2.352
  284    H    LEU 603           H        LEU 603  -1.750  -3.573   4.718
  285    HA   LEU 603           HA       LEU 603  -3.694  -5.808   4.319
  286    HB2  LEU 603           1HB      LEU 603  -2.240  -4.806   6.776
  287    HB3  LEU 603           2HB      LEU 603  -3.435  -6.096   6.774
  288    HG   LEU 603           HG       LEU 603  -0.700  -6.157   5.441
  289   HD11  LEU 603          1HD1      LEU 603  -1.968  -7.717   7.740
  290   HD12  LEU 603          2HD1      LEU 603  -0.718  -6.464   7.883
  291   HD13  LEU 603          3HD1      LEU 603  -0.348  -8.004   7.088
  292   HD21  LEU 603          3HD2      LEU 603  -2.925  -8.244   5.400
  293   HD22  LEU 603          1HD2      LEU 603  -1.240  -8.553   4.934
  294   HD23  LEU 603          2HD2      LEU 603  -2.208  -7.419   3.994
  295    H    CYS 604           H        CYS 604  -3.499  -2.523   5.729
  296    HA   CYS 604           HA       CYS 604  -6.436  -2.648   6.237
  297    HB2  CYS 604           1HB      CYS 604  -6.220  -1.549   8.236
  298    HB3  CYS 604           2HB      CYS 604  -5.124  -2.921   8.295
  299    H    LEU 605           H        LEU 605  -4.277  -1.082   4.379
  300    HA   LEU 605           HA       LEU 605  -4.372   0.694   2.992
  301    HB2  LEU 605           1HB      LEU 605  -7.335   0.162   3.334
  302    HB3  LEU 605           2HB      LEU 605  -6.712   1.286   2.144
  303    HG   LEU 605           HG       LEU 605  -5.989  -1.668   2.227
  304   HD11  LEU 605          1HD1      LEU 605  -8.355  -1.261   1.636
  305   HD12  LEU 605          2HD1      LEU 605  -7.427  -1.835   0.242
  306   HD13  LEU 605          3HD1      LEU 605  -7.847  -0.113   0.377
  307   HD21  LEU 605          3HD2      LEU 605  -4.198  -0.412   1.165
  308   HD22  LEU 605          1HD2      LEU 605  -5.359   0.559   0.233
  309   HD23  LEU 605          2HD2      LEU 605  -5.149  -1.175  -0.107
  310    H    CYS 606           H        CYS 606  -4.019   1.406   5.717
  311    HA   CYS 606           HA       CYS 606  -4.735   4.315   5.511
  312    HB2  CYS 606           1HB      CYS 606  -4.166   2.598   7.956
  313    HB3  CYS 606           2HB      CYS 606  -4.175   4.366   7.988
  314    HG   CYS 606           HG       CYS 606  -6.445   3.489   8.954
  315    H    ALA 607           H        ALA 607  -2.907   5.624   6.711
  316    HA   ALA 607           HA       ALA 607  -0.577   5.576   5.131
  317    HB1  ALA 607           1HB      ALA 607   0.333   7.129   6.820
  318    HB2  ALA 607           2HB      ALA 607  -1.347   7.533   6.415
  319    HB3  ALA 607           3HB      ALA 607  -0.977   6.692   7.940
  320    H    TYR 608           H        TYR 608   1.362   4.604   5.242
  321    HA   TYR 608           HA       TYR 608   1.502   2.039   6.285
  322    HB2  TYR 608           1HB      TYR 608   2.732   2.827   4.355
  323    HB3  TYR 608           2HB      TYR 608   3.679   3.921   5.347
  324    HD1  TYR 608           2HD      TYR 608   2.822   0.217   5.389
  325    HD2  TYR 608           1HD      TYR 608   5.874   3.271   5.555
  326    HE1  TYR 608           2HE      TYR 608   4.588  -1.541   5.390
  327    HE2  TYR 608           1HE      TYR 608   7.629   1.516   5.521
  328    HH   TYR 608           HH       TYR 608   8.018  -0.658   4.983
  329    H    HIS 609           H        HIS 609   2.112   1.080   8.086
  330    HA   HIS 609           HA       HIS 609   3.416   2.657  10.245
  331    HB2  HIS 609           1HB      HIS 609   1.960   1.535  11.842
  332    HB3  HIS 609           2HB      HIS 609   1.079   2.496  10.669
  333    HD1  HIS 609           1HD      HIS 609   1.833  -1.254  11.362
  334    HD2  HIS 609           2HD      HIS 609  -0.888   1.303   9.414
  335    HE1  HIS 609           1HE      HIS 609  -0.073  -2.713  10.644
  336    H    GLY 610           H        GLY 610   4.576   0.713   8.248
  337    HA2  GLY 610           1HA      GLY 610   6.341  -0.774   8.220
  338    HA3  GLY 610           2HA      GLY 610   6.791   0.068   9.694
  339    H    SER 611           H        SER 611   7.265  -1.237  11.299
  340    HA   SER 611           HA       SER 611   6.617  -4.101  11.249
  341    HB2  SER 611           1HB      SER 611   8.174  -2.468  13.287
  342    HB3  SER 611           2HB      SER 611   8.144  -4.235  13.147
  343    HG   SER 611           HG       SER 611   9.982  -3.309  12.116
  344    H    GLU 612           H        GLU 612   4.899  -1.479  12.598
  345    HA   GLU 612           HA       GLU 612   3.899  -2.944  14.964
  346    HB2  GLU 612           1HB      GLU 612   3.260  -0.241  13.737
  347    HB3  GLU 612           2HB      GLU 612   2.244  -0.971  14.969
  348    HG2  GLU 612           1HG      GLU 612   3.742   0.528  16.061
  349    HG3  GLU 612           2HG      GLU 612   4.124  -1.119  16.535
  350    H    ASP 613           H        ASP 613   1.694  -3.614  15.233
  351    HA   ASP 613           HA       ASP 613   0.624  -4.897  12.832
  352    HB2  ASP 613           1HB      ASP 613   0.868  -5.998  15.082
  353    HB3  ASP 613           2HB      ASP 613  -0.434  -4.952  15.666
  354    H    CYS 614           H        CYS 614  -1.665  -4.897  12.330
  355    HA   CYS 614           HA       CYS 614  -2.717  -2.215  11.936
  356    HB2  CYS 614           1HB      CYS 614  -3.775  -4.980  11.225
  357    HB3  CYS 614           2HB      CYS 614  -4.556  -3.473  10.752
  358    H    ARG 615           H        ARG 615  -4.884  -1.593  12.393
  359    HA   ARG 615           HA       ARG 615  -5.663  -1.826  15.163
  360    HB2  ARG 615           1HB      ARG 615  -7.412  -0.246  14.603
  361    HB3  ARG 615           2HB      ARG 615  -5.908   0.232  13.815
  362    HG2  ARG 615           1HG      ARG 615  -6.774  -0.948  11.709
  363    HG3  ARG 615           2HG      ARG 615  -8.331  -1.114  12.527
  364    HD2  ARG 615           1HD      ARG 615  -8.590   1.286  12.692
  365    HD3  ARG 615           2HD      ARG 615  -6.944   1.573  12.123
  366    HE   ARG 615           HE       ARG 615  -9.293   0.971  10.496
  367   HH11  ARG 615          1HH1      ARG 615  -5.800   0.872  10.479
  368   HH12  ARG 615          2HH1      ARG 615  -5.701   0.399   8.812
  369   HH21  ARG 615          1HH2      ARG 615  -9.117   0.614   8.291
  370   HH22  ARG 615          2HH2      ARG 615  -7.535   0.492   7.558
  371    H    ARG 616           H        ARG 616  -7.807  -2.324  15.929
  372    HA   ARG 616           HA       ARG 616  -9.298  -4.475  14.480
  373    HB2  ARG 616           1HB      ARG 616  -8.486  -4.518  17.421
  374    HB3  ARG 616           2HB      ARG 616  -9.640  -5.624  16.668
  375    HG2  ARG 616           1HG      ARG 616  -7.838  -6.424  15.114
  376    HG3  ARG 616           2HG      ARG 616  -6.690  -5.358  15.936
  377    HD2  ARG 616           1HD      ARG 616  -6.398  -7.553  16.831
  378    HD3  ARG 616           2HD      ARG 616  -7.146  -6.544  18.080
  379    HE   ARG 616           HE       ARG 616  -9.130  -7.977  16.517
  380   HH11  ARG 616          1HH1      ARG 616  -6.864  -8.523  19.132
  381   HH12  ARG 616          2HH1      ARG 616  -7.797  -9.842  19.787
  382   HH21  ARG 616          1HH2      ARG 616 -10.277  -9.658  17.410
  383   HH22  ARG 616          2HH2      ARG 616  -9.675 -10.465  18.827
  384    H    GLY 617           H        GLY 617 -11.490  -4.702  15.068
  385    HA2  GLY 617           1HA      GLY 617 -13.024  -3.184  16.861
  386    HA3  GLY 617           2HA      GLY 617 -12.943  -2.230  15.377
  Start of MODEL    3
    1    H    THR 566           1H       THR 566  -4.827 -14.203 -14.843
    2    HA   THR 566           HA       THR 566  -3.513 -12.235 -15.053
    3    HB   THR 566           HB       THR 566  -4.831 -10.860 -13.494
    4    HG1  THR 566           1HG      THR 566  -3.074  -9.719 -12.813
    5   HG21  THR 566          1HG2      THR 566  -5.001 -12.363 -11.510
    6   HG22  THR 566          2HG2      THR 566  -4.297 -10.792 -11.114
    7   HG23  THR 566          3HG2      THR 566  -3.244 -12.210 -11.261
    8    H    ASP 567           H        ASP 567  -1.287 -12.070 -14.342
    9    HA   ASP 567           HA       ASP 567  -0.254 -14.459 -12.869
   10    HB2  ASP 567           1HB      ASP 567   0.002 -14.576 -15.378
   11    HB3  ASP 567           2HB      ASP 567   1.021 -13.141 -15.291
   12    H    GLU 568           H        GLU 568  -0.759 -11.351 -12.379
   13    HA   GLU 568           HA       GLU 568   1.725 -10.872 -10.828
   14    HB2  GLU 568           1HB      GLU 568   1.937  -8.616 -11.693
   15    HB3  GLU 568           2HB      GLU 568   2.073  -9.791 -12.993
   16    HG2  GLU 568           1HG      GLU 568  -0.293  -9.324 -13.653
   17    HG3  GLU 568           2HG      GLU 568  -0.408  -8.129 -12.357
   18    H    ALA 569           H        ALA 569   1.416  -8.702  -9.526
   19    HA   ALA 569           HA       ALA 569  -1.314  -8.349  -8.501
   20    HB1  ALA 569           1HB      ALA 569  -0.395 -10.107  -7.041
   21    HB2  ALA 569           2HB      ALA 569   1.065  -9.123  -6.754
   22    HB3  ALA 569           3HB      ALA 569  -0.507  -8.557  -6.167
   23    H    LEU 570           H        LEU 570  -1.661  -6.320  -8.406
   24    HA   LEU 570           HA       LEU 570   0.150  -4.408  -7.146
   25    HB2  LEU 570           1HB      LEU 570  -1.044  -3.948  -9.912
   26    HB3  LEU 570           2HB      LEU 570  -0.381  -2.667  -8.901
   27    HG   LEU 570           HG       LEU 570   1.241  -5.041  -9.938
   28   HD11  LEU 570          1HD1      LEU 570   2.254  -3.438 -11.434
   29   HD12  LEU 570          2HD1      LEU 570   1.158  -2.158 -10.843
   30   HD13  LEU 570          3HD1      LEU 570   0.508  -3.566 -11.732
   31   HD21  LEU 570          3HD2      LEU 570   2.107  -2.428  -8.633
   32   HD22  LEU 570          1HD2      LEU 570   3.191  -3.686  -9.274
   33   HD23  LEU 570          2HD2      LEU 570   2.178  -4.040  -7.877
   34    H    LYS 571           H        LYS 571  -0.982  -3.188  -5.762
   35    HA   LYS 571           HA       LYS 571  -3.913  -3.598  -5.646
   36    HB2  LYS 571           1HB      LYS 571  -1.983  -2.590  -3.537
   37    HB3  LYS 571           2HB      LYS 571  -3.707  -2.768  -3.303
   38    HG2  LYS 571           1HG      LYS 571  -3.561  -5.194  -3.803
   39    HG3  LYS 571           2HG      LYS 571  -1.798  -5.052  -3.963
   40    HD2  LYS 571           1HD      LYS 571  -1.602  -4.275  -1.664
   41    HD3  LYS 571           2HD      LYS 571  -3.353  -4.327  -1.432
   42    HE2  LYS 571           1HE      LYS 571  -1.643  -6.756  -2.138
   43    HE3  LYS 571           2HE      LYS 571  -2.044  -6.293  -0.484
   44    HZ1  LYS 571           3HZ      LYS 571  -3.587  -7.954  -1.304
   45    HZ2  LYS 571           1HZ      LYS 571  -4.039  -7.020  -2.561
   46    HZ3  LYS 571           2HZ      LYS 571  -4.398  -6.566  -1.029
   47    HA   PRO 572           HA       PRO 572  -4.832   0.671  -6.559
   48    HB2  PRO 572           1HB      PRO 572  -7.252   0.983  -5.348
   49    HB3  PRO 572           2HB      PRO 572  -7.024   0.020  -6.825
   50    HG2  PRO 572           1HG      PRO 572  -7.203  -0.934  -3.948
   51    HG3  PRO 572           2HG      PRO 572  -7.996  -1.631  -5.394
   52    HD2  PRO 572           1HD      PRO 572  -5.641  -2.613  -4.308
   53    HD3  PRO 572           2HD      PRO 572  -6.029  -2.725  -6.053
   54    H    CYS 573           H        CYS 573  -4.120   2.474  -5.680
   55    HA   CYS 573           HA       CYS 573  -3.249   2.958  -3.066
   56    HB2  CYS 573           1HB      CYS 573  -2.530   4.162  -5.009
   57    HB3  CYS 573           2HB      CYS 573  -4.167   4.638  -5.402
   58    HA   PRO 574           HA       PRO 574  -7.172   3.504  -0.959
   59    HB2  PRO 574           1HB      PRO 574  -6.264   4.422   1.471
   60    HB3  PRO 574           2HB      PRO 574  -6.035   2.737   0.900
   61    HG2  PRO 574           1HG      PRO 574  -4.129   5.067   0.671
   62    HG3  PRO 574           2HG      PRO 574  -3.772   3.420   1.321
   63    HD2  PRO 574           1HD      PRO 574  -3.147   4.090  -1.195
   64    HD3  PRO 574           2HD      PRO 574  -3.797   2.463  -0.807
   65    H    ARG 575           H        ARG 575  -5.144   6.116  -1.935
   66    HA   ARG 575           HA       ARG 575  -7.112   8.225  -1.134
   67    HB2  ARG 575           1HB      ARG 575  -4.363   8.268  -2.400
   68    HB3  ARG 575           2HB      ARG 575  -5.420   9.672  -2.438
   69    HG2  ARG 575           1HG      ARG 575  -5.558   9.607   0.063
   70    HG3  ARG 575           2HG      ARG 575  -4.279   8.366   0.055
   71    HD2  ARG 575           1HD      ARG 575  -2.766   9.889  -1.120
   72    HD3  ARG 575           2HD      ARG 575  -4.048  11.088  -1.322
   73    HE   ARG 575           HE       ARG 575  -3.861  10.718   1.429
   74   HH11  ARG 575          1HH1      ARG 575  -1.585  11.756  -1.042
   75   HH12  ARG 575          2HH1      ARG 575  -0.778  12.849   0.038
   76   HH21  ARG 575          1HH2      ARG 575  -2.776  12.149   2.750
   77   HH22  ARG 575          2HH2      ARG 575  -1.425  13.051   2.132
   78    H    CYS 576           H        CYS 576  -5.650   6.927  -4.131
   79    HA   CYS 576           HA       CYS 576  -7.834   8.259  -5.678
   80    HB2  CYS 576           1HB      CYS 576  -6.260   8.969  -7.286
   81    HB3  CYS 576           2HB      CYS 576  -5.689   9.465  -5.686
   82    H    GLN 577           H        GLN 577  -6.705   5.237  -4.978
   83    HA   GLN 577           HA       GLN 577  -6.958   3.200  -5.795
   84    HB2  GLN 577           1HB      GLN 577  -9.121   4.353  -7.568
   85    HB3  GLN 577           2HB      GLN 577  -8.905   2.653  -7.196
   86    HG2  GLN 577           1HG      GLN 577  -9.446   4.709  -5.007
   87    HG3  GLN 577           2HG      GLN 577 -10.720   3.942  -5.935
   88   HE21  GLN 577          1HE2      GLN 577  -8.033   3.198  -3.628
   89   HE22  GLN 577          2HE2      GLN 577  -8.792   1.698  -3.104
   90    H    SER 578           H        SER 578  -5.183   5.211  -7.379
   91    HA   SER 578           HA       SER 578  -4.758   3.999  -9.956
   92    HB2  SER 578           1HB      SER 578  -2.757   5.416  -8.143
   93    HB3  SER 578           2HB      SER 578  -2.560   5.088  -9.870
   94    HG   SER 578           HG       SER 578  -4.160   6.963  -8.554
   95    HA   PRO 579           HA       PRO 579  -2.605   0.239  -8.651
   96    HB2  PRO 579           1HB      PRO 579  -0.861  -0.199 -10.723
   97    HB3  PRO 579           2HB      PRO 579  -2.613  -0.516 -10.828
   98    HG2  PRO 579           1HG      PRO 579  -1.092   1.955 -11.713
   99    HG3  PRO 579           2HG      PRO 579  -2.311   1.028 -12.652
  100    HD2  PRO 579           1HD      PRO 579  -2.965   3.302 -11.324
  101    HD3  PRO 579           2HD      PRO 579  -4.091   1.908 -11.341
  102    H    ALA 580           H        ALA 580  -1.437   0.622  -6.944
  103    HA   ALA 580           HA       ALA 580   0.919   2.380  -6.887
  104    HB1  ALA 580           1HB      ALA 580  -0.435   0.643  -4.789
  105    HB2  ALA 580           2HB      ALA 580   0.889   1.775  -4.470
  106    HB3  ALA 580           3HB      ALA 580  -0.675   2.391  -5.041
  107    H    LYS 581           H        LYS 581   3.033   1.726  -6.495
  108    HA   LYS 581           HA       LYS 581   3.976  -0.798  -7.550
  109    HB2  LYS 581           1HB      LYS 581   5.264   1.395  -7.488
  110    HB3  LYS 581           2HB      LYS 581   5.479   1.144  -5.741
  111    HG2  LYS 581           1HG      LYS 581   6.649  -0.985  -6.168
  112    HG3  LYS 581           2HG      LYS 581   6.392  -0.791  -7.914
  113    HD2  LYS 581           1HD      LYS 581   7.734   1.292  -7.887
  114    HD3  LYS 581           2HD      LYS 581   7.984   1.118  -6.136
  115    HE2  LYS 581           1HE      LYS 581   9.125  -1.049  -6.504
  116    HE3  LYS 581           2HE      LYS 581   8.845  -0.914  -8.245
  117    HZ1  LYS 581           3HZ      LYS 581  10.238   1.086  -8.251
  118    HZ2  LYS 581           1HZ      LYS 581  11.080  -0.176  -7.653
  119    HZ3  LYS 581           2HZ      LYS 581  10.500   0.965  -6.641
  120    H    TYR 582           H        TYR 582   3.451  -2.613  -6.578
  121    HA   TYR 582           HA       TYR 582   2.829  -2.722  -3.746
  122    HB2  TYR 582           1HB      TYR 582   1.455  -3.811  -5.538
  123    HB3  TYR 582           2HB      TYR 582   2.832  -4.840  -5.897
  124    HD1  TYR 582           2HD      TYR 582   1.647  -3.989  -2.443
  125    HD2  TYR 582           1HD      TYR 582   1.798  -6.869  -5.638
  126    HE1  TYR 582           2HE      TYR 582   0.886  -5.751  -0.873
  127    HE2  TYR 582           1HE      TYR 582   0.997  -8.655  -4.058
  128    HH   TYR 582           HH       TYR 582   0.301  -9.128  -1.915
  129    H    GLN 583           H        GLN 583   3.998  -3.563  -2.126
  130    HA   GLN 583           HA       GLN 583   6.590  -4.936  -2.702
  131    HB2  GLN 583           1HB      GLN 583   6.105  -3.008  -0.435
  132    HB3  GLN 583           2HB      GLN 583   7.635  -3.611  -1.055
  133    HG2  GLN 583           1HG      GLN 583   7.095  -2.251  -3.214
  134    HG3  GLN 583           2HG      GLN 583   5.767  -1.542  -2.300
  135   HE21  GLN 583          1HE2      GLN 583   7.440   0.264  -3.234
  136   HE22  GLN 583          2HE2      GLN 583   8.516   0.848  -1.970
  137    HA   PRO 584           HA       PRO 584   3.700  -7.447   0.012
  138    HB2  PRO 584           1HB      PRO 584   4.321  -9.936  -1.053
  139    HB3  PRO 584           2HB      PRO 584   3.066  -8.843  -1.686
  140    HG2  PRO 584           1HG      PRO 584   5.913  -9.161  -2.659
  141    HG3  PRO 584           2HG      PRO 584   4.408  -9.093  -3.632
  142    HD2  PRO 584           1HD      PRO 584   5.974  -6.926  -3.331
  143    HD3  PRO 584           2HD      PRO 584   4.193  -6.766  -3.304
  144    H    HIS 585           H        HIS 585   7.125  -7.854  -0.744
  145    HA   HIS 585           HA       HIS 585   7.856  -9.483   1.538
  146    HB2  HIS 585           1HB      HIS 585  10.127  -8.933   0.845
  147    HB3  HIS 585           2HB      HIS 585   9.156  -9.423  -0.534
  148    HD2  HIS 585           2HD      HIS 585  11.869  -7.362  -0.249
  149    HE1  HIS 585           1HE      HIS 585   9.288  -4.785  -2.456
  150    HE2  HIS 585           2HE      HIS 585  11.702  -5.234  -1.794
  151    H    LYS 586           H        LYS 586   7.164  -6.117   1.179
  152    HA   LYS 586           HA       LYS 586   8.195  -5.505   3.937
  153    HB2  LYS 586           1HB      LYS 586   7.873  -3.684   1.515
  154    HB3  LYS 586           2HB      LYS 586   8.319  -3.143   3.138
  155    HG2  LYS 586           1HG      LYS 586  10.334  -4.580   3.085
  156    HG3  LYS 586           2HG      LYS 586   9.938  -5.080   1.431
  157    HD2  LYS 586           1HD      LYS 586  10.056  -2.733   0.674
  158    HD3  LYS 586           2HD      LYS 586  10.478  -2.208   2.309
  159    HE2  LYS 586           1HE      LYS 586  12.104  -4.175   0.627
  160    HE3  LYS 586           2HE      LYS 586  12.420  -2.439   0.704
  161    HZ1  LYS 586           3HZ      LYS 586  12.567  -4.293   3.022
  162    HZ2  LYS 586           1HZ      LYS 586  12.822  -2.678   3.098
  163    HZ3  LYS 586           2HZ      LYS 586  13.838  -3.628   2.250
  164    H    LYS 587           H        LYS 587   5.426  -6.288   2.470
  165    HA   LYS 587           HA       LYS 587   3.228  -5.718   2.446
  166    HB2  LYS 587           1HB      LYS 587   3.944  -5.578   5.391
  167    HB3  LYS 587           2HB      LYS 587   2.279  -5.343   4.842
  168    HG2  LYS 587           1HG      LYS 587   2.292  -7.482   3.661
  169    HG3  LYS 587           2HG      LYS 587   3.969  -7.782   4.157
  170    HD2  LYS 587           1HD      LYS 587   3.345  -7.985   6.474
  171    HD3  LYS 587           2HD      LYS 587   1.750  -7.293   6.171
  172    HE2  LYS 587           1HE      LYS 587   1.490  -9.672   6.464
  173    HE3  LYS 587           2HE      LYS 587   1.114  -9.240   4.796
  174    HZ1  LYS 587           3HZ      LYS 587   2.526 -11.228   4.931
  175    HZ2  LYS 587           1HZ      LYS 587   3.695 -10.412   5.722
  176    HZ3  LYS 587           2HZ      LYS 587   3.344 -10.041   4.167
  177    H    ARG 588           H        ARG 588   4.597  -3.761   1.394
  178    HA   ARG 588           HA       ARG 588   3.309  -1.212   2.321
  179    HB2  ARG 588           1HB      ARG 588   5.768  -1.508   2.826
  180    HB3  ARG 588           2HB      ARG 588   6.081  -1.538   1.108
  181    HG2  ARG 588           1HG      ARG 588   5.279   0.745   0.876
  182    HG3  ARG 588           2HG      ARG 588   4.772   0.781   2.581
  183    HD2  ARG 588           1HD      ARG 588   7.092   0.476   3.302
  184    HD3  ARG 588           2HD      ARG 588   7.624   0.253   1.655
  185    HE   ARG 588           HE       ARG 588   6.252   2.809   2.379
  186   HH11  ARG 588          1HH1      ARG 588   9.318   1.305   1.540
  187   HH12  ARG 588          2HH1      ARG 588  10.152   2.835   1.486
  188   HH21  ARG 588          1HH2      ARG 588   7.381   4.663   2.432
  189   HH22  ARG 588          2HH2      ARG 588   9.064   4.717   1.934
  190    H    GLY 589           H        GLY 589   2.655   0.263   0.747
  191    HA2  GLY 589           1HA      GLY 589   2.959  -0.493  -2.118
  192    HA3  GLY 589           2HA      GLY 589   1.344  -0.196  -1.486
  193    H    LEU 590           H        LEU 590   3.454   1.205  -3.382
  194    HA   LEU 590           HA       LEU 590   3.218   3.973  -2.259
  195    HB2  LEU 590           1HB      LEU 590   5.404   2.786  -4.006
  196    HB3  LEU 590           2HB      LEU 590   5.235   4.496  -3.627
  197    HG   LEU 590           HG       LEU 590   5.865   2.260  -1.664
  198   HD11  LEU 590          1HD1      LEU 590   7.439   4.721  -2.538
  199   HD12  LEU 590          2HD1      LEU 590   7.727   3.065  -3.114
  200   HD13  LEU 590          3HD1      LEU 590   7.979   3.463  -1.404
  201   HD21  LEU 590          3HD2      LEU 590   6.165   4.254  -0.059
  202   HD22  LEU 590          1HD2      LEU 590   4.533   3.703  -0.405
  203   HD23  LEU 590          2HD2      LEU 590   5.131   5.177  -1.199
  204    H    CYS 591           H        CYS 591   1.957   5.334  -3.338
  205    HA   CYS 591           HA       CYS 591   0.566   4.567  -5.671
  206    HB2  CYS 591           1HB      CYS 591  -0.134   6.240  -3.932
  207    HB3  CYS 591           2HB      CYS 591   0.996   7.394  -4.700
  208    H    SER 592           H        SER 592   0.731   4.990  -7.792
  209    HA   SER 592           HA       SER 592   3.352   5.721  -8.919
  210    HB2  SER 592           1HB      SER 592   1.999   3.779  -9.704
  211    HB3  SER 592           2HB      SER 592   0.776   4.909 -10.318
  212    HG   SER 592           HG       SER 592   2.302   4.229 -11.924
  213    H    ARG 593           H        ARG 593   0.344   7.355  -8.273
  214    HA   ARG 593           HA       ARG 593   0.599   9.369 -10.395
  215    HB2  ARG 593           1HB      ARG 593  -1.572   8.570  -9.808
  216    HB3  ARG 593           2HB      ARG 593  -1.330   8.908  -8.096
  217    HG2  ARG 593           1HG      ARG 593  -1.423  11.278  -8.433
  218    HG3  ARG 593           2HG      ARG 593  -1.339  11.093 -10.193
  219    HD2  ARG 593           1HD      ARG 593  -3.530  10.044 -10.254
  220    HD3  ARG 593           2HD      ARG 593  -3.581   9.919  -8.500
  221    HE   ARG 593           HE       ARG 593  -3.742  12.469 -10.078
  222   HH11  ARG 593          1HH1      ARG 593  -4.586  10.740  -7.149
  223   HH12  ARG 593          2HH1      ARG 593  -5.440  12.109  -6.484
  224   HH21  ARG 593          1HH2      ARG 593  -4.881  14.153  -9.186
  225   HH22  ARG 593          2HH2      ARG 593  -5.623  13.973  -7.626
  226    H    LEU 594           H        LEU 594   1.923  11.025 -10.277
  227    HA   LEU 594           HA       LEU 594   3.479  11.628  -7.964
  228    HB2  LEU 594           1HB      LEU 594   3.076  13.245 -10.512
  229    HB3  LEU 594           2HB      LEU 594   4.365  13.493  -9.339
  230    HG   LEU 594           HG       LEU 594   3.985  10.999 -11.056
  231   HD11  LEU 594          1HD1      LEU 594   6.025  11.763 -12.182
  232   HD12  LEU 594          2HD1      LEU 594   6.083  13.205 -11.143
  233   HD13  LEU 594          3HD1      LEU 594   4.751  12.988 -12.300
  234   HD21  LEU 594          3HD2      LEU 594   6.247  10.362 -10.227
  235   HD22  LEU 594          1HD2      LEU 594   5.041  10.357  -8.941
  236   HD23  LEU 594          2HD2      LEU 594   6.191  11.711  -9.071
  237    H    ALA 595           H        ALA 595   0.458  13.056  -9.040
  238    HA   ALA 595           HA       ALA 595   0.543  15.332  -7.235
  239    HB1  ALA 595           1HB      ALA 595  -1.772  13.997  -8.704
  240    HB2  ALA 595           2HB      ALA 595  -1.800  15.600  -7.940
  241    HB3  ALA 595           3HB      ALA 595  -0.750  15.310  -9.339
  242    H    CYS 596           H        CYS 596   0.104  12.027  -6.642
  243    HA   CYS 596           HA       CYS 596  -1.618  12.384  -4.229
  244    HB2  CYS 596           1HB      CYS 596  -2.510  11.046  -6.042
  245    HB3  CYS 596           2HB      CYS 596  -1.043  10.073  -6.106
  246    H    GLY 597           H        GLY 597   1.018  10.274  -5.387
  247    HA2  GLY 597           1HA      GLY 597   2.917   9.408  -4.401
  248    HA3  GLY 597           2HA      GLY 597   3.072  11.028  -3.718
  249    H    PHE 598           H        PHE 598   1.096   8.073  -3.052
  250    HA   PHE 598           HA       PHE 598   1.220   8.721  -0.167
  251    HB2  PHE 598           1HB      PHE 598  -0.984   8.687  -1.384
  252    HB3  PHE 598           2HB      PHE 598  -0.815   6.952  -1.587
  253    HD1  PHE 598           1HD      PHE 598  -0.593   9.617   1.091
  254    HD2  PHE 598           2HD      PHE 598  -1.755   5.591   0.128
  255    HE1  PHE 598           1HE      PHE 598  -1.559   9.359   3.369
  256    HE2  PHE 598           2HE      PHE 598  -2.711   5.337   2.431
  257    HZ   PHE 598           HZ       PHE 598  -2.658   7.197   4.012
  258    H    ASP 599           H        ASP 599   1.367   7.048   1.379
  259    HA   ASP 599           HA       ASP 599   2.894   4.630   0.539
  260    HB2  ASP 599           1HB      ASP 599   4.415   6.492   1.151
  261    HB3  ASP 599           2HB      ASP 599   3.610   6.646   2.711
  262    H    PHE 600           H        PHE 600   1.581   3.000   1.097
  263    HA   PHE 600           HA       PHE 600   0.108   3.178   3.685
  264    HB2  PHE 600           1HB      PHE 600  -1.856   2.347   2.629
  265    HB3  PHE 600           2HB      PHE 600  -1.282   3.775   1.809
  266    HD1  PHE 600           2HD      PHE 600  -0.398   3.699  -0.486
  267    HD2  PHE 600           1HD      PHE 600  -1.895   0.171   1.482
  268    HE1  PHE 600           2HE      PHE 600  -0.673   2.594  -2.675
  269    HE2  PHE 600           1HE      PHE 600  -2.152  -0.950  -0.717
  270    HZ   PHE 600           HZ       PHE 600  -1.561   0.262  -2.803
  271    H    CYS 601           H        CYS 601  -0.668   1.388   4.648
  272    HA   CYS 601           HA       CYS 601   0.969  -1.043   4.583
  273    HB2  CYS 601           1HB      CYS 601   0.260  -0.049   6.706
  274    HB3  CYS 601           2HB      CYS 601  -1.429  -0.096   6.190
  275    H    VAL 602           H        VAL 602   0.474  -2.775   3.379
  276    HA   VAL 602           HA       VAL 602  -1.877  -2.703   1.652
  277    HB   VAL 602           HB       VAL 602  -0.971  -4.625   0.529
  278   HG11  VAL 602          1HG1      VAL 602   1.166  -2.577   1.202
  279   HG12  VAL 602          2HG1      VAL 602   1.178  -3.648  -0.204
  280   HG13  VAL 602          3HG1      VAL 602  -0.083  -2.425  -0.047
  281   HG21  VAL 602          3HG2      VAL 602   0.913  -4.815   2.882
  282   HG22  VAL 602          1HG2      VAL 602  -0.115  -6.064   2.179
  283   HG23  VAL 602          2HG2      VAL 602   1.317  -5.506   1.298
  284    H    LEU 603           H        LEU 603  -1.591  -3.851   4.771
  285    HA   LEU 603           HA       LEU 603  -3.587  -6.034   4.420
  286    HB2  LEU 603           1HB      LEU 603  -2.062  -5.057   6.839
  287    HB3  LEU 603           2HB      LEU 603  -3.278  -6.327   6.870
  288    HG   LEU 603           HG       LEU 603  -0.580  -6.427   5.464
  289   HD11  LEU 603          1HD1      LEU 603  -0.546  -6.737   7.907
  290   HD12  LEU 603          2HD1      LEU 603  -0.214  -8.279   7.099
  291   HD13  LEU 603          3HD1      LEU 603  -1.813  -7.975   7.791
  292   HD21  LEU 603          3HD2      LEU 603  -2.143  -7.666   4.054
  293   HD22  LEU 603          1HD2      LEU 603  -2.833  -8.485   5.477
  294   HD23  LEU 603          2HD2      LEU 603  -1.163  -8.814   4.966
  295    H    CYS 604           H        CYS 604  -3.349  -2.773   5.901
  296    HA   CYS 604           HA       CYS 604  -6.279  -2.876   6.432
  297    HB2  CYS 604           1HB      CYS 604  -5.952  -1.502   8.359
  298    HB3  CYS 604           2HB      CYS 604  -5.151  -3.066   8.497
  299    H    LEU 605           H        LEU 605  -4.160  -1.381   4.444
  300    HA   LEU 605           HA       LEU 605  -4.273   0.363   3.016
  301    HB2  LEU 605           1HB      LEU 605  -7.234  -0.161   3.402
  302    HB3  LEU 605           2HB      LEU 605  -6.620   0.940   2.185
  303    HG   LEU 605           HG       LEU 605  -5.896  -2.014   2.310
  304   HD11  LEU 605          1HD1      LEU 605  -7.806  -0.502   0.477
  305   HD12  LEU 605          2HD1      LEU 605  -8.277  -1.631   1.769
  306   HD13  LEU 605          3HD1      LEU 605  -7.379  -2.225   0.363
  307   HD21  LEU 605          3HD2      LEU 605  -4.138  -0.761   1.177
  308   HD22  LEU 605          1HD2      LEU 605  -5.332   0.170   0.246
  309   HD23  LEU 605          2HD2      LEU 605  -5.112  -1.571  -0.049
  310    H    CYS 606           H        CYS 606  -3.825   1.103   5.675
  311    HA   CYS 606           HA       CYS 606  -4.687   3.977   5.606
  312    HB2  CYS 606           1HB      CYS 606  -3.847   2.244   7.973
  313    HB3  CYS 606           2HB      CYS 606  -4.182   3.982   8.048
  314    HG   CYS 606           HG       CYS 606  -6.227   1.577   7.015
  315    H    ALA 607           H        ALA 607  -2.893   5.368   6.714
  316    HA   ALA 607           HA       ALA 607  -0.578   5.362   5.100
  317    HB1  ALA 607           1HB      ALA 607  -0.986   6.568   7.870
  318    HB2  ALA 607           2HB      ALA 607   0.295   7.005   6.718
  319    HB3  ALA 607           3HB      ALA 607  -1.401   7.336   6.318
  320    H    TYR 608           H        TYR 608   1.380   4.426   5.206
  321    HA   TYR 608           HA       TYR 608   1.606   1.917   6.322
  322    HB2  TYR 608           1HB      TYR 608   2.834   2.748   4.382
  323    HB3  TYR 608           2HB      TYR 608   3.806   3.793   5.407
  324    HD1  TYR 608           1HD      TYR 608   2.870   0.173   4.925
  325    HD2  TYR 608           2HD      TYR 608   5.892   2.998   6.172
  326    HE1  TYR 608           1HE      TYR 608   4.560  -1.641   4.942
  327    HE2  TYR 608           2HE      TYR 608   7.588   1.169   6.173
  328    HH   TYR 608           HH       TYR 608   6.796  -2.016   4.798
  329    H    HIS 609           H        HIS 609   2.312   0.980   8.103
  330    HA   HIS 609           HA       HIS 609   3.557   2.622  10.249
  331    HB2  HIS 609           1HB      HIS 609   2.093   1.548  11.859
  332    HB3  HIS 609           2HB      HIS 609   1.180   2.399  10.625
  333    HD1  HIS 609           1HD      HIS 609   2.168  -1.254  11.483
  334    HD2  HIS 609           2HD      HIS 609  -0.691   1.018   9.396
  335    HE1  HIS 609           1HE      HIS 609   0.385  -2.888  10.773
  336    H    GLY 610           H        GLY 610   4.773   0.656   8.306
  337    HA2  GLY 610           1HA      GLY 610   6.516  -0.862   8.337
  338    HA3  GLY 610           2HA      GLY 610   6.912  -0.073   9.858
  339    H    SER 611           H        SER 611   7.307  -1.484  11.401
  340    HA   SER 611           HA       SER 611   6.369  -4.273  11.295
  341    HB2  SER 611           1HB      SER 611   8.143  -2.877  13.329
  342    HB3  SER 611           2HB      SER 611   7.918  -4.625  13.137
  343    HG   SER 611           HG       SER 611   9.823  -3.872  12.092
  344    H    GLU 612           H        GLU 612   4.841  -1.566  12.582
  345    HA   GLU 612           HA       GLU 612   3.883  -2.751  15.085
  346    HB2  GLU 612           1HB      GLU 612   2.827  -0.373  13.509
  347    HB3  GLU 612           2HB      GLU 612   2.319  -0.861  15.125
  348    HG2  GLU 612           1HG      GLU 612   4.678  -0.566  15.930
  349    HG3  GLU 612           2HG      GLU 612   5.115   0.067  14.342
  350    H    ASP 613           H        ASP 613   1.553  -3.181  15.503
  351    HA   ASP 613           HA       ASP 613   0.443  -4.974  13.488
  352    HB2  ASP 613           1HB      ASP 613  -1.165  -5.550  15.215
  353    HB3  ASP 613           2HB      ASP 613   0.490  -5.662  15.797
  354    H    CYS 614           H        CYS 614  -1.523  -4.859  12.455
  355    HA   CYS 614           HA       CYS 614  -2.463  -2.279  11.663
  356    HB2  CYS 614           1HB      CYS 614  -3.495  -5.098  11.167
  357    HB3  CYS 614           2HB      CYS 614  -4.123  -3.674  10.362
  358    H    ARG 615           H        ARG 615  -4.725  -1.720  11.504
  359    HA   ARG 615           HA       ARG 615  -5.908  -1.190  14.042
  360    HB2  ARG 615           1HB      ARG 615  -7.148  -1.020  11.256
  361    HB3  ARG 615           2HB      ARG 615  -7.764  -0.243  12.721
  362    HG2  ARG 615           1HG      ARG 615  -5.649   1.094  12.879
  363    HG3  ARG 615           2HG      ARG 615  -5.056   0.303  11.411
  364    HD2  ARG 615           1HD      ARG 615  -5.895   2.436  10.770
  365    HD3  ARG 615           2HD      ARG 615  -7.000   1.198  10.147
  366    HE   ARG 615           HE       ARG 615  -7.876   2.181  12.724
  367   HH11  ARG 615          1HH1      ARG 615  -7.814   3.177   9.366
  368   HH12  ARG 615          2HH1      ARG 615  -9.213   4.204   9.550
  369   HH21  ARG 615          1HH2      ARG 615  -9.660   3.507  12.887
  370   HH22  ARG 615          2HH2      ARG 615 -10.217   4.386  11.495
  371    H    ARG 616           H        ARG 616  -6.899  -2.546  15.325
  372    HA   ARG 616           HA       ARG 616  -7.958  -4.371  16.201
  373    HB2  ARG 616           1HB      ARG 616  -9.854  -3.717  13.922
  374    HB3  ARG 616           2HB      ARG 616 -10.170  -5.022  15.050
  375    HG2  ARG 616           1HG      ARG 616 -11.396  -3.139  15.751
  376    HG3  ARG 616           2HG      ARG 616 -10.159  -3.499  16.954
  377    HD2  ARG 616           1HD      ARG 616  -8.820  -1.606  16.225
  378    HD3  ARG 616           2HD      ARG 616  -9.915  -1.305  14.853
  379    HE   ARG 616           HE       ARG 616 -11.542  -1.207  17.109
  380   HH11  ARG 616          1HH1      ARG 616  -8.736   0.642  16.109
  381   HH12  ARG 616          2HH1      ARG 616  -9.250   2.057  16.986
  382   HH21  ARG 616          1HH2      ARG 616 -12.133   0.630  18.194
  383   HH22  ARG 616          2HH2      ARG 616 -11.127   2.047  18.123
  384    H    GLY 617           H        GLY 617  -5.730  -4.923  14.516
  385    HA2  GLY 617           1HA      GLY 617  -6.041  -7.269  12.907
  386    HA3  GLY 617           2HA      GLY 617  -4.550  -6.708  13.664
  Start of MODEL    4
    1    H    THR 566           1H       THR 566  -6.593  -8.501 -16.344
    2    HA   THR 566           HA       THR 566  -3.739  -8.206 -17.002
    3    HB   THR 566           HB       THR 566  -5.363  -6.647 -14.961
    4    HG1  THR 566           1HG      THR 566  -5.033  -4.968 -16.413
    5   HG21  THR 566          1HG2      THR 566  -2.465  -6.384 -15.904
    6   HG22  THR 566          2HG2      THR 566  -3.013  -6.812 -14.261
    7   HG23  THR 566          3HG2      THR 566  -3.325  -5.197 -14.898
    8    H    ASP 567           H        ASP 567  -2.364  -9.393 -15.781
    9    HA   ASP 567           HA       ASP 567  -3.456 -10.923 -13.452
   10    HB2  ASP 567           1HB      ASP 567  -3.088 -12.171 -15.613
   11    HB3  ASP 567           2HB      ASP 567  -1.368 -11.814 -15.467
   12    H    GLU 568           H        GLU 568  -1.639  -8.335 -13.831
   13    HA   GLU 568           HA       GLU 568   0.838  -9.023 -12.470
   14    HB2  GLU 568           1HB      GLU 568  -0.452  -6.315 -12.993
   15    HB3  GLU 568           2HB      GLU 568   1.187  -6.570 -12.405
   16    HG2  GLU 568           1HG      GLU 568   0.086  -7.382 -15.129
   17    HG3  GLU 568           2HG      GLU 568   1.188  -6.055 -14.791
   18    H    ALA 569           H        ALA 569   1.510  -8.495 -10.391
   19    HA   ALA 569           HA       ALA 569  -0.560  -8.274  -8.301
   20    HB1  ALA 569           1HB      ALA 569   1.218  -9.903  -7.946
   21    HB2  ALA 569           2HB      ALA 569   2.459  -8.637  -8.157
   22    HB3  ALA 569           3HB      ALA 569   1.357  -8.566  -6.773
   23    H    LEU 570           H        LEU 570  -1.321  -6.229  -8.640
   24    HA   LEU 570           HA       LEU 570   0.215  -4.118  -7.300
   25    HB2  LEU 570           1HB      LEU 570  -1.160  -3.688  -9.975
   26    HB3  LEU 570           2HB      LEU 570  -0.547  -2.399  -8.940
   27    HG   LEU 570           HG       LEU 570   1.205  -4.562 -10.203
   28   HD11  LEU 570          1HD1      LEU 570   0.165  -3.107 -11.860
   29   HD12  LEU 570          2HD1      LEU 570   1.917  -2.836 -11.726
   30   HD13  LEU 570          3HD1      LEU 570   0.783  -1.680 -10.981
   31   HD21  LEU 570          3HD2      LEU 570   2.177  -3.453  -8.137
   32   HD22  LEU 570          1HD2      LEU 570   1.982  -1.890  -8.962
   33   HD23  LEU 570          2HD2      LEU 570   3.079  -3.121  -9.619
   34    H    LYS 571           H        LYS 571  -0.993  -3.114  -5.859
   35    HA   LYS 571           HA       LYS 571  -3.931  -3.568  -5.763
   36    HB2  LYS 571           1HB      LYS 571  -2.026  -2.528  -3.643
   37    HB3  LYS 571           2HB      LYS 571  -3.758  -2.588  -3.450
   38    HG2  LYS 571           1HG      LYS 571  -3.723  -5.059  -3.843
   39    HG3  LYS 571           2HG      LYS 571  -1.946  -4.997  -3.859
   40    HD2  LYS 571           1HD      LYS 571  -1.905  -4.090  -1.604
   41    HD3  LYS 571           2HD      LYS 571  -3.667  -4.002  -1.530
   42    HE2  LYS 571           1HE      LYS 571  -2.113  -6.596  -1.904
   43    HE3  LYS 571           2HE      LYS 571  -2.593  -5.967  -0.324
   44    HZ1  LYS 571           3HZ      LYS 571  -4.202  -7.568  -1.141
   45    HZ2  LYS 571           1HZ      LYS 571  -4.481  -6.706  -2.496
   46    HZ3  LYS 571           2HZ      LYS 571  -4.914  -6.106  -1.034
   47    HA   PRO 572           HA       PRO 572  -4.774   0.745  -6.691
   48    HB2  PRO 572           1HB      PRO 572  -7.218   1.066  -5.543
   49    HB3  PRO 572           2HB      PRO 572  -6.965   0.108  -7.022
   50    HG2  PRO 572           1HG      PRO 572  -7.224  -0.863  -4.156
   51    HG3  PRO 572           2HG      PRO 572  -7.997  -1.535  -5.626
   52    HD2  PRO 572           1HD      PRO 572  -5.671  -2.553  -4.497
   53    HD3  PRO 572           2HD      PRO 572  -6.034  -2.659  -6.248
   54    H    CYS 573           H        CYS 573  -4.068   2.542  -5.735
   55    HA   CYS 573           HA       CYS 573  -3.263   2.913  -3.080
   56    HB2  CYS 573           1HB      CYS 573  -2.444   4.227  -4.874
   57    HB3  CYS 573           2HB      CYS 573  -4.052   4.692  -5.382
   58    HA   PRO 574           HA       PRO 574  -7.190   3.369  -0.991
   59    HB2  PRO 574           1HB      PRO 574  -6.316   4.287   1.453
   60    HB3  PRO 574           2HB      PRO 574  -6.035   2.616   0.872
   61    HG2  PRO 574           1HG      PRO 574  -4.191   4.997   0.663
   62    HG3  PRO 574           2HG      PRO 574  -3.798   3.355   1.305
   63    HD2  PRO 574           1HD      PRO 574  -3.174   4.045  -1.202
   64    HD3  PRO 574           2HD      PRO 574  -3.804   2.407  -0.830
   65    H    ARG 575           H        ARG 575  -5.198   6.061  -1.867
   66    HA   ARG 575           HA       ARG 575  -7.228   8.103  -1.043
   67    HB2  ARG 575           1HB      ARG 575  -4.450   8.235  -2.241
   68    HB3  ARG 575           2HB      ARG 575  -5.525   9.623  -2.247
   69    HG2  ARG 575           1HG      ARG 575  -5.709   9.473   0.243
   70    HG3  ARG 575           2HG      ARG 575  -4.424   8.238   0.221
   71    HD2  ARG 575           1HD      ARG 575  -2.898   9.800  -0.884
   72    HD3  ARG 575           2HD      ARG 575  -4.180  11.002  -1.066
   73    HE   ARG 575           HE       ARG 575  -4.006  10.528   1.680
   74   HH11  ARG 575          1HH1      ARG 575  -1.776  11.714  -0.761
   75   HH12  ARG 575          2HH1      ARG 575  -0.981  12.784   0.353
   76   HH21  ARG 575          1HH2      ARG 575  -2.949  11.939   3.048
   77   HH22  ARG 575          2HH2      ARG 575  -1.621  12.894   2.457
   78    H    CYS 576           H        CYS 576  -5.673   6.919  -4.033
   79    HA   CYS 576           HA       CYS 576  -7.834   8.251  -5.616
   80    HB2  CYS 576           1HB      CYS 576  -6.230   9.164  -7.064
   81    HB3  CYS 576           2HB      CYS 576  -5.677   9.520  -5.430
   82    H    GLN 577           H        GLN 577  -6.640   5.250  -4.994
   83    HA   GLN 577           HA       GLN 577  -6.833   3.247  -5.908
   84    HB2  GLN 577           1HB      GLN 577  -8.889   4.472  -7.758
   85    HB3  GLN 577           2HB      GLN 577  -8.710   2.762  -7.418
   86    HG2  GLN 577           1HG      GLN 577  -9.361   4.771  -5.214
   87    HG3  GLN 577           2HG      GLN 577 -10.582   4.036  -6.233
   88   HE21  GLN 577          1HE2      GLN 577  -8.047   3.216  -3.781
   89   HE22  GLN 577          2HE2      GLN 577  -8.852   1.715  -3.339
   90    H    SER 578           H        SER 578  -4.958   5.305  -7.363
   91    HA   SER 578           HA       SER 578  -4.396   4.243  -9.933
   92    HB2  SER 578           1HB      SER 578  -3.434   6.320  -8.787
   93    HB3  SER 578           2HB      SER 578  -2.367   5.225  -7.890
   94    HG   SER 578           HG       SER 578  -2.517   5.745 -10.666
   95    HA   PRO 579           HA       PRO 579  -2.702   0.197  -8.735
   96    HB2  PRO 579           1HB      PRO 579  -1.232  -0.460 -10.944
   97    HB3  PRO 579           2HB      PRO 579  -3.013  -0.465 -10.921
   98    HG2  PRO 579           1HG      PRO 579  -1.165   1.746 -11.884
   99    HG3  PRO 579           2HG      PRO 579  -2.575   1.042 -12.744
  100    HD2  PRO 579           1HD      PRO 579  -2.769   3.353 -11.329
  101    HD3  PRO 579           2HD      PRO 579  -4.104   2.166 -11.323
  102    H    ALA 580           H        ALA 580  -1.529   0.912  -7.023
  103    HA   ALA 580           HA       ALA 580   0.884   2.452  -7.131
  104    HB1  ALA 580           1HB      ALA 580   0.815   1.983  -4.652
  105    HB2  ALA 580           2HB      ALA 580  -0.735   2.563  -5.295
  106    HB3  ALA 580           3HB      ALA 580  -0.497   0.837  -4.941
  107    H    LYS 581           H        LYS 581   2.983   1.895  -6.557
  108    HA   LYS 581           HA       LYS 581   4.123  -0.556  -7.520
  109    HB2  LYS 581           1HB      LYS 581   5.162   1.799  -7.234
  110    HB3  LYS 581           2HB      LYS 581   5.423   1.369  -5.549
  111    HG2  LYS 581           1HG      LYS 581   6.546  -0.118  -7.960
  112    HG3  LYS 581           2HG      LYS 581   7.396   1.094  -6.999
  113    HD2  LYS 581           1HD      LYS 581   7.209  -0.383  -4.992
  114    HD3  LYS 581           2HD      LYS 581   6.514  -1.653  -6.035
  115    HE2  LYS 581           1HE      LYS 581   8.533  -1.557  -7.482
  116    HE3  LYS 581           2HE      LYS 581   9.232  -0.322  -6.431
  117    HZ1  LYS 581           3HZ      LYS 581  10.075  -2.537  -5.905
  118    HZ2  LYS 581           1HZ      LYS 581   8.579  -3.096  -5.583
  119    HZ3  LYS 581           2HZ      LYS 581   9.265  -1.951  -4.618
  120    H    TYR 582           H        TYR 582   3.553  -2.414  -6.617
  121    HA   TYR 582           HA       TYR 582   2.820  -2.571  -3.814
  122    HB2  TYR 582           1HB      TYR 582   1.555  -3.588  -5.776
  123    HB3  TYR 582           2HB      TYR 582   2.862  -4.730  -5.936
  124    HD1  TYR 582           2HD      TYR 582   2.060  -3.992  -2.413
  125    HD2  TYR 582           1HD      TYR 582   0.937  -6.297  -5.866
  126    HE1  TYR 582           2HE      TYR 582   1.107  -5.701  -0.940
  127    HE2  TYR 582           1HE      TYR 582  -0.100  -8.020  -4.365
  128    HH   TYR 582           HH       TYR 582  -0.023  -7.717  -0.799
  129    H    GLN 583           H        GLN 583   4.024  -3.347  -2.160
  130    HA   GLN 583           HA       GLN 583   6.471  -4.962  -2.723
  131    HB2  GLN 583           1HB      GLN 583   6.278  -2.880  -0.534
  132    HB3  GLN 583           2HB      GLN 583   7.707  -3.633  -1.222
  133    HG2  GLN 583           1HG      GLN 583   6.844  -2.361  -3.452
  134    HG3  GLN 583           2HG      GLN 583   6.014  -1.351  -2.270
  135   HE21  GLN 583          1HE2      GLN 583   7.278   0.247  -1.201
  136   HE22  GLN 583          2HE2      GLN 583   8.999   0.410  -1.516
  137    HA   PRO 584           HA       PRO 584   3.486  -7.052   0.217
  138    HB2  PRO 584           1HB      PRO 584   3.601  -9.586  -0.902
  139    HB3  PRO 584           2HB      PRO 584   2.487  -8.297  -1.415
  140    HG2  PRO 584           1HG      PRO 584   5.145  -9.049  -2.640
  141    HG3  PRO 584           2HG      PRO 584   3.596  -8.729  -3.479
  142    HD2  PRO 584           1HD      PRO 584   5.532  -6.866  -3.305
  143    HD3  PRO 584           2HD      PRO 584   3.807  -6.421  -3.166
  144    H    HIS 585           H        HIS 585   6.782  -7.799  -0.735
  145    HA   HIS 585           HA       HIS 585   7.406  -9.610   1.457
  146    HB2  HIS 585           1HB      HIS 585   9.704  -9.253   0.734
  147    HB3  HIS 585           2HB      HIS 585   8.663  -9.609  -0.637
  148    HD2  HIS 585           2HD      HIS 585  11.564  -7.809  -0.328
  149    HE1  HIS 585           1HE      HIS 585   9.211  -4.982  -2.479
  150    HE2  HIS 585           2HE      HIS 585  11.580  -5.658  -1.846
  151    H    LYS 586           H        LYS 586   7.214  -6.145   1.111
  152    HA   LYS 586           HA       LYS 586   8.281  -5.676   3.877
  153    HB2  LYS 586           1HB      LYS 586   7.787  -3.781   1.543
  154    HB3  LYS 586           2HB      LYS 586   8.355  -3.294   3.146
  155    HG2  LYS 586           1HG      LYS 586  10.369  -4.709   2.890
  156    HG3  LYS 586           2HG      LYS 586   9.836  -5.191   1.269
  157    HD2  LYS 586           1HD      LYS 586   9.924  -2.847   0.512
  158    HD3  LYS 586           2HD      LYS 586  10.424  -2.334   2.143
  159    HE2  LYS 586           1HE      LYS 586  12.452  -3.751   1.970
  160    HE3  LYS 586           2HE      LYS 586  11.953  -4.288   0.363
  161    HZ1  LYS 586           3HZ      LYS 586  12.614  -1.482   1.096
  162    HZ2  LYS 586           1HZ      LYS 586  12.147  -1.971  -0.395
  163    HZ3  LYS 586           2HZ      LYS 586  13.567  -2.479   0.229
  164    H    LYS 587           H        LYS 587   5.388  -6.147   2.317
  165    HA   LYS 587           HA       LYS 587   3.225  -5.565   2.508
  166    HB2  LYS 587           1HB      LYS 587   3.914  -5.323   5.464
  167    HB3  LYS 587           2HB      LYS 587   2.274  -5.305   4.835
  168    HG2  LYS 587           1HG      LYS 587   4.239  -7.614   4.550
  169    HG3  LYS 587           2HG      LYS 587   2.900  -7.514   5.695
  170    HD2  LYS 587           1HD      LYS 587   1.306  -7.330   3.749
  171    HD3  LYS 587           2HD      LYS 587   2.649  -7.626   2.649
  172    HE2  LYS 587           1HE      LYS 587   1.666  -9.527   4.813
  173    HE3  LYS 587           2HE      LYS 587   1.305  -9.633   3.091
  174    HZ1  LYS 587           3HZ      LYS 587   3.788  -9.784   2.733
  175    HZ2  LYS 587           1HZ      LYS 587   3.146 -11.080   3.515
  176    HZ3  LYS 587           2HZ      LYS 587   3.980  -9.950   4.344
  177    H    ARG 588           H        ARG 588   4.738  -3.664   1.487
  178    HA   ARG 588           HA       ARG 588   3.524  -1.084   2.430
  179    HB2  ARG 588           1HB      ARG 588   6.021  -1.431   2.828
  180    HB3  ARG 588           2HB      ARG 588   6.240  -1.389   1.085
  181    HG2  ARG 588           1HG      ARG 588   5.330   0.912   1.037
  182    HG3  ARG 588           2HG      ARG 588   5.013   0.834   2.771
  183    HD2  ARG 588           1HD      ARG 588   7.509   0.418   3.078
  184    HD3  ARG 588           2HD      ARG 588   7.715   0.718   1.355
  185    HE   ARG 588           HE       ARG 588   6.246   2.881   2.573
  186   HH11  ARG 588          1HH1      ARG 588   9.553   1.686   2.388
  187   HH12  ARG 588          2HH1      ARG 588  10.223   3.220   2.873
  188   HH21  ARG 588          1HH2      ARG 588   7.156   4.735   3.293
  189   HH22  ARG 588          2HH2      ARG 588   8.900   4.923   3.336
  190    H    GLY 589           H        GLY 589   2.763   0.337   0.882
  191    HA2  GLY 589           1HA      GLY 589   3.002  -0.406  -2.001
  192    HA3  GLY 589           2HA      GLY 589   1.411  -0.113  -1.300
  193    H    LEU 590           H        LEU 590   3.483   1.308  -3.256
  194    HA   LEU 590           HA       LEU 590   3.231   4.064  -2.105
  195    HB2  LEU 590           1HB      LEU 590   5.429   2.918  -3.864
  196    HB3  LEU 590           2HB      LEU 590   5.242   4.621  -3.468
  197    HG   LEU 590           HG       LEU 590   5.866   2.374  -1.512
  198   HD11  LEU 590          1HD1      LEU 590   7.746   3.122  -2.938
  199   HD12  LEU 590          2HD1      LEU 590   7.988   3.566  -1.239
  200   HD13  LEU 590          3HD1      LEU 590   7.474   4.800  -2.411
  201   HD21  LEU 590          3HD2      LEU 590   5.163   5.302  -1.056
  202   HD22  LEU 590          1HD2      LEU 590   6.173   4.362   0.096
  203   HD23  LEU 590          2HD2      LEU 590   4.537   3.839  -0.272
  204    H    CYS 591           H        CYS 591   2.005   5.444  -3.161
  205    HA   CYS 591           HA       CYS 591   0.489   4.666  -5.380
  206    HB2  CYS 591           1HB      CYS 591  -0.083   6.430  -3.703
  207    HB3  CYS 591           2HB      CYS 591   1.059   7.519  -4.553
  208    H    SER 592           H        SER 592   0.472   5.051  -7.489
  209    HA   SER 592           HA       SER 592   3.022   5.678  -8.851
  210    HB2  SER 592           1HB      SER 592   0.423   4.453  -9.818
  211    HB3  SER 592           2HB      SER 592   1.833   4.760 -10.850
  212    HG   SER 592           HG       SER 592   1.531   2.603  -9.675
  213    H    ARG 593           H        ARG 593   0.292   7.453  -7.923
  214    HA   ARG 593           HA       ARG 593   0.507   9.421 -10.142
  215    HB2  ARG 593           1HB      ARG 593  -1.709   8.712  -9.404
  216    HB3  ARG 593           2HB      ARG 593  -1.360   9.198  -7.746
  217    HG2  ARG 593           1HG      ARG 593  -1.055  11.571  -8.548
  218    HG3  ARG 593           2HG      ARG 593  -1.444  11.015 -10.157
  219    HD2  ARG 593           1HD      ARG 593  -3.190  11.608  -7.829
  220    HD3  ARG 593           2HD      ARG 593  -3.513  11.848  -9.533
  221    HE   ARG 593           HE       ARG 593  -4.034   9.435  -7.876
  222   HH11  ARG 593          1HH1      ARG 593  -4.170  10.641 -11.176
  223   HH12  ARG 593          2HH1      ARG 593  -5.217   9.337 -11.667
  224   HH21  ARG 593          1HH2      ARG 593  -5.305   7.923  -8.507
  225   HH22  ARG 593          2HH2      ARG 593  -5.899   7.819 -10.156
  226    H    LEU 594           H        LEU 594   1.961  11.003  -9.974
  227    HA   LEU 594           HA       LEU 594   3.580  11.370  -7.647
  228    HB2  LEU 594           1HB      LEU 594   3.276  13.135 -10.110
  229    HB3  LEU 594           2HB      LEU 594   4.579  13.247  -8.931
  230    HG   LEU 594           HG       LEU 594   4.045  10.862 -10.757
  231   HD11  LEU 594          1HD1      LEU 594   6.271  12.940 -10.758
  232   HD12  LEU 594          2HD1      LEU 594   4.925  12.854 -11.917
  233   HD13  LEU 594          3HD1      LEU 594   6.123  11.553 -11.860
  234   HD21  LEU 594          3HD2      LEU 594   5.068  10.065  -8.679
  235   HD22  LEU 594          1HD2      LEU 594   6.295  11.352  -8.758
  236   HD23  LEU 594          2HD2      LEU 594   6.266  10.054  -9.972
  237    H    ALA 595           H        ALA 595   0.725  13.176  -8.712
  238    HA   ALA 595           HA       ALA 595   1.018  15.329  -6.802
  239    HB1  ALA 595           1HB      ALA 595  -0.249  15.526  -8.911
  240    HB2  ALA 595           2HB      ALA 595  -1.420  14.318  -8.329
  241    HB3  ALA 595           3HB      ALA 595  -1.271  15.885  -7.508
  242    H    CYS 596           H        CYS 596  -0.246  12.097  -6.545
  243    HA   CYS 596           HA       CYS 596  -1.723  12.529  -4.021
  244    HB2  CYS 596           1HB      CYS 596  -2.647  11.137  -5.760
  245    HB3  CYS 596           2HB      CYS 596  -1.154  10.204  -5.869
  246    H    GLY 597           H        GLY 597   0.919  10.443  -5.179
  247    HA2  GLY 597           1HA      GLY 597   2.845   9.605  -4.207
  248    HA3  GLY 597           2HA      GLY 597   2.966  11.217  -3.495
  249    H    PHE 598           H        PHE 598   1.088   8.182  -2.890
  250    HA   PHE 598           HA       PHE 598   1.156   8.801   0.007
  251    HB2  PHE 598           1HB      PHE 598  -1.041   8.731  -1.210
  252    HB3  PHE 598           2HB      PHE 598  -0.825   7.009  -1.462
  253    HD1  PHE 598           1HD      PHE 598  -0.628   9.565   1.333
  254    HD2  PHE 598           2HD      PHE 598  -1.817   5.602   0.167
  255    HE1  PHE 598           1HE      PHE 598  -1.639   9.218   3.578
  256    HE2  PHE 598           2HE      PHE 598  -2.819   5.258   2.441
  257    HZ   PHE 598           HZ       PHE 598  -2.783   7.042   4.106
  258    H    ASP 599           H        ASP 599   1.326   7.111   1.519
  259    HA   ASP 599           HA       ASP 599   2.885   4.723   0.656
  260    HB2  ASP 599           1HB      ASP 599   4.426   6.506   1.345
  261    HB3  ASP 599           2HB      ASP 599   3.530   6.739   2.846
  262    H    PHE 600           H        PHE 600   1.569   3.079   1.133
  263    HA   PHE 600           HA       PHE 600   0.002   3.198   3.666
  264    HB2  PHE 600           1HB      PHE 600  -1.891   2.312   2.543
  265    HB3  PHE 600           2HB      PHE 600  -1.337   3.763   1.746
  266    HD1  PHE 600           1HD      PHE 600  -0.384   3.711  -0.534
  267    HD2  PHE 600           2HD      PHE 600  -1.887   0.166   1.401
  268    HE1  PHE 600           1HE      PHE 600  -0.591   2.596  -2.732
  269    HE2  PHE 600           2HE      PHE 600  -2.096  -0.955  -0.799
  270    HZ   PHE 600           HZ       PHE 600  -1.453   0.256  -2.876
  271    H    CYS 601           H        CYS 601  -0.751   1.388   4.599
  272    HA   CYS 601           HA       CYS 601   0.940  -1.015   4.537
  273    HB2  CYS 601           1HB      CYS 601   0.193  -0.078   6.671
  274    HB3  CYS 601           2HB      CYS 601  -1.492  -0.131   6.129
  275    H    VAL 602           H        VAL 602   0.499  -2.686   3.261
  276    HA   VAL 602           HA       VAL 602  -1.843  -2.653   1.521
  277    HB   VAL 602           HB       VAL 602  -0.844  -4.540   0.385
  278   HG11  VAL 602          1HG1      VAL 602   1.222  -2.440   1.131
  279   HG12  VAL 602          2HG1      VAL 602   1.261  -3.476  -0.300
  280   HG13  VAL 602          3HG1      VAL 602  -0.025  -2.282  -0.121
  281   HG21  VAL 602          3HG2      VAL 602   1.020  -4.652   2.767
  282   HG22  VAL 602          1HG2      VAL 602   0.038  -5.944   2.065
  283   HG23  VAL 602          2HG2      VAL 602   1.458  -5.337   1.192
  284    H    LEU 603           H        LEU 603  -1.535  -3.793   4.616
  285    HA   LEU 603           HA       LEU 603  -3.374  -6.110   4.271
  286    HB2  LEU 603           1HB      LEU 603  -1.792  -5.088   6.636
  287    HB3  LEU 603           2HB      LEU 603  -2.863  -6.483   6.682
  288    HG   LEU 603           HG       LEU 603  -0.342  -6.228   4.984
  289   HD11  LEU 603          1HD1      LEU 603   0.562  -7.937   6.507
  290   HD12  LEU 603          2HD1      LEU 603  -0.947  -7.914   7.447
  291   HD13  LEU 603          3HD1      LEU 603   0.097  -6.477   7.394
  292   HD21  LEU 603          3HD2      LEU 603  -2.290  -8.550   5.337
  293   HD22  LEU 603          1HD2      LEU 603  -0.685  -8.697   4.599
  294   HD23  LEU 603          2HD2      LEU 603  -1.910  -7.693   3.824
  295    H    CYS 604           H        CYS 604  -3.312  -2.846   5.716
  296    HA   CYS 604           HA       CYS 604  -6.227  -3.103   6.267
  297    HB2  CYS 604           1HB      CYS 604  -5.997  -1.748   8.230
  298    HB3  CYS 604           2HB      CYS 604  -5.157  -3.288   8.362
  299    H    LEU 605           H        LEU 605  -4.131  -1.476   4.353
  300    HA   LEU 605           HA       LEU 605  -4.287   0.302   2.977
  301    HB2  LEU 605           1HB      LEU 605  -7.242  -0.275   3.326
  302    HB3  LEU 605           2HB      LEU 605  -6.620   0.842   2.128
  303    HG   LEU 605           HG       LEU 605  -5.902  -2.115   2.238
  304   HD11  LEU 605          1HD1      LEU 605  -7.741  -0.567   0.363
  305   HD12  LEU 605          2HD1      LEU 605  -8.263  -1.700   1.631
  306   HD13  LEU 605          3HD1      LEU 605  -7.330  -2.293   0.247
  307   HD21  LEU 605          3HD2      LEU 605  -5.043  -1.662  -0.090
  308   HD22  LEU 605          1HD2      LEU 605  -4.098  -0.873   1.170
  309   HD23  LEU 605          2HD2      LEU 605  -5.255   0.079   0.211
  310    H    CYS 606           H        CYS 606  -3.928   0.948   5.694
  311    HA   CYS 606           HA       CYS 606  -4.831   3.814   5.743
  312    HB2  CYS 606           1HB      CYS 606  -3.734   2.019   7.962
  313    HB3  CYS 606           2HB      CYS 606  -4.173   3.723   8.147
  314    HG   CYS 606           HG       CYS 606  -6.138   1.229   7.154
  315    H    ALA 607           H        ALA 607  -3.035   5.233   6.784
  316    HA   ALA 607           HA       ALA 607  -0.732   5.310   5.134
  317    HB1  ALA 607           1HB      ALA 607  -1.579   7.248   6.400
  318    HB2  ALA 607           2HB      ALA 607  -1.149   6.449   7.933
  319    HB3  ALA 607           3HB      ALA 607   0.122   6.928   6.788
  320    H    TYR 608           H        TYR 608   1.264   4.438   5.252
  321    HA   TYR 608           HA       TYR 608   1.509   1.888   6.318
  322    HB2  TYR 608           1HB      TYR 608   2.700   2.721   4.370
  323    HB3  TYR 608           2HB      TYR 608   3.630   3.827   5.365
  324    HD1  TYR 608           2HD      TYR 608   2.831   0.113   5.344
  325    HD2  TYR 608           1HD      TYR 608   5.835   3.205   5.630
  326    HE1  TYR 608           2HE      TYR 608   4.620  -1.619   5.340
  327    HE2  TYR 608           1HE      TYR 608   7.615   1.474   5.596
  328    HH   TYR 608           HH       TYR 608   8.040  -0.679   5.003
  329    H    HIS 609           H        HIS 609   2.207   0.964   8.103
  330    HA   HIS 609           HA       HIS 609   3.397   2.625  10.266
  331    HB2  HIS 609           1HB      HIS 609   1.883   1.554  11.831
  332    HB3  HIS 609           2HB      HIS 609   0.997   2.365  10.551
  333    HD1  HIS 609           1HD      HIS 609   2.069  -1.254  11.464
  334    HD2  HIS 609           2HD      HIS 609  -0.813   0.918   9.304
  335    HE1  HIS 609           1HE      HIS 609   0.369  -2.952  10.696
  336    H    GLY 610           H        GLY 610   4.659   0.630   8.367
  337    HA2  GLY 610           1HA      GLY 610   6.358  -0.936   8.440
  338    HA3  GLY 610           2HA      GLY 610   6.758  -0.140   9.957
  339    H    SER 611           H        SER 611   6.971  -1.469  11.619
  340    HA   SER 611           HA       SER 611   5.973  -4.249  11.539
  341    HB2  SER 611           1HB      SER 611   7.500  -4.542  13.465
  342    HB3  SER 611           2HB      SER 611   8.301  -3.894  12.027
  343    HG   SER 611           HG       SER 611   8.895  -2.767  13.951
  344    H    GLU 612           H        GLU 612   4.554  -1.441  12.708
  345    HA   GLU 612           HA       GLU 612   3.512  -2.469  15.238
  346    HB2  GLU 612           1HB      GLU 612   2.534  -0.166  13.506
  347    HB3  GLU 612           2HB      GLU 612   1.996  -0.541  15.142
  348    HG2  GLU 612           1HG      GLU 612   4.351  -0.253  15.958
  349    HG3  GLU 612           2HG      GLU 612   4.821   0.274  14.342
  350    H    ASP 613           H        ASP 613   1.072  -2.651  15.584
  351    HA   ASP 613           HA       ASP 613   0.054  -4.736  13.823
  352    HB2  ASP 613           1HB      ASP 613  -1.112  -3.417  16.298
  353    HB3  ASP 613           2HB      ASP 613  -1.851  -4.766  15.438
  354    H    CYS 614           H        CYS 614  -1.710  -4.758  12.517
  355    HA   CYS 614           HA       CYS 614  -2.673  -2.337  11.296
  356    HB2  CYS 614           1HB      CYS 614  -3.378  -5.288  11.086
  357    HB3  CYS 614           2HB      CYS 614  -4.168  -4.065  10.107
  358    H    ARG 615           H        ARG 615  -4.994  -2.034  10.847
  359    HA   ARG 615           HA       ARG 615  -6.598  -2.052  13.379
  360    HB2  ARG 615           1HB      ARG 615  -6.745  -0.040  11.104
  361    HB3  ARG 615           2HB      ARG 615  -7.593   0.025  12.657
  362    HG2  ARG 615           1HG      ARG 615  -5.267   0.033  13.765
  363    HG3  ARG 615           2HG      ARG 615  -4.599   0.331  12.157
  364    HD2  ARG 615           1HD      ARG 615  -6.611   2.072  13.644
  365    HD3  ARG 615           2HD      ARG 615  -4.885   2.414  13.439
  366    HE   ARG 615           HE       ARG 615  -5.950   2.116  10.845
  367   HH11  ARG 615          1HH1      ARG 615  -6.344   4.369  13.501
  368   HH12  ARG 615          2HH1      ARG 615  -6.833   5.670  12.449
  369   HH21  ARG 615          1HH2      ARG 615  -6.617   3.808   9.565
  370   HH22  ARG 615          2HH2      ARG 615  -6.974   5.356  10.280
  371    H    ARG 616           H        ARG 616  -8.863  -2.187  13.250
  372    HA   ARG 616           HA       ARG 616  -9.826  -4.190  11.362
  373    HB2  ARG 616           1HB      ARG 616 -11.850  -4.215  12.664
  374    HB3  ARG 616           2HB      ARG 616 -10.452  -4.250  13.734
  375    HG2  ARG 616           1HG      ARG 616 -10.760  -1.810  14.200
  376    HG3  ARG 616           2HG      ARG 616 -12.178  -1.799  13.131
  377    HD2  ARG 616           1HD      ARG 616 -13.278  -3.482  14.572
  378    HD3  ARG 616           2HD      ARG 616 -11.863  -3.487  15.645
  379    HE   ARG 616           HE       ARG 616 -12.772  -0.806  15.390
  380   HH11  ARG 616          1HH1      ARG 616 -13.916  -3.775  16.856
  381   HH12  ARG 616          2HH1      ARG 616 -14.844  -2.928  18.064
  382   HH21  ARG 616          1HH2      ARG 616 -13.975   0.211  16.959
  383   HH22  ARG 616          2HH2      ARG 616 -14.870  -0.730  18.116
  384    H    GLY 617           H        GLY 617 -11.733  -4.062  10.107
  385    HA2  GLY 617           1HA      GLY 617 -11.896  -1.786   8.315
  386    HA3  GLY 617           2HA      GLY 617 -12.921  -3.220   8.297
  Start of MODEL    5
    1    H    THR 566           1H       THR 566   1.655 -16.388 -15.872
    2    HA   THR 566           HA       THR 566  -0.137 -17.616 -13.890
    3    HB   THR 566           HB       THR 566   1.645 -16.733 -12.280
    4    HG1  THR 566           1HG      THR 566   3.677 -16.473 -13.162
    5   HG21  THR 566          1HG2      THR 566   2.530 -18.967 -14.159
    6   HG22  THR 566          2HG2      THR 566   1.379 -19.150 -12.814
    7   HG23  THR 566          3HG2      THR 566   3.056 -18.692 -12.486
    8    H    ASP 567           H        ASP 567  -0.768 -16.150 -12.128
    9    HA   ASP 567           HA       ASP 567  -1.764 -13.619 -13.167
   10    HB2  ASP 567           1HB      ASP 567  -2.954 -13.495 -11.074
   11    HB3  ASP 567           2HB      ASP 567  -3.140 -15.093 -11.784
   12    H    GLU 568           H        GLU 568  -1.622 -11.612 -11.927
   13    HA   GLU 568           HA       GLU 568   0.992 -11.095 -10.576
   14    HB2  GLU 568           1HB      GLU 568  -0.277  -9.421 -12.784
   15    HB3  GLU 568           2HB      GLU 568   1.107  -8.935 -11.798
   16    HG2  GLU 568           1HG      GLU 568   2.385 -10.910 -12.633
   17    HG3  GLU 568           2HG      GLU 568   1.037 -11.314 -13.701
   18    H    ALA 569           H        ALA 569   0.971  -8.926  -9.424
   19    HA   ALA 569           HA       ALA 569  -1.666  -8.125  -8.377
   20    HB1  ALA 569           1HB      ALA 569   0.646  -9.102  -6.651
   21    HB2  ALA 569           2HB      ALA 569  -0.823  -8.310  -6.059
   22    HB3  ALA 569           3HB      ALA 569  -0.935  -9.902  -6.849
   23    H    LEU 570           H        LEU 570  -1.760  -6.097  -8.457
   24    HA   LEU 570           HA       LEU 570   0.241  -4.304  -7.275
   25    HB2  LEU 570           1HB      LEU 570  -0.896  -3.916 -10.078
   26    HB3  LEU 570           2HB      LEU 570  -0.141  -2.629  -9.141
   27    HG   LEU 570           HG       LEU 570   1.283  -5.179 -10.039
   28   HD11  LEU 570          1HD1      LEU 570   1.459  -2.337 -11.054
   29   HD12  LEU 570          2HD1      LEU 570   0.687  -3.713 -11.893
   30   HD13  LEU 570          3HD1      LEU 570   2.438  -3.729 -11.591
   31   HD21  LEU 570          3HD2      LEU 570   3.338  -3.934  -9.407
   32   HD22  LEU 570          1HD2      LEU 570   2.300  -4.212  -8.011
   33   HD23  LEU 570          2HD2      LEU 570   2.330  -2.606  -8.782
   34    H    LYS 571           H        LYS 571  -0.952  -3.467  -5.632
   35    HA   LYS 571           HA       LYS 571  -3.842  -3.540  -5.786
   36    HB2  LYS 571           1HB      LYS 571  -2.161  -2.370  -3.546
   37    HB3  LYS 571           2HB      LYS 571  -3.865  -2.768  -3.493
   38    HG2  LYS 571           1HG      LYS 571  -3.090  -5.201  -4.147
   39    HG3  LYS 571           2HG      LYS 571  -1.505  -4.656  -3.570
   40    HD2  LYS 571           1HD      LYS 571  -2.620  -4.007  -1.381
   41    HD3  LYS 571           2HD      LYS 571  -4.133  -4.684  -2.017
   42    HE2  LYS 571           1HE      LYS 571  -2.777  -6.855  -2.432
   43    HE3  LYS 571           2HE      LYS 571  -1.535  -6.149  -1.404
   44    HZ1  LYS 571           3HZ      LYS 571  -3.248  -5.981   0.378
   45    HZ2  LYS 571           1HZ      LYS 571  -3.028  -7.530  -0.104
   46    HZ3  LYS 571           2HZ      LYS 571  -4.344  -6.703  -0.597
   47    HA   PRO 572           HA       PRO 572  -4.603   0.711  -6.928
   48    HB2  PRO 572           1HB      PRO 572  -7.116   1.097  -5.925
   49    HB3  PRO 572           2HB      PRO 572  -6.781   0.124  -7.373
   50    HG2  PRO 572           1HG      PRO 572  -7.244  -0.803  -4.521
   51    HG3  PRO 572           2HG      PRO 572  -7.903  -1.505  -6.031
   52    HD2  PRO 572           1HD      PRO 572  -5.691  -2.510  -4.702
   53    HD3  PRO 572           2HD      PRO 572  -5.897  -2.646  -6.475
   54    H    CYS 573           H        CYS 573  -4.004   2.557  -6.040
   55    HA   CYS 573           HA       CYS 573  -3.276   3.075  -3.402
   56    HB2  CYS 573           1HB      CYS 573  -2.483   4.297  -5.284
   57    HB3  CYS 573           2HB      CYS 573  -4.101   4.718  -5.790
   58    HA   PRO 574           HA       PRO 574  -7.291   3.521  -1.435
   59    HB2  PRO 574           1HB      PRO 574  -6.471   4.522   1.004
   60    HB3  PRO 574           2HB      PRO 574  -6.196   2.830   0.479
   61    HG2  PRO 574           1HG      PRO 574  -4.331   5.189   0.247
   62    HG3  PRO 574           2HG      PRO 574  -3.964   3.568   0.955
   63    HD2  PRO 574           1HD      PRO 574  -3.270   4.180  -1.552
   64    HD3  PRO 574           2HD      PRO 574  -3.916   2.554  -1.151
   65    H    ARG 575           H        ARG 575  -5.311   6.140  -2.430
   66    HA   ARG 575           HA       ARG 575  -7.287   8.246  -1.634
   67    HB2  ARG 575           1HB      ARG 575  -4.526   8.454  -2.790
   68    HB3  ARG 575           2HB      ARG 575  -5.611   9.808  -2.423
   69    HG2  ARG 575           1HG      ARG 575  -5.700   8.829   0.006
   70    HG3  ARG 575           2HG      ARG 575  -4.294   7.867  -0.495
   71    HD2  ARG 575           1HD      ARG 575  -3.259   9.777   0.361
   72    HD3  ARG 575           2HD      ARG 575  -3.362  10.121  -1.368
   73    HE   ARG 575           HE       ARG 575  -4.879  11.837  -0.955
   74   HH11  ARG 575          1HH1      ARG 575  -4.461  10.066   2.038
   75   HH12  ARG 575          2HH1      ARG 575  -5.310  11.265   2.976
   76   HH21  ARG 575          1HH2      ARG 575  -5.960  13.324   0.297
   77   HH22  ARG 575          2HH2      ARG 575  -6.132  13.060   2.007
   78    H    CYS 576           H        CYS 576  -5.655   6.998  -4.568
   79    HA   CYS 576           HA       CYS 576  -7.744   8.345  -6.221
   80    HB2  CYS 576           1HB      CYS 576  -6.127   9.128  -7.722
   81    HB3  CYS 576           2HB      CYS 576  -5.619   9.593  -6.094
   82    H    GLN 577           H        GLN 577  -6.637   5.336  -5.474
   83    HA   GLN 577           HA       GLN 577  -6.866   3.296  -6.317
   84    HB2  GLN 577           1HB      GLN 577  -8.928   4.502  -8.173
   85    HB3  GLN 577           2HB      GLN 577  -8.746   2.792  -7.828
   86    HG2  GLN 577           1HG      GLN 577  -9.355   4.802  -5.616
   87    HG3  GLN 577           2HG      GLN 577 -10.599   4.078  -6.617
   88   HE21  GLN 577          1HE2      GLN 577  -8.036   3.243  -4.208
   89   HE22  GLN 577          2HE2      GLN 577  -8.830   1.736  -3.764
   90    H    SER 578           H        SER 578  -5.000   5.301  -7.814
   91    HA   SER 578           HA       SER 578  -4.445   4.058 -10.353
   92    HB2  SER 578           1HB      SER 578  -2.539   5.492  -8.456
   93    HB3  SER 578           2HB      SER 578  -2.255   5.145 -10.166
   94    HG   SER 578           HG       SER 578  -3.917   7.042  -8.958
   95    HA   PRO 579           HA       PRO 579  -2.411   0.300  -8.862
   96    HB2  PRO 579           1HB      PRO 579  -0.567  -0.196 -10.840
   97    HB3  PRO 579           2HB      PRO 579  -2.312  -0.524 -11.012
   98    HG2  PRO 579           1HG      PRO 579  -0.754   1.920 -11.908
   99    HG3  PRO 579           2HG      PRO 579  -1.944   0.973 -12.863
  100    HD2  PRO 579           1HD      PRO 579  -2.630   3.288 -11.621
  101    HD3  PRO 579           2HD      PRO 579  -3.765   1.898 -11.643
  102    H    ALA 580           H        ALA 580  -1.249   0.586  -7.158
  103    HA   ALA 580           HA       ALA 580   1.080   2.374  -6.996
  104    HB1  ALA 580           1HB      ALA 580  -0.233   0.524  -4.971
  105    HB2  ALA 580           2HB      ALA 580   1.028   1.712  -4.608
  106    HB3  ALA 580           3HB      ALA 580  -0.558   2.265  -5.179
  107    H    LYS 581           H        LYS 581   3.194   1.739  -6.533
  108    HA   LYS 581           HA       LYS 581   4.219  -0.768  -7.590
  109    HB2  LYS 581           1HB      LYS 581   5.477   1.433  -7.481
  110    HB3  LYS 581           2HB      LYS 581   5.600   1.211  -5.722
  111    HG2  LYS 581           1HG      LYS 581   6.827  -0.904  -6.050
  112    HG3  LYS 581           2HG      LYS 581   6.661  -0.741  -7.810
  113    HD2  LYS 581           1HD      LYS 581   7.964   1.365  -7.748
  114    HD3  LYS 581           2HD      LYS 581   8.124   1.223  -5.983
  115    HE2  LYS 581           1HE      LYS 581   9.322  -0.928  -6.256
  116    HE3  LYS 581           2HE      LYS 581   9.130  -0.827  -8.011
  117    HZ1  LYS 581           3HZ      LYS 581  10.665   1.110  -6.358
  118    HZ2  LYS 581           1HZ      LYS 581  10.486   1.199  -7.980
  119    HZ3  LYS 581           2HZ      LYS 581  11.317  -0.036  -7.317
  120    H    TYR 582           H        TYR 582   3.609  -2.577  -6.634
  121    HA   TYR 582           HA       TYR 582   2.880  -2.670  -3.832
  122    HB2  TYR 582           1HB      TYR 582   1.602  -3.789  -5.679
  123    HB3  TYR 582           2HB      TYR 582   2.991  -4.830  -5.942
  124    HD1  TYR 582           2HD      TYR 582   1.701  -3.921  -2.539
  125    HD2  TYR 582           1HD      TYR 582   1.869  -6.844  -5.699
  126    HE1  TYR 582           2HE      TYR 582   0.814  -5.640  -0.991
  127    HE2  TYR 582           1HE      TYR 582   0.905  -8.563  -4.155
  128    HH   TYR 582           HH       TYR 582   0.087  -8.983  -2.040
  129    H    GLN 583           H        GLN 583   4.004  -3.445  -2.152
  130    HA   GLN 583           HA       GLN 583   6.593  -4.870  -2.598
  131    HB2  GLN 583           1HB      GLN 583   6.073  -2.896  -0.378
  132    HB3  GLN 583           2HB      GLN 583   7.609  -3.518  -0.961
  133    HG2  GLN 583           1HG      GLN 583   7.141  -2.166  -3.133
  134    HG3  GLN 583           2HG      GLN 583   5.781  -1.450  -2.269
  135   HE21  GLN 583          1HE2      GLN 583   7.424   0.388  -3.117
  136   HE22  GLN 583          2HE2      GLN 583   8.475   0.964  -1.827
  137    HA   PRO 584           HA       PRO 584   3.563  -7.257   0.072
  138    HB2  PRO 584           1HB      PRO 584   4.127  -9.778  -0.945
  139    HB3  PRO 584           2HB      PRO 584   2.923  -8.654  -1.621
  140    HG2  PRO 584           1HG      PRO 584   5.780  -9.077  -2.523
  141    HG3  PRO 584           2HG      PRO 584   4.302  -8.974  -3.533
  142    HD2  PRO 584           1HD      PRO 584   5.935  -6.857  -3.220
  143    HD3  PRO 584           2HD      PRO 584   4.160  -6.640  -3.246
  144    H    HIS 585           H        HIS 585   6.995  -7.757  -0.587
  145    HA   HIS 585           HA       HIS 585   7.625  -9.373   1.733
  146    HB2  HIS 585           1HB      HIS 585   9.927  -8.866   1.112
  147    HB3  HIS 585           2HB      HIS 585   8.994  -9.357  -0.294
  148    HD2  HIS 585           2HD      HIS 585  11.720  -7.303   0.104
  149    HE1  HIS 585           1HE      HIS 585   9.270  -4.769  -2.292
  150    HE2  HIS 585           2HE      HIS 585  11.643  -5.207  -1.491
  151    H    LYS 586           H        LYS 586   7.044  -5.986   1.298
  152    HA   LYS 586           HA       LYS 586   7.953  -5.372   4.097
  153    HB2  LYS 586           1HB      LYS 586   7.720  -3.554   1.661
  154    HB3  LYS 586           2HB      LYS 586   8.111  -3.012   3.298
  155    HG2  LYS 586           1HG      LYS 586  10.133  -4.448   3.310
  156    HG3  LYS 586           2HG      LYS 586   9.786  -4.948   1.644
  157    HD2  LYS 586           1HD      LYS 586   9.968  -2.611   0.877
  158    HD3  LYS 586           2HD      LYS 586  10.281  -2.078   2.546
  159    HE2  LYS 586           1HE      LYS 586  12.309  -3.519   2.615
  160    HE3  LYS 586           2HE      LYS 586  11.997  -4.041   0.956
  161    HZ1  LYS 586           3HZ      LYS 586  12.274  -1.712   0.252
  162    HZ2  LYS 586           1HZ      LYS 586  13.618  -2.237   1.016
  163    HZ3  LYS 586           2HZ      LYS 586  12.580  -1.246   1.789
  164    H    LYS 587           H        LYS 587   5.246  -6.154   2.524
  165    HA   LYS 587           HA       LYS 587   3.054  -5.587   2.404
  166    HB2  LYS 587           1HB      LYS 587   3.631  -5.416   5.379
  167    HB3  LYS 587           2HB      LYS 587   1.991  -5.219   4.742
  168    HG2  LYS 587           1HG      LYS 587   2.106  -7.371   3.590
  169    HG3  LYS 587           2HG      LYS 587   3.760  -7.633   4.177
  170    HD2  LYS 587           1HD      LYS 587   3.023  -7.826   6.457
  171    HD3  LYS 587           2HD      LYS 587   1.436  -7.159   6.069
  172    HE2  LYS 587           1HE      LYS 587   1.196  -9.541   6.372
  173    HE3  LYS 587           2HE      LYS 587   0.894  -9.128   4.685
  174    HZ1  LYS 587           3HZ      LYS 587   2.327 -11.092   4.902
  175    HZ2  LYS 587           1HZ      LYS 587   3.444 -10.254   5.741
  176    HZ3  LYS 587           2HZ      LYS 587   3.163  -9.899   4.168
  177    H    ARG 588           H        ARG 588   4.461  -3.635   1.400
  178    HA   ARG 588           HA       ARG 588   3.136  -1.081   2.257
  179    HB2  ARG 588           1HB      ARG 588   5.586  -1.408   2.836
  180    HB3  ARG 588           2HB      ARG 588   5.945  -1.381   1.125
  181    HG2  ARG 588           1HG      ARG 588   5.192   0.918   0.948
  182    HG3  ARG 588           2HG      ARG 588   4.563   0.886   2.610
  183    HD2  ARG 588           1HD      ARG 588   6.881   0.390   3.423
  184    HD3  ARG 588           2HD      ARG 588   7.479   0.499   1.796
  185    HE   ARG 588           HE       ARG 588   5.986   2.882   2.602
  186   HH11  ARG 588          1HH1      ARG 588   9.153   1.410   3.004
  187   HH12  ARG 588          2HH1      ARG 588   9.874   2.902   3.547
  188   HH21  ARG 588          1HH2      ARG 588   6.930   4.688   3.394
  189   HH22  ARG 588          2HH2      ARG 588   8.651   4.735   3.724
  190    H    GLY 589           H        GLY 589   2.508   0.362   0.661
  191    HA2  GLY 589           1HA      GLY 589   2.900  -0.414  -2.195
  192    HA3  GLY 589           2HA      GLY 589   1.273  -0.096  -1.601
  193    H    LEU 590           H        LEU 590   3.510   1.264  -3.418
  194    HA   LEU 590           HA       LEU 590   3.171   4.047  -2.365
  195    HB2  LEU 590           1HB      LEU 590   5.449   2.890  -4.007
  196    HB3  LEU 590           2HB      LEU 590   5.221   4.597  -3.644
  197    HG   LEU 590           HG       LEU 590   5.833   2.383  -1.650
  198   HD11  LEU 590          1HD1      LEU 590   7.728   3.239  -3.018
  199   HD12  LEU 590          2HD1      LEU 590   7.895   3.651  -1.301
  200   HD13  LEU 590          3HD1      LEU 590   7.367   4.888  -2.464
  201   HD21  LEU 590          3HD2      LEU 590   4.988   5.274  -1.213
  202   HD22  LEU 590          1HD2      LEU 590   5.999   4.377  -0.028
  203   HD23  LEU 590          2HD2      LEU 590   4.404   3.779  -0.449
  204    H    CYS 591           H        CYS 591   1.845   5.285  -3.490
  205    HA   CYS 591           HA       CYS 591   0.599   4.502  -5.887
  206    HB2  CYS 591           1HB      CYS 591  -0.195   6.167  -4.182
  207    HB3  CYS 591           2HB      CYS 591   0.978   7.322  -4.876
  208    H    SER 592           H        SER 592   0.971   4.783  -8.011
  209    HA   SER 592           HA       SER 592   3.635   5.645  -8.900
  210    HB2  SER 592           1HB      SER 592   2.449   3.571  -9.702
  211    HB3  SER 592           2HB      SER 592   1.335   4.621 -10.597
  212    HG   SER 592           HG       SER 592   3.234   5.483 -11.667
  213    H    ARG 593           H        ARG 593   0.662   7.266  -8.470
  214    HA   ARG 593           HA       ARG 593   0.985   9.176 -10.701
  215    HB2  ARG 593           1HB      ARG 593  -1.220   8.438 -10.203
  216    HB3  ARG 593           2HB      ARG 593  -1.050   8.782  -8.481
  217    HG2  ARG 593           1HG      ARG 593  -1.118  11.134  -8.809
  218    HG3  ARG 593           2HG      ARG 593  -0.895  10.974 -10.560
  219    HD2  ARG 593           1HD      ARG 593  -3.087   9.984 -10.826
  220    HD3  ARG 593           2HD      ARG 593  -3.282   9.784  -9.091
  221    HE   ARG 593           HE       ARG 593  -3.339  12.383 -10.585
  222   HH11  ARG 593          1HH2      ARG 593  -4.268  10.598  -7.704
  223   HH12  ARG 593          2HH2      ARG 593  -5.079  11.982  -7.017
  224   HH21  ARG 593          1HH1      ARG 593  -4.448  14.071  -9.664
  225   HH22  ARG 593          2HH1      ARG 593  -5.212  13.870  -8.117
  226    H    LEU 594           H        LEU 594   2.356  10.796 -10.563
  227    HA   LEU 594           HA       LEU 594   3.809  11.416  -8.189
  228    HB2  LEU 594           1HB      LEU 594   3.602  12.965 -10.802
  229    HB3  LEU 594           2HB      LEU 594   4.834  13.206  -9.569
  230    HG   LEU 594           HG       LEU 594   4.458  10.675 -11.230
  231   HD11  LEU 594          1HD1      LEU 594   5.368  12.597 -12.483
  232   HD12  LEU 594          2HD1      LEU 594   6.585  11.331 -12.258
  233   HD13  LEU 594          3HD1      LEU 594   6.640  12.800 -11.257
  234   HD21  LEU 594          3HD2      LEU 594   6.573  11.366  -9.142
  235   HD22  LEU 594          1HD2      LEU 594   6.644   9.982 -10.256
  236   HD23  LEU 594          2HD2      LEU 594   5.369  10.058  -9.041
  237    H    ALA 595           H        ALA 595   0.877  12.875  -9.420
  238    HA   ALA 595           HA       ALA 595   0.947  15.216  -7.698
  239    HB1  ALA 595           1HB      ALA 595  -0.294  15.130  -9.832
  240    HB2  ALA 595           2HB      ALA 595  -1.349  13.856  -9.173
  241    HB3  ALA 595           3HB      ALA 595  -1.373  15.486  -8.471
  242    H    CYS 596           H        CYS 596   0.471  11.943  -6.986
  243    HA   CYS 596           HA       CYS 596  -1.271  12.422  -4.607
  244    HB2  CYS 596           1HB      CYS 596  -2.236  11.118  -6.406
  245    HB3  CYS 596           2HB      CYS 596  -0.833  10.057  -6.453
  246    H    GLY 597           H        GLY 597   1.195  10.061  -5.682
  247    HA2  GLY 597           1HA      GLY 597   3.034   9.115  -4.655
  248    HA3  GLY 597           2HA      GLY 597   3.300  10.741  -4.017
  249    H    PHE 598           H        PHE 598   0.971   8.078  -3.264
  250    HA   PHE 598           HA       PHE 598   1.168   8.798  -0.408
  251    HB2  PHE 598           1HB      PHE 598  -1.041   8.881  -1.545
  252    HB3  PHE 598           2HB      PHE 598  -0.973   7.150  -1.833
  253    HD1  PHE 598           1HD      PHE 598  -0.591   9.665   0.987
  254    HD2  PHE 598           2HD      PHE 598  -1.975   5.761  -0.194
  255    HE1  PHE 598           1HE      PHE 598  -1.662   9.374   3.210
  256    HE2  PHE 598           2HE      PHE 598  -3.040   5.483   2.050
  257    HZ   PHE 598           HZ       PHE 598  -2.945   7.269   3.710
  258    H    ASP 599           H        ASP 599   1.294   7.227   1.208
  259    HA   ASP 599           HA       ASP 599   2.752   4.730   0.461
  260    HB2  ASP 599           1HB      ASP 599   4.294   6.516   1.119
  261    HB3  ASP 599           2HB      ASP 599   3.367   6.817   2.589
  262    H    PHE 600           H        PHE 600   1.392   3.121   0.946
  263    HA   PHE 600           HA       PHE 600  -0.174   3.292   3.478
  264    HB2  PHE 600           1HB      PHE 600  -2.090   2.438   2.337
  265    HB3  PHE 600           2HB      PHE 600  -1.506   3.895   1.570
  266    HD1  PHE 600           1HD      PHE 600  -0.549   3.863  -0.708
  267    HD2  PHE 600           2HD      PHE 600  -2.040   0.286   1.181
  268    HE1  PHE 600           1HE      PHE 600  -0.726   2.768  -2.915
  269    HE2  PHE 600           2HE      PHE 600  -2.216  -0.816  -1.033
  270    HZ   PHE 600           HZ       PHE 600  -1.579   0.426  -3.092
  271    H    CYS 601           H        CYS 601  -0.996   1.493   4.394
  272    HA   CYS 601           HA       CYS 601   0.658  -0.927   4.423
  273    HB2  CYS 601           1HB      CYS 601  -0.172   0.092   6.494
  274    HB3  CYS 601           2HB      CYS 601  -1.826   0.026   5.889
  275    H    VAL 602           H        VAL 602   0.243  -2.659   3.196
  276    HA   VAL 602           HA       VAL 602  -2.039  -2.633   1.372
  277    HB   VAL 602           HB       VAL 602  -1.046  -4.538   0.285
  278   HG11  VAL 602          1HG1      VAL 602   1.011  -2.441   1.035
  279   HG12  VAL 602          2HG1      VAL 602   1.108  -3.528  -0.356
  280   HG13  VAL 602          3HG1      VAL 602  -0.189  -2.337  -0.271
  281   HG21  VAL 602          3HG2      VAL 602  -0.236  -5.961   1.972
  282   HG22  VAL 602          1HG2      VAL 602   1.225  -5.372   1.162
  283   HG23  VAL 602          2HG2      VAL 602   0.728  -4.691   2.724
  284    H    LEU 603           H        LEU 603  -1.903  -3.720   4.503
  285    HA   LEU 603           HA       LEU 603  -3.815  -5.970   4.071
  286    HB2  LEU 603           1HB      LEU 603  -2.440  -4.926   6.553
  287    HB3  LEU 603           2HB      LEU 603  -3.626  -6.225   6.540
  288    HG   LEU 603           HG       LEU 603  -0.857  -6.279   5.277
  289   HD11  LEU 603          1HD1      LEU 603  -0.942  -6.558   7.722
  290   HD12  LEU 603          2HD1      LEU 603  -0.536  -8.104   6.955
  291   HD13  LEU 603          3HD1      LEU 603  -2.175  -7.825   7.559
  292   HD21  LEU 603          3HD2      LEU 603  -3.063  -8.386   5.201
  293   HD22  LEU 603          1HD2      LEU 603  -1.362  -8.685   4.783
  294   HD23  LEU 603          2HD2      LEU 603  -2.314  -7.571   3.805
  295    H    CYS 604           H        CYS 604  -3.728  -2.680   5.492
  296    HA   CYS 604           HA       CYS 604  -6.674  -2.850   5.910
  297    HB2  CYS 604           1HB      CYS 604  -6.468  -1.458   7.831
  298    HB3  CYS 604           2HB      CYS 604  -5.569  -2.964   8.022
  299    H    LEU 605           H        LEU 605  -4.426  -1.252   4.055
  300    HA   LEU 605           HA       LEU 605  -4.505   0.485   2.634
  301    HB2  LEU 605           1HB      LEU 605  -7.482  -0.056   2.821
  302    HB3  LEU 605           2HB      LEU 605  -6.792   1.059   1.665
  303    HG   LEU 605           HG       LEU 605  -6.092  -1.899   1.796
  304   HD11  LEU 605          1HD1      LEU 605  -7.837  -0.338  -0.156
  305   HD12  LEU 605          2HD1      LEU 605  -8.421  -1.478   1.079
  306   HD13  LEU 605          3HD1      LEU 605  -7.424  -2.065  -0.261
  307   HD21  LEU 605          3HD2      LEU 605  -5.128  -1.425  -0.491
  308   HD22  LEU 605          1HD2      LEU 605  -4.240  -0.660   0.824
  309   HD23  LEU 605          2HD2      LEU 605  -5.345   0.312  -0.176
  310    H    CYS 606           H        CYS 606  -4.254   1.175   5.361
  311    HA   CYS 606           HA       CYS 606  -5.069   4.065   5.237
  312    HB2  CYS 606           1HB      CYS 606  -4.300   2.320   7.616
  313    HB3  CYS 606           2HB      CYS 606  -4.534   4.069   7.694
  314    HG   CYS 606           HG       CYS 606  -6.628   2.835   8.712
  315    H    ALA 607           H        ALA 607  -3.302   5.445   6.380
  316    HA   ALA 607           HA       ALA 607  -0.931   5.430   4.837
  317    HB1  ALA 607           1HB      ALA 607  -1.439   6.647   7.586
  318    HB2  ALA 607           2HB      ALA 607  -0.115   7.076   6.482
  319    HB3  ALA 607           3HB      ALA 607  -1.793   7.413   6.018
  320    H    TYR 608           H        TYR 608   1.051   4.537   5.060
  321    HA   TYR 608           HA       TYR 608   1.229   2.013   6.165
  322    HB2  TYR 608           1HB      TYR 608   2.558   2.864   4.301
  323    HB3  TYR 608           2HB      TYR 608   3.456   3.916   5.383
  324    HD1  TYR 608           2HD      TYR 608   2.603   0.289   4.826
  325    HD2  TYR 608           1HD      TYR 608   5.505   3.147   6.266
  326    HE1  TYR 608           2HE      TYR 608   4.316  -1.502   4.933
  327    HE2  TYR 608           1HE      TYR 608   7.223   1.340   6.359
  328    HH   TYR 608           HH       TYR 608   6.578  -1.834   4.908
  329    H    HIS 609           H        HIS 609   1.823   1.079   7.991
  330    HA   HIS 609           HA       HIS 609   2.972   2.714  10.196
  331    HB2  HIS 609           1HB      HIS 609   1.466   1.609  11.747
  332    HB3  HIS 609           2HB      HIS 609   0.602   2.495  10.504
  333    HD1  HIS 609           1HD      HIS 609   1.484  -1.186  11.350
  334    HD2  HIS 609           2HD      HIS 609  -1.248   1.175   9.193
  335    HE1  HIS 609           1HE      HIS 609  -0.324  -2.764  10.581
  336    H    GLY 610           H        GLY 610   4.288   0.798   8.282
  337    HA2  GLY 610           1HA      GLY 610   6.107  -0.618   8.384
  338    HA3  GLY 610           2HA      GLY 610   6.358   0.106   9.965
  339    H    SER 611           H        SER 611   6.687  -1.360  11.470
  340    HA   SER 611           HA       SER 611   5.819  -4.167  11.136
  341    HB2  SER 611           1HB      SER 611   8.165  -3.381  11.774
  342    HB3  SER 611           2HB      SER 611   7.507  -3.010  13.375
  343    HG   SER 611           HG       SER 611   6.826  -5.239  13.468
  344    H    GLU 612           H        GLU 612   4.222  -1.553  12.483
  345    HA   GLU 612           HA       GLU 612   3.206  -2.846  14.910
  346    HB2  GLU 612           1HB      GLU 612   2.218  -0.416  13.368
  347    HB3  GLU 612           2HB      GLU 612   1.515  -1.023  14.860
  348    HG2  GLU 612           1HG      GLU 612   3.756  -0.761  15.983
  349    HG3  GLU 612           2HG      GLU 612   4.347   0.034  14.520
  350    H    ASP 613           H        ASP 613   1.008  -3.465  15.272
  351    HA   ASP 613           HA       ASP 613  -0.230  -5.124  13.257
  352    HB2  ASP 613           1HB      ASP 613  -1.983  -5.377  14.999
  353    HB3  ASP 613           2HB      ASP 613  -0.359  -5.721  15.585
  354    H    CYS 614           H        CYS 614  -2.206  -4.852  12.186
  355    HA   CYS 614           HA       CYS 614  -3.097  -2.168  11.530
  356    HB2  CYS 614           1HB      CYS 614  -4.222  -4.922  10.872
  357    HB3  CYS 614           2HB      CYS 614  -4.815  -3.397  10.216
  358    H    ARG 615           H        ARG 615  -5.049  -1.201  12.023
  359    HA   ARG 615           HA       ARG 615  -6.554  -2.186  14.418
  360    HB2  ARG 615           1HB      ARG 615  -5.192   0.533  14.141
  361    HB3  ARG 615           2HB      ARG 615  -6.223   0.032  15.490
  362    HG2  ARG 615           1HG      ARG 615  -4.639  -1.790  16.048
  363    HG3  ARG 615           2HG      ARG 615  -3.612  -1.309  14.693
  364    HD2  ARG 615           1HD      ARG 615  -3.334   0.939  15.745
  365    HD3  ARG 615           2HD      ARG 615  -4.148   0.307  17.192
  366    HE   ARG 615           HE       ARG 615  -2.293  -1.596  16.893
  367   HH11  ARG 615          1HH1      ARG 615  -1.611   1.865  16.419
  368   HH12  ARG 615          2HH1      ARG 615   0.114   1.543  16.638
  369   HH21  ARG 615          1HH2      ARG 615  -0.105  -1.740  17.215
  370   HH22  ARG 615          2HH2      ARG 615   0.863  -0.254  17.094
  371    H    ARG 616           H        ARG 616  -8.397  -0.833  14.984
  372    HA   ARG 616           HA       ARG 616 -10.230  -0.545  12.772
  373    HB2  ARG 616           1HB      ARG 616 -10.453   0.261  15.706
  374    HB3  ARG 616           2HB      ARG 616 -11.784   0.327  14.548
  375    HG2  ARG 616           1HG      ARG 616 -11.642  -2.120  14.192
  376    HG3  ARG 616           2HG      ARG 616 -10.270  -2.214  15.302
  377    HD2  ARG 616           1HD      ARG 616 -12.229  -2.905  16.495
  378    HD3  ARG 616           2HD      ARG 616 -11.692  -1.346  17.141
  379    HE   ARG 616           HE       ARG 616 -13.705  -1.057  15.054
  380   HH11  ARG 616          1HH1      ARG 616 -13.422  -1.766  18.475
  381   HH12  ARG 616          2HH1      ARG 616 -15.034  -1.199  18.818
  382   HH21  ARG 616          1HH2      ARG 616 -15.746  -0.339  15.565
  383   HH22  ARG 616          2HH2      ARG 616 -16.311  -0.420  17.208
  384    H    GLY 617           H        GLY 617 -11.394   1.268  12.094
  385    HA2  GLY 617           1HA      GLY 617 -10.695   4.014  12.730
  386    HA3  GLY 617           2HA      GLY 617 -10.016   3.495  11.185
  Start of MODEL    6
    1    H    THR 566           1H       THR 566  -5.953 -10.692 -17.869
    2    HA   THR 566           HA       THR 566  -3.658 -10.699 -17.241
    3    HB   THR 566           HB       THR 566  -3.679  -7.734 -17.902
    4    HG1  THR 566           1HG      THR 566  -2.386  -8.380 -19.619
    5   HG21  THR 566          1HG2      THR 566  -1.419  -9.647 -17.137
    6   HG22  THR 566          2HG2      THR 566  -2.025  -8.293 -16.151
    7   HG23  THR 566          3HG2      THR 566  -1.210  -7.968 -17.683
    8    H    ASP 567           H        ASP 567  -3.278 -10.555 -15.049
    9    HA   ASP 567           HA       ASP 567  -4.711  -8.561 -13.402
   10    HB2  ASP 567           1HB      ASP 567  -6.233 -10.509 -13.545
   11    HB3  ASP 567           2HB      ASP 567  -4.937 -11.570 -12.992
   12    H    GLU 568           H        GLU 568  -3.639  -8.031 -11.525
   13    HA   GLU 568           HA       GLU 568  -1.170  -9.459 -10.711
   14    HB2  GLU 568           1HB      GLU 568  -1.313  -6.523 -11.525
   15    HB3  GLU 568           2HB      GLU 568   0.006  -7.204 -10.592
   16    HG2  GLU 568           1HG      GLU 568  -0.749  -8.011 -13.428
   17    HG3  GLU 568           2HG      GLU 568   0.565  -6.941 -12.964
   18    H    ALA 569           H        ALA 569  -0.375  -8.780  -8.601
   19    HA   ALA 569           HA       ALA 569  -2.574  -8.236  -6.784
   20    HB1  ALA 569           1HB      ALA 569   0.361  -8.815  -6.227
   21    HB2  ALA 569           2HB      ALA 569  -0.971  -8.914  -5.053
   22    HB3  ALA 569           3HB      ALA 569  -0.907 -10.054  -6.411
   23    H    LEU 570           H        LEU 570  -1.168  -6.156  -8.420
   24    HA   LEU 570           HA       LEU 570  -0.192  -3.991  -6.795
   25    HB2  LEU 570           1HB      LEU 570  -1.437  -4.023  -9.567
   26    HB3  LEU 570           2HB      LEU 570  -0.640  -2.637  -8.819
   27    HG   LEU 570           HG       LEU 570   0.772  -5.279  -9.422
   28   HD11  LEU 570          1HD1      LEU 570  -0.019  -4.204 -11.491
   29   HD12  LEU 570          2HD1      LEU 570   1.745  -4.094 -11.340
   30   HD13  LEU 570          3HD1      LEU 570   0.732  -2.671 -10.984
   31   HD21  LEU 570          3HD2      LEU 570   2.826  -3.949  -9.198
   32   HD22  LEU 570          1HD2      LEU 570   1.884  -3.884  -7.706
   33   HD23  LEU 570          2HD2      LEU 570   1.865  -2.500  -8.820
   34    H    LYS 571           H        LYS 571  -1.407  -3.411  -5.228
   35    HA   LYS 571           HA       LYS 571  -4.284  -3.377  -5.290
   36    HB2  LYS 571           1HB      LYS 571  -2.574  -2.264  -3.039
   37    HB3  LYS 571           2HB      LYS 571  -4.239  -2.841  -2.959
   38    HG2  LYS 571           1HG      LYS 571  -3.265  -5.095  -3.851
   39    HG3  LYS 571           2HG      LYS 571  -1.696  -4.436  -3.331
   40    HD2  LYS 571           1HD      LYS 571  -2.783  -4.123  -1.020
   41    HD3  LYS 571           2HD      LYS 571  -4.129  -5.098  -1.631
   42    HE2  LYS 571           1HE      LYS 571  -1.214  -5.894  -1.297
   43    HE3  LYS 571           2HE      LYS 571  -2.606  -6.563  -0.447
   44    HZ1  LYS 571           3HZ      LYS 571  -3.337  -7.515  -2.588
   45    HZ2  LYS 571           1HZ      LYS 571  -1.838  -8.045  -2.205
   46    HZ3  LYS 571           2HZ      LYS 571  -2.020  -6.894  -3.352
   47    HA   PRO 572           HA       PRO 572  -5.065   0.866  -6.336
   48    HB2  PRO 572           1HB      PRO 572  -7.517   1.285  -5.187
   49    HB3  PRO 572           2HB      PRO 572  -7.263   0.327  -6.663
   50    HG2  PRO 572           1HG      PRO 572  -7.594  -0.638  -3.808
   51    HG3  PRO 572           2HG      PRO 572  -8.339  -1.304  -5.293
   52    HD2  PRO 572           1HD      PRO 572  -6.099  -2.378  -4.112
   53    HD3  PRO 572           2HD      PRO 572  -6.360  -2.439  -5.880
   54    H    CYS 573           H        CYS 573  -4.160   2.583  -5.489
   55    HA   CYS 573           HA       CYS 573  -3.277   3.082  -2.919
   56    HB2  CYS 573           1HB      CYS 573  -2.509   4.228  -4.877
   57    HB3  CYS 573           2HB      CYS 573  -4.122   4.805  -5.253
   58    HA   PRO 574           HA       PRO 574  -7.104   3.851  -0.744
   59    HB2  PRO 574           1HB      PRO 574  -6.115   4.684   1.680
   60    HB3  PRO 574           2HB      PRO 574  -5.980   3.002   1.081
   61    HG2  PRO 574           1HG      PRO 574  -3.958   5.235   0.847
   62    HG3  PRO 574           2HG      PRO 574  -3.670   3.568   1.476
   63    HD2  PRO 574           1HD      PRO 574  -3.060   4.226  -1.047
   64    HD3  PRO 574           2HD      PRO 574  -3.788   2.633  -0.660
   65    H    ARG 575           H        ARG 575  -5.027   6.335  -1.828
   66    HA   ARG 575           HA       ARG 575  -6.893   8.539  -1.017
   67    HB2  ARG 575           1HB      ARG 575  -4.141   8.453  -2.262
   68    HB3  ARG 575           2HB      ARG 575  -5.139   9.900  -2.340
   69    HG2  ARG 575           1HG      ARG 575  -5.307   9.882   0.162
   70    HG3  ARG 575           2HG      ARG 575  -4.078   8.593   0.188
   71    HD2  ARG 575           1HD      ARG 575  -2.493  10.040  -0.990
   72    HD3  ARG 575           2HD      ARG 575  -3.723  11.286  -1.217
   73    HE   ARG 575           HE       ARG 575  -3.578  10.924   1.541
   74   HH11  ARG 575          1HH1      ARG 575  -1.243  11.883  -0.913
   75   HH12  ARG 575          2HH1      ARG 575  -0.418  12.954   0.174
   76   HH21  ARG 575          1HH2      ARG 575  -2.460  12.320   2.867
   77   HH22  ARG 575          2HH2      ARG 575  -1.077  13.179   2.260
   78    H    CYS 576           H        CYS 576  -5.471   7.165  -4.008
   79    HA   CYS 576           HA       CYS 576  -7.610   8.556  -5.564
   80    HB2  CYS 576           1HB      CYS 576  -6.016   9.136  -7.216
   81    HB3  CYS 576           2HB      CYS 576  -5.415   9.674  -5.647
   82    H    GLN 577           H        GLN 577  -6.633   5.508  -4.796
   83    HA   GLN 577           HA       GLN 577  -7.031   3.467  -5.525
   84    HB2  GLN 577           1HB      GLN 577  -9.147   4.706  -7.297
   85    HB3  GLN 577           2HB      GLN 577  -9.033   3.001  -6.895
   86    HG2  GLN 577           1HG      GLN 577  -9.391   5.136  -4.744
   87    HG3  GLN 577           2HG      GLN 577 -10.731   4.413  -5.614
   88   HE21  GLN 577          1HE2      GLN 577  -8.013   3.585  -3.370
   89   HE22  GLN 577          2HE2      GLN 577  -8.824   2.135  -2.791
   90    H    SER 578           H        SER 578  -5.172   5.288  -7.205
   91    HA   SER 578           HA       SER 578  -4.858   3.988  -9.743
   92    HB2  SER 578           1HB      SER 578  -2.701   5.296  -8.039
   93    HB3  SER 578           2HB      SER 578  -2.672   5.037  -9.789
   94    HG   SER 578           HG       SER 578  -4.068   6.892  -8.234
   95    HA   PRO 579           HA       PRO 579  -2.821   0.166  -8.399
   96    HB2  PRO 579           1HB      PRO 579  -1.268  -0.463 -10.557
   97    HB3  PRO 579           2HB      PRO 579  -3.047  -0.635 -10.550
   98    HG2  PRO 579           1HG      PRO 579  -1.397   1.684 -11.600
   99    HG3  PRO 579           2HG      PRO 579  -2.723   0.817 -12.444
  100    HD2  PRO 579           1HD      PRO 579  -3.149   3.168 -11.157
  101    HD3  PRO 579           2HD      PRO 579  -4.368   1.858 -11.082
  102    H    ALA 580           H        ALA 580  -1.565   0.676  -6.741
  103    HA   ALA 580           HA       ALA 580   0.835   2.326  -6.914
  104    HB1  ALA 580           1HB      ALA 580   0.952   1.792  -4.477
  105    HB2  ALA 580           2HB      ALA 580  -0.633   2.410  -4.976
  106    HB3  ALA 580           3HB      ALA 580  -0.397   0.666  -4.686
  107    H    LYS 581           H        LYS 581   2.973   1.673  -6.467
  108    HA   LYS 581           HA       LYS 581   3.878  -0.858  -7.560
  109    HB2  LYS 581           1HB      LYS 581   5.169   1.348  -7.521
  110    HB3  LYS 581           2HB      LYS 581   5.470   1.049  -5.793
  111    HG2  LYS 581           1HG      LYS 581   6.542  -1.114  -6.347
  112    HG3  LYS 581           2HG      LYS 581   6.261  -0.826  -8.068
  113    HD2  LYS 581           1HD      LYS 581   7.970   0.933  -6.248
  114    HD3  LYS 581           2HD      LYS 581   8.586  -0.327  -7.329
  115    HE2  LYS 581           1HE      LYS 581   7.599   0.879  -9.282
  116    HE3  LYS 581           2HE      LYS 581   7.060   2.169  -8.200
  117    HZ1  LYS 581           3HZ      LYS 581   9.398   2.576  -7.631
  118    HZ2  LYS 581           1HZ      LYS 581   9.181   2.719  -9.241
  119    HZ3  LYS 581           2HZ      LYS 581   9.894   1.385  -8.634
  120    H    TYR 582           H        TYR 582   3.476  -2.687  -6.570
  121    HA   TYR 582           HA       TYR 582   2.894  -2.790  -3.725
  122    HB2  TYR 582           1HB      TYR 582   1.523  -3.935  -5.471
  123    HB3  TYR 582           2HB      TYR 582   2.914  -4.930  -5.860
  124    HD1  TYR 582           1HD      TYR 582   1.781  -4.058  -2.384
  125    HD2  TYR 582           2HD      TYR 582   1.959  -7.027  -5.512
  126    HE1  TYR 582           1HE      TYR 582   1.036  -5.775  -0.788
  127    HE2  TYR 582           2HE      TYR 582   1.130  -8.741  -3.921
  128    HH   TYR 582           HH       TYR 582   0.445  -7.996  -0.474
  129    H    GLN 583           H        GLN 583   4.112  -3.574  -2.114
  130    HA   GLN 583           HA       GLN 583   6.712  -4.924  -2.712
  131    HB2  GLN 583           1HB      GLN 583   6.234  -2.989  -0.450
  132    HB3  GLN 583           2HB      GLN 583   7.762  -3.598  -1.068
  133    HG2  GLN 583           1HG      GLN 583   7.227  -2.261  -3.238
  134    HG3  GLN 583           2HG      GLN 583   5.892  -1.547  -2.341
  135   HE21  GLN 583          1HE2      GLN 583   7.670   0.203  -3.329
  136   HE22  GLN 583          2HE2      GLN 583   8.688   0.823  -2.036
  137    HA   PRO 584           HA       PRO 584   3.870  -7.469   0.023
  138    HB2  PRO 584           1HB      PRO 584   4.519  -9.948  -1.046
  139    HB3  PRO 584           2HB      PRO 584   3.242  -8.876  -1.670
  140    HG2  PRO 584           1HG      PRO 584   6.085  -9.157  -2.662
  141    HG3  PRO 584           2HG      PRO 584   4.574  -9.107  -3.625
  142    HD2  PRO 584           1HD      PRO 584   6.120  -6.921  -3.333
  143    HD3  PRO 584           2HD      PRO 584   4.337  -6.782  -3.300
  144    H    HIS 585           H        HIS 585   7.295  -7.836  -0.768
  145    HA   HIS 585           HA       HIS 585   8.068  -9.450   1.508
  146    HB2  HIS 585           1HB      HIS 585  10.327  -8.855   0.804
  147    HB3  HIS 585           2HB      HIS 585   9.355  -9.375  -0.565
  148    HD2  HIS 585           2HD      HIS 585  12.027  -7.250  -0.302
  149    HE1  HIS 585           1HE      HIS 585   9.387  -4.774  -2.554
  150    HE2  HIS 585           2HE      HIS 585  11.811  -5.155  -1.884
  151    H    LYS 586           H        LYS 586   7.259  -6.117   1.194
  152    HA   LYS 586           HA       LYS 586   8.333  -5.493   3.930
  153    HB2  LYS 586           1HB      LYS 586   7.959  -3.657   1.524
  154    HB3  LYS 586           2HB      LYS 586   8.434  -3.129   3.144
  155    HG2  LYS 586           1HG      LYS 586  10.462  -4.553   3.031
  156    HG3  LYS 586           2HG      LYS 586  10.030  -5.034   1.380
  157    HD2  LYS 586           1HD      LYS 586  10.164  -2.687   0.635
  158    HD3  LYS 586           2HD      LYS 586  10.571  -2.177   2.291
  159    HE2  LYS 586           1HE      LYS 586  12.593  -3.629   2.229
  160    HE3  LYS 586           2HE      LYS 586  12.191  -4.122   0.580
  161    HZ1  LYS 586           3HZ      LYS 586  12.833  -1.344   1.429
  162    HZ2  LYS 586           1HZ      LYS 586  12.445  -1.783  -0.098
  163    HZ3  LYS 586           2HZ      LYS 586  13.823  -2.327   0.585
  164    H    LYS 587           H        LYS 587   5.543  -6.306   2.510
  165    HA   LYS 587           HA       LYS 587   3.338  -5.747   2.538
  166    HB2  LYS 587           1HB      LYS 587   4.168  -5.656   5.438
  167    HB3  LYS 587           2HB      LYS 587   2.490  -5.298   5.000
  168    HG2  LYS 587           1HG      LYS 587   2.193  -7.386   3.881
  169    HG3  LYS 587           2HG      LYS 587   3.908  -7.809   4.039
  170    HD2  LYS 587           1HD      LYS 587   3.743  -8.098   6.395
  171    HD3  LYS 587           2HD      LYS 587   2.143  -7.331   6.471
  172    HE2  LYS 587           1HE      LYS 587   1.098  -9.138   5.283
  173    HE3  LYS 587           2HE      LYS 587   2.656  -9.842   4.829
  174    HZ1  LYS 587           3HZ      LYS 587   1.654  -9.702   7.627
  175    HZ2  LYS 587           1HZ      LYS 587   3.060 -10.379   7.154
  176    HZ3  LYS 587           2HZ      LYS 587   1.645 -11.042   6.694
  177    H    ARG 588           H        ARG 588   4.695  -3.790   1.436
  178    HA   ARG 588           HA       ARG 588   3.428  -1.231   2.365
  179    HB2  ARG 588           1HB      ARG 588   5.879  -1.535   2.885
  180    HB3  ARG 588           2HB      ARG 588   6.206  -1.586   1.168
  181    HG2  ARG 588           1HG      ARG 588   5.424   0.702   0.912
  182    HG3  ARG 588           2HG      ARG 588   4.900   0.755   2.611
  183    HD2  ARG 588           1HD      ARG 588   7.203   0.453   3.364
  184    HD3  ARG 588           2HD      ARG 588   7.757   0.200   1.726
  185    HE   ARG 588           HE       ARG 588   6.401   2.777   2.422
  186   HH11  ARG 588          2HH1      ARG 588   9.421   1.242   1.491
  187   HH12  ARG 588          1HH1      ARG 588  10.270   2.764   1.406
  188   HH21  ARG 588          1HH2      ARG 588   7.545   4.620   2.430
  189   HH22  ARG 588          2HH2      ARG 588   9.213   4.659   1.879
  190    H    GLY 589           H        GLY 589   2.767   0.238   0.801
  191    HA2  GLY 589           1HA      GLY 589   3.045  -0.525  -2.067
  192    HA3  GLY 589           2HA      GLY 589   1.441  -0.217  -1.413
  193    H    LEU 590           H        LEU 590   3.559   1.160  -3.332
  194    HA   LEU 590           HA       LEU 590   3.347   3.936  -2.223
  195    HB2  LEU 590           1HB      LEU 590   5.515   2.731  -3.982
  196    HB3  LEU 590           2HB      LEU 590   5.351   4.444  -3.611
  197    HG   LEU 590           HG       LEU 590   6.002   2.218  -1.642
  198   HD11  LEU 590          1HD1      LEU 590   7.848   3.034  -3.110
  199   HD12  LEU 590          2HD1      LEU 590   8.111   3.430  -1.401
  200   HD13  LEU 590          3HD1      LEU 590   7.557   4.687  -2.529
  201   HD21  LEU 590          3HD2      LEU 590   5.268   5.136  -1.176
  202   HD22  LEU 590          1HD2      LEU 590   6.306   4.213  -0.042
  203   HD23  LEU 590          2HD2      LEU 590   4.672   3.664  -0.376
  204    H    CYS 591           H        CYS 591   2.149   5.328  -3.297
  205    HA   CYS 591           HA       CYS 591   0.637   4.568  -5.540
  206    HB2  CYS 591           1HB      CYS 591   0.075   6.289  -3.812
  207    HB3  CYS 591           2HB      CYS 591   1.235   7.383  -4.627
  208    H    SER 592           H        SER 592   0.611   5.099  -7.656
  209    HA   SER 592           HA       SER 592   3.182   5.644  -9.012
  210    HB2  SER 592           1HB      SER 592   1.644   3.780  -9.669
  211    HB3  SER 592           2HB      SER 592   0.457   4.990 -10.190
  212    HG   SER 592           HG       SER 592   1.810   4.215 -11.906
  213    H    ARG 593           H        ARG 593   0.318   7.420  -8.104
  214    HA   ARG 593           HA       ARG 593   0.493   9.429 -10.245
  215    HB2  ARG 593           1HB      ARG 593  -1.639   8.644  -9.445
  216    HB3  ARG 593           2HB      ARG 593  -1.271   9.100  -7.789
  217    HG2  ARG 593           1HG      ARG 593  -1.206  11.497  -8.438
  218    HG3  ARG 593           2HG      ARG 593  -1.527  11.040 -10.101
  219    HD2  ARG 593           1HD      ARG 593  -3.359  10.818  -7.684
  220    HD3  ARG 593           2HD      ARG 593  -3.614  11.799  -9.117
  221    HE   ARG 593           HE       ARG 593  -4.105   8.920  -8.726
  222   HH11  ARG 593          1HH1      ARG 593  -4.117  11.481 -11.127
  223   HH12  ARG 593          2HH1      ARG 593  -4.899  10.475 -12.317
  224   HH21  ARG 593          1HH2      ARG 593  -4.881   7.665 -10.327
  225   HH22  ARG 593          2HH2      ARG 593  -5.393   8.365 -11.848
  226    H    LEU 594           H        LEU 594   1.910  11.034 -10.201
  227    HA   LEU 594           HA       LEU 594   3.639  11.508  -7.991
  228    HB2  LEU 594           1HB      LEU 594   3.149  13.207 -10.471
  229    HB3  LEU 594           2HB      LEU 594   4.522  13.367  -9.380
  230    HG   LEU 594           HG       LEU 594   3.912  10.933 -11.116
  231   HD11  LEU 594          1HD1      LEU 594   6.104  13.041 -11.298
  232   HD12  LEU 594          2HD1      LEU 594   4.690  12.912 -12.369
  233   HD13  LEU 594          3HD1      LEU 594   5.910  11.627 -12.360
  234   HD21  LEU 594          3HD2      LEU 594   6.273  11.497  -9.266
  235   HD22  LEU 594          1HD2      LEU 594   6.191  10.175 -10.452
  236   HD23  LEU 594          2HD2      LEU 594   5.072  10.194  -9.089
  237    H    ALA 595           H        ALA 595   0.668  13.199  -8.879
  238    HA   ALA 595           HA       ALA 595   1.027  15.384  -6.996
  239    HB1  ALA 595           1HB      ALA 595  -0.355  15.556  -9.035
  240    HB2  ALA 595           2HB      ALA 595  -1.462  14.315  -8.399
  241    HB3  ALA 595           3HB      ALA 595  -1.310  15.883  -7.578
  242    H    CYS 596           H        CYS 596   0.058  12.097  -6.624
  243    HA   CYS 596           HA       CYS 596  -1.437  12.499  -4.094
  244    HB2  CYS 596           1HB      CYS 596  -2.403  11.167  -5.846
  245    HB3  CYS 596           2HB      CYS 596  -0.933  10.196  -5.990
  246    H    GLY 597           H        GLY 597   1.145  10.376  -5.317
  247    HA2  GLY 597           1HA      GLY 597   3.046   9.454  -4.377
  248    HA3  GLY 597           2HA      GLY 597   3.254  11.068  -3.695
  249    H    PHE 598           H        PHE 598   1.291   8.113  -3.003
  250    HA   PHE 598           HA       PHE 598   1.456   8.752  -0.116
  251    HB2  PHE 598           1HB      PHE 598  -0.766   8.778  -1.303
  252    HB3  PHE 598           2HB      PHE 598  -0.642   7.038  -1.508
  253    HD1  PHE 598           2HD      PHE 598  -0.331   9.707   1.156
  254    HD2  PHE 598           1HD      PHE 598  -1.569   5.694   0.230
  255    HE1  PHE 598           2HE      PHE 598  -1.251   9.470   3.453
  256    HE2  PHE 598           1HE      PHE 598  -2.474   5.459   2.556
  257    HZ   PHE 598           HZ       PHE 598  -2.357   7.320   4.130
  258    H    ASP 599           H        ASP 599   1.564   7.065   1.411
  259    HA   ASP 599           HA       ASP 599   3.047   4.625   0.557
  260    HB2  ASP 599           1HB      ASP 599   4.609   6.455   1.153
  261    HB3  ASP 599           2HB      ASP 599   3.812   6.643   2.713
  262    H    PHE 600           H        PHE 600   1.678   3.035   1.116
  263    HA   PHE 600           HA       PHE 600   0.247   3.241   3.726
  264    HB2  PHE 600           1HB      PHE 600  -1.741   2.453   2.687
  265    HB3  PHE 600           2HB      PHE 600  -1.141   3.860   1.853
  266    HD1  PHE 600           2HD      PHE 600  -0.316   3.770  -0.452
  267    HD2  PHE 600           1HD      PHE 600  -1.790   0.253   1.553
  268    HE1  PHE 600           2HE      PHE 600  -0.640   2.661  -2.633
  269    HE2  PHE 600           1HE      PHE 600  -2.090  -0.874  -0.639
  270    HZ   PHE 600           HZ       PHE 600  -1.541   0.332  -2.738
  271    H    CYS 601           H        CYS 601  -0.553   1.456   4.698
  272    HA   CYS 601           HA       CYS 601   1.058  -0.990   4.622
  273    HB2  CYS 601           1HB      CYS 601   0.358  -0.020   6.755
  274    HB3  CYS 601           2HB      CYS 601  -1.335  -0.034   6.234
  275    H    VAL 602           H        VAL 602   0.576  -2.678   3.363
  276    HA   VAL 602           HA       VAL 602  -1.768  -2.604   1.633
  277    HB   VAL 602           HB       VAL 602  -0.854  -4.538   0.519
  278   HG11  VAL 602          1HG1      VAL 602   1.284  -2.506   1.209
  279   HG12  VAL 602          2HG1      VAL 602   1.292  -3.577  -0.200
  280   HG13  VAL 602          3HG1      VAL 602   0.042  -2.340  -0.047
  281   HG21  VAL 602          3HG2      VAL 602   1.452  -5.390   1.343
  282   HG22  VAL 602          1HG2      VAL 602   0.981  -4.729   2.918
  283   HG23  VAL 602          2HG2      VAL 602  -0.004  -5.984   2.165
  284    H    LEU 603           H        LEU 603  -1.454  -3.803   4.750
  285    HA   LEU 603           HA       LEU 603  -3.421  -6.003   4.391
  286    HB2  LEU 603           1HB      LEU 603  -1.924  -4.988   6.807
  287    HB3  LEU 603           2HB      LEU 603  -3.118  -6.279   6.844
  288    HG   LEU 603           HG       LEU 603  -0.422  -6.338   5.428
  289   HD11  LEU 603          1HD1      LEU 603  -1.623  -7.890   7.768
  290   HD12  LEU 603          2HD1      LEU 603  -0.374  -6.633   7.871
  291   HD13  LEU 603          3HD1      LEU 603  -0.023  -8.172   7.069
  292   HD21  LEU 603          3HD2      LEU 603  -2.646  -8.429   5.460
  293   HD22  LEU 603          1HD2      LEU 603  -0.975  -8.739   4.946
  294   HD23  LEU 603          2HD2      LEU 603  -1.969  -7.610   4.031
  295    H    CYS 604           H        CYS 604  -3.244  -2.734   5.859
  296    HA   CYS 604           HA       CYS 604  -6.173  -2.871   6.382
  297    HB2  CYS 604           1HB      CYS 604  -5.878  -1.651   8.395
  298    HB3  CYS 604           2HB      CYS 604  -5.022  -3.190   8.438
  299    H    LEU 605           H        LEU 605  -4.042  -1.263   4.508
  300    HA   LEU 605           HA       LEU 605  -4.203   0.508   3.127
  301    HB2  LEU 605           1HB      LEU 605  -7.146  -0.079   3.531
  302    HB3  LEU 605           2HB      LEU 605  -6.575   1.077   2.343
  303    HG   LEU 605           HG       LEU 605  -5.749  -1.852   2.353
  304   HD11  LEU 605          1HD1      LEU 605  -7.781  -0.365   0.632
  305   HD12  LEU 605          2HD1      LEU 605  -8.161  -1.558   1.894
  306   HD13  LEU 605          3HD1      LEU 605  -7.283  -2.062   0.443
  307   HD21  LEU 605          3HD2      LEU 605  -5.352   0.420   0.345
  308   HD22  LEU 605          1HD2      LEU 605  -5.055  -1.297  -0.009
  309   HD23  LEU 605          2HD2      LEU 605  -4.087  -0.477   1.212
  310    H    CYS 606           H        CYS 606  -3.695   1.245   5.766
  311    HA   CYS 606           HA       CYS 606  -4.511   4.130   5.616
  312    HB2  CYS 606           1HB      CYS 606  -3.786   2.455   8.058
  313    HB3  CYS 606           2HB      CYS 606  -3.976   4.213   8.070
  314    HG   CYS 606           HG       CYS 606  -6.438   4.250   7.122
  315    H    ALA 607           H        ALA 607  -2.699   5.502   6.716
  316    HA   ALA 607           HA       ALA 607  -0.387   5.430   5.107
  317    HB1  ALA 607           1HB      ALA 607  -1.173   7.432   6.314
  318    HB2  ALA 607           2HB      ALA 607  -0.765   6.667   7.868
  319    HB3  ALA 607           3HB      ALA 607   0.519   7.072   6.709
  320    H    TYR 608           H        TYR 608   1.562   4.471   5.231
  321    HA   TYR 608           HA       TYR 608   1.756   1.968   6.372
  322    HB2  TYR 608           1HB      TYR 608   3.005   2.785   4.433
  323    HB3  TYR 608           2HB      TYR 608   3.986   3.816   5.463
  324    HD1  TYR 608           2HD      TYR 608   3.000   0.223   4.943
  325    HD2  TYR 608           1HD      TYR 608   6.045   2.978   6.280
  326    HE1  TYR 608           2HE      TYR 608   4.656  -1.623   4.972
  327    HE2  TYR 608           1HE      TYR 608   7.709   1.119   6.292
  328    HH   TYR 608           HH       TYR 608   6.884  -2.041   4.870
  329    H    HIS 609           H        HIS 609   2.354   1.081   8.221
  330    HA   HIS 609           HA       HIS 609   3.457   2.816  10.365
  331    HB2  HIS 609           1HB      HIS 609   1.920   1.753  11.911
  332    HB3  HIS 609           2HB      HIS 609   1.071   2.519  10.581
  333    HD1  HIS 609           1HD      HIS 609   2.158  -1.074  11.604
  334    HD2  HIS 609           2HD      HIS 609  -0.700   1.036   9.350
  335    HE1  HIS 609           1HE      HIS 609   0.485  -2.794  10.844
  336    H    GLY 610           H        GLY 610   4.805   0.761   8.585
  337    HA2  GLY 610           1HA      GLY 610   6.584  -0.711   8.780
  338    HA3  GLY 610           2HA      GLY 610   6.936   0.246  10.214
  339    H    SER 611           H        SER 611   7.210  -0.884  12.002
  340    HA   SER 611           HA       SER 611   6.554  -3.750  12.150
  341    HB2  SER 611           1HB      SER 611   7.952  -1.948  14.159
  342    HB3  SER 611           2HB      SER 611   7.918  -3.721  14.167
  343    HG   SER 611           HG       SER 611   9.845  -2.890  13.225
  344    H    GLU 612           H        GLU 612   4.695  -1.047  13.024
  345    HA   GLU 612           HA       GLU 612   3.539  -2.146  15.490
  346    HB2  GLU 612           1HB      GLU 612   2.538   0.067  13.659
  347    HB3  GLU 612           2HB      GLU 612   1.867  -0.366  15.230
  348    HG2  GLU 612           1HG      GLU 612   4.088   0.129  16.289
  349    HG3  GLU 612           2HG      GLU 612   4.677   0.703  14.727
  350    H    ASP 613           H        ASP 613   1.190  -2.697  15.654
  351    HA   ASP 613           HA       ASP 613   0.476  -4.654  13.594
  352    HB2  ASP 613           1HB      ASP 613   0.343  -5.052  16.085
  353    HB3  ASP 613           2HB      ASP 613  -1.031  -3.936  16.114
  354    H    CYS 614           H        CYS 614  -1.657  -4.837  12.734
  355    HA   CYS 614           HA       CYS 614  -2.583  -2.340  11.495
  356    HB2  CYS 614           1HB      CYS 614  -3.227  -5.285  11.085
  357    HB3  CYS 614           2HB      CYS 614  -4.000  -4.007  10.167
  358    H    ARG 615           H        ARG 615  -4.951  -2.173  11.026
  359    HA   ARG 615           HA       ARG 615  -6.455  -1.642  13.408
  360    HB2  ARG 615           1HB      ARG 615  -7.458  -1.916  10.540
  361    HB3  ARG 615           2HB      ARG 615  -8.306  -1.138  11.885
  362    HG2  ARG 615           1HG      ARG 615  -6.361   0.479  12.075
  363    HG3  ARG 615           2HG      ARG 615  -5.700  -0.214  10.587
  364    HD2  ARG 615           1HD      ARG 615  -8.423   1.136  10.876
  365    HD3  ARG 615           2HD      ARG 615  -6.977   1.876  10.215
  366    HE   ARG 615           HE       ARG 615  -7.058   0.450   8.291
  367   HH11  ARG 615          2HH1      ARG 615  -9.988   0.144  10.218
  368   HH12  ARG 615          1HH1      ARG 615 -10.881  -0.522   8.879
  369   HH21  ARG 615          1HH2      ARG 615  -8.216  -0.386   6.700
  370   HH22  ARG 615          2HH2      ARG 615  -9.907  -0.812   6.913
  371    H    ARG 616           H        ARG 616  -7.817  -2.801  14.573
  372    HA   ARG 616           HA       ARG 616  -9.044  -5.325  13.694
  373    HB2  ARG 616           1HB      ARG 616  -7.945  -6.707  15.379
  374    HB3  ARG 616           2HB      ARG 616  -6.774  -6.034  14.255
  375    HG2  ARG 616           1HG      ARG 616  -6.279  -4.221  15.996
  376    HG3  ARG 616           2HG      ARG 616  -7.273  -5.140  17.133
  377    HD2  ARG 616           1HD      ARG 616  -4.839  -6.195  15.636
  378    HD3  ARG 616           2HD      ARG 616  -4.807  -5.578  17.295
  379    HE   ARG 616           HE       ARG 616  -6.748  -7.565  17.345
  380   HH11  ARG 616          1HH1      ARG 616  -3.311  -7.515  16.575
  381   HH12  ARG 616          2HH1      ARG 616  -3.110  -9.189  17.045
  382   HH21  ARG 616          1HH2      ARG 616  -6.398  -9.686  17.914
  383   HH22  ARG 616          2HH2      ARG 616  -4.806 -10.371  17.788
  384    H    GLY 617           H        GLY 617 -10.419  -6.293  15.308
  385    HA2  GLY 617           1HA      GLY 617 -12.086  -6.282  16.921
  386    HA3  GLY 617           2HA      GLY 617 -11.238  -4.976  17.749
  Start of MODEL    7
    1    H    THR 566           1H       THR 566   7.255  -6.136 -15.208
    2    HA   THR 566           HA       THR 566   5.321  -4.805 -13.434
    3    HB   THR 566           HB       THR 566   3.654  -5.990 -14.961
    4    HG1  THR 566           1HG      THR 566   4.413  -6.496 -17.000
    5   HG21  THR 566          1HG2      THR 566   5.343  -3.828 -16.299
    6   HG22  THR 566          2HG2      THR 566   4.076  -3.534 -15.082
    7   HG23  THR 566          3HG2      THR 566   3.654  -4.248 -16.644
    8    H    ASP 567           H        ASP 567   3.698  -6.311 -12.512
    9    HA   ASP 567           HA       ASP 567   4.515  -9.125 -12.234
   10    HB2  ASP 567           1HB      ASP 567   5.711  -7.830 -10.431
   11    HB3  ASP 567           2HB      ASP 567   4.140  -7.313  -9.817
   12    H    GLU 568           H        GLU 568   2.842 -10.398 -11.092
   13    HA   GLU 568           HA       GLU 568   0.262  -9.753 -12.282
   14    HB2  GLU 568           1HB      GLU 568   1.244 -12.194 -10.752
   15    HB3  GLU 568           2HB      GLU 568  -0.307 -12.082 -11.573
   16    HG2  GLU 568           1HG      GLU 568   2.421 -11.920 -12.925
   17    HG3  GLU 568           2HG      GLU 568   1.366 -13.322 -12.894
   18    H    ALA 569           H        ALA 569   1.229  -8.477  -9.704
   19    HA   ALA 569           HA       ALA 569  -1.416  -8.182  -8.502
   20    HB1  ALA 569           1HB      ALA 569   0.986  -9.003  -6.807
   21    HB2  ALA 569           2HB      ALA 569  -0.570  -8.432  -6.183
   22    HB3  ALA 569           3HB      ALA 569  -0.488  -9.969  -7.080
   23    H    LEU 570           H        LEU 570  -1.733  -6.111  -8.387
   24    HA   LEU 570           HA       LEU 570   0.157  -4.273  -7.120
   25    HB2  LEU 570           1HB      LEU 570  -1.050  -3.744  -9.868
   26    HB3  LEU 570           2HB      LEU 570  -0.321  -2.501  -8.857
   27    HG   LEU 570           HG       LEU 570   1.185  -4.920  -9.954
   28   HD11  LEU 570          1HD1      LEU 570   1.199  -2.028 -10.834
   29   HD12  LEU 570          2HD1      LEU 570   0.473  -3.400 -11.720
   30   HD13  LEU 570          3HD1      LEU 570   2.228  -3.345 -11.460
   31   HD21  LEU 570          3HD2      LEU 570   2.186  -2.365  -8.627
   32   HD22  LEU 570          1HD2      LEU 570   3.204  -3.652  -9.315
   33   HD23  LEU 570          2HD2      LEU 570   2.206  -3.992  -7.905
   34    H    LYS 571           H        LYS 571  -0.973  -3.166  -5.595
   35    HA   LYS 571           HA       LYS 571  -3.900  -3.477  -5.575
   36    HB2  LYS 571           1HB      LYS 571  -2.130  -2.339  -3.388
   37    HB3  LYS 571           2HB      LYS 571  -3.832  -2.728  -3.269
   38    HG2  LYS 571           1HG      LYS 571  -3.118  -5.155  -3.972
   39    HG3  LYS 571           2HG      LYS 571  -1.493  -4.635  -3.485
   40    HD2  LYS 571           1HD      LYS 571  -2.460  -3.990  -1.229
   41    HD3  LYS 571           2HD      LYS 571  -4.025  -4.626  -1.777
   42    HE2  LYS 571           1HE      LYS 571  -2.745  -6.825  -2.284
   43    HE3  LYS 571           2HE      LYS 571  -1.433  -6.155  -1.320
   44    HZ1  LYS 571           3HZ      LYS 571  -2.889  -7.515   0.046
   45    HZ2  LYS 571           1HZ      LYS 571  -4.209  -6.654  -0.370
   46    HZ3  LYS 571           2HZ      LYS 571  -3.050  -5.968   0.556
   47    HA   PRO 572           HA       PRO 572  -4.766   0.787  -6.612
   48    HB2  PRO 572           1HB      PRO 572  -7.225   1.130  -5.468
   49    HB3  PRO 572           2HB      PRO 572  -6.957   0.181  -6.946
   50    HG2  PRO 572           1HG      PRO 572  -7.254  -0.797  -4.090
   51    HG3  PRO 572           2HG      PRO 572  -7.991  -1.478  -5.573
   52    HD2  PRO 572           1HD      PRO 572  -5.704  -2.491  -4.392
   53    HD3  PRO 572           2HD      PRO 572  -5.997  -2.585  -6.155
   54    H    CYS 573           H        CYS 573  -4.124   2.629  -5.728
   55    HA   CYS 573           HA       CYS 573  -3.247   3.093  -3.118
   56    HB2  CYS 573           1HB      CYS 573  -2.612   4.335  -5.102
   57    HB3  CYS 573           2HB      CYS 573  -4.265   4.848  -5.367
   58    HA   PRO 574           HA       PRO 574  -7.178   3.527  -0.977
   59    HB2  PRO 574           1HB      PRO 574  -6.259   4.389   1.472
   60    HB3  PRO 574           2HB      PRO 574  -6.037   2.719   0.859
   61    HG2  PRO 574           1HG      PRO 574  -4.129   5.051   0.679
   62    HG3  PRO 574           2HG      PRO 574  -3.772   3.389   1.287
   63    HD2  PRO 574           1HD      PRO 574  -3.154   4.121  -1.211
   64    HD3  PRO 574           2HD      PRO 574  -3.807   2.486  -0.865
   65    H    ARG 575           H        ARG 575  -5.153   6.170  -1.880
   66    HA   ARG 575           HA       ARG 575  -7.138   8.252  -1.048
   67    HB2  ARG 575           1HB      ARG 575  -4.382   8.338  -2.301
   68    HB3  ARG 575           2HB      ARG 575  -5.445   9.737  -2.298
   69    HG2  ARG 575           1HG      ARG 575  -5.582   9.609   0.196
   70    HG3  ARG 575           2HG      ARG 575  -4.309   8.362   0.162
   71    HD2  ARG 575           1HD      ARG 575  -2.780   9.901  -0.961
   72    HD3  ARG 575           2HD      ARG 575  -4.054  11.109  -1.157
   73    HE   ARG 575           HE       ARG 575  -3.888  10.685   1.593
   74   HH11  ARG 575          1HH1      ARG 575  -1.615  11.780  -0.852
   75   HH12  ARG 575          2HH1      ARG 575  -0.811  12.856   0.247
   76   HH21  ARG 575          1HH2      ARG 575  -2.811  12.096   2.943
   77   HH22  ARG 575          2HH2      ARG 575  -1.463  13.016   2.345
   78    H    CYS 576           H        CYS 576  -5.640   7.015  -4.055
   79    HA   CYS 576           HA       CYS 576  -7.808   8.371  -5.599
   80    HB2  CYS 576           1HB      CYS 576  -6.230   9.241  -7.098
   81    HB3  CYS 576           2HB      CYS 576  -5.665   9.627  -5.475
   82    H    GLN 577           H        GLN 577  -6.683   5.359  -4.978
   83    HA   GLN 577           HA       GLN 577  -7.018   3.352  -5.818
   84    HB2  GLN 577           1HB      GLN 577  -9.191   4.691  -7.442
   85    HB3  GLN 577           2HB      GLN 577  -9.061   2.961  -7.177
   86    HG2  GLN 577           1HG      GLN 577  -9.332   4.898  -4.841
   87    HG3  GLN 577           2HG      GLN 577 -10.713   4.287  -5.734
   88   HE21  GLN 577          1HE2      GLN 577  -7.994   3.243  -3.612
   89   HE22  GLN 577          2HE2      GLN 577  -8.795   1.736  -3.171
   90    H    SER 578           H        SER 578  -5.226   5.253  -7.579
   91    HA   SER 578           HA       SER 578  -5.055   3.693 -10.060
   92    HB2  SER 578           1HB      SER 578  -3.496   5.936  -8.805
   93    HB3  SER 578           2HB      SER 578  -2.684   4.959 -10.023
   94    HG   SER 578           HG       SER 578  -4.304   5.434 -11.507
   95    HA   PRO 579           HA       PRO 579  -2.708   0.311  -8.463
   96    HB2  PRO 579           1HB      PRO 579  -1.007  -0.371 -10.508
   97    HB3  PRO 579           2HB      PRO 579  -2.765  -0.683 -10.535
   98    HG2  PRO 579           1HG      PRO 579  -1.260   1.666 -11.727
   99    HG3  PRO 579           2HG      PRO 579  -2.498   0.638 -12.528
  100    HD2  PRO 579           1HD      PRO 579  -3.146   3.036 -11.454
  101    HD3  PRO 579           2HD      PRO 579  -4.251   1.637 -11.260
  102    H    ALA 580           H        ALA 580  -1.476   0.748  -6.859
  103    HA   ALA 580           HA       ALA 580   0.876   2.507  -6.919
  104    HB1  ALA 580           1HB      ALA 580  -0.647   2.524  -5.012
  105    HB2  ALA 580           2HB      ALA 580  -0.403   0.775  -4.766
  106    HB3  ALA 580           3HB      ALA 580   0.931   1.902  -4.490
  107    H    LYS 581           H        LYS 581   3.017   1.842  -6.499
  108    HA   LYS 581           HA       LYS 581   3.898  -0.694  -7.601
  109    HB2  LYS 581           1HB      LYS 581   5.223   1.505  -7.538
  110    HB3  LYS 581           2HB      LYS 581   5.526   1.165  -5.818
  111    HG2  LYS 581           1HG      LYS 581   6.545  -1.024  -6.450
  112    HG3  LYS 581           2HG      LYS 581   6.251  -0.651  -8.159
  113    HD2  LYS 581           1HD      LYS 581   7.731   1.364  -7.948
  114    HD3  LYS 581           2HD      LYS 581   7.992   0.968  -6.246
  115    HE2  LYS 581           1HE      LYS 581   9.901   0.153  -7.379
  116    HE3  LYS 581           2HE      LYS 581   8.934  -1.266  -6.965
  117    HZ1  LYS 581           3HZ      LYS 581   9.757  -1.350  -9.258
  118    HZ2  LYS 581           1HZ      LYS 581   9.000   0.041  -9.640
  119    HZ3  LYS 581           2HZ      LYS 581   8.128  -1.295  -9.274
  120    H    TYR 582           H        TYR 582   3.487  -2.530  -6.622
  121    HA   TYR 582           HA       TYR 582   2.864  -2.633  -3.783
  122    HB2  TYR 582           1HB      TYR 582   1.495  -3.729  -5.558
  123    HB3  TYR 582           2HB      TYR 582   2.874  -4.755  -5.932
  124    HD1  TYR 582           2HD      TYR 582   1.725  -3.921  -2.462
  125    HD2  TYR 582           1HD      TYR 582   1.810  -6.779  -5.679
  126    HE1  TYR 582           2HE      TYR 582   0.920  -5.679  -0.910
  127    HE2  TYR 582           1HE      TYR 582   0.959  -8.555  -4.117
  128    HH   TYR 582           HH       TYR 582   0.230  -9.023  -1.982
  129    H    GLN 583           H        GLN 583   4.043  -3.471  -2.170
  130    HA   GLN 583           HA       GLN 583   6.632  -4.844  -2.756
  131    HB2  GLN 583           1HB      GLN 583   6.152  -2.914  -0.486
  132    HB3  GLN 583           2HB      GLN 583   7.681  -3.533  -1.092
  133    HG2  GLN 583           1HG      GLN 583   7.190  -2.170  -3.250
  134    HG3  GLN 583           2HG      GLN 583   5.843  -1.453  -2.367
  135   HE21  GLN 583          1HE2      GLN 583   7.579   0.338  -3.272
  136   HE22  GLN 583          2HE2      GLN 583   8.609   0.917  -1.969
  137    HA   PRO 584           HA       PRO 584   3.744  -7.352  -0.039
  138    HB2  PRO 584           1HB      PRO 584   4.323  -9.833  -1.139
  139    HB3  PRO 584           2HB      PRO 584   3.069  -8.720  -1.743
  140    HG2  PRO 584           1HG      PRO 584   5.898  -9.062  -2.760
  141    HG3  PRO 584           2HG      PRO 584   4.382  -8.963  -3.711
  142    HD2  PRO 584           1HD      PRO 584   5.987  -6.823  -3.402
  143    HD3  PRO 584           2HD      PRO 584   4.209  -6.639  -3.363
  144    H    HIS 585           H        HIS 585   7.160  -7.761  -0.842
  145    HA   HIS 585           HA       HIS 585   7.908  -9.414   1.416
  146    HB2  HIS 585           1HB      HIS 585  10.174  -8.852   0.722
  147    HB3  HIS 585           2HB      HIS 585   9.198  -9.324  -0.661
  148    HD2  HIS 585           2HD      HIS 585  11.903  -7.242  -0.325
  149    HE1  HIS 585           1HE      HIS 585   9.318  -4.678  -2.545
  150    HE2  HIS 585           2HE      HIS 585  11.730  -5.103  -1.856
  151    H    LYS 586           H        LYS 586   7.170  -6.058   1.121
  152    HA   LYS 586           HA       LYS 586   8.216  -5.482   3.879
  153    HB2  LYS 586           1HB      LYS 586   7.895  -3.619   1.487
  154    HB3  LYS 586           2HB      LYS 586   8.342  -3.106   3.119
  155    HG2  LYS 586           1HG      LYS 586  10.356  -4.548   3.039
  156    HG3  LYS 586           2HG      LYS 586   9.960  -5.010   1.374
  157    HD2  LYS 586           1HD      LYS 586  10.080  -2.646   0.670
  158    HD3  LYS 586           2HD      LYS 586  10.503  -2.157   2.317
  159    HE2  LYS 586           1HE      LYS 586  12.125  -4.088   0.587
  160    HE3  LYS 586           2HE      LYS 586  12.443  -2.355   0.707
  161    HZ1  LYS 586           3HZ      LYS 586  12.588  -4.267   2.978
  162    HZ2  LYS 586           1HZ      LYS 586  12.847  -2.655   3.095
  163    HZ3  LYS 586           2HZ      LYS 586  13.860  -3.585   2.223
  164    H    LYS 587           H        LYS 587   5.445  -6.257   2.423
  165    HA   LYS 587           HA       LYS 587   3.245  -5.696   2.422
  166    HB2  LYS 587           1HB      LYS 587   4.032  -5.613   5.338
  167    HB3  LYS 587           2HB      LYS 587   2.357  -5.283   4.874
  168    HG2  LYS 587           1HG      LYS 587   2.109  -7.375   3.754
  169    HG3  LYS 587           2HG      LYS 587   3.828  -7.767   3.928
  170    HD2  LYS 587           1HD      LYS 587   3.650  -8.058   6.282
  171    HD3  LYS 587           2HD      LYS 587   2.032  -7.328   6.343
  172    HE2  LYS 587           1HE      LYS 587   1.034  -9.157   5.160
  173    HE3  LYS 587           2HE      LYS 587   2.608  -9.819   4.696
  174    HZ1  LYS 587           3HZ      LYS 587   3.036 -10.364   7.013
  175    HZ2  LYS 587           1HZ      LYS 587   1.635 -11.056   6.557
  176    HZ3  LYS 587           2HZ      LYS 587   1.616  -9.723   7.500
  177    H    ARG 588           H        ARG 588   4.613  -3.721   1.360
  178    HA   ARG 588           HA       ARG 588   3.320  -1.179   2.299
  179    HB2  ARG 588           1HB      ARG 588   5.775  -1.490   2.816
  180    HB3  ARG 588           2HB      ARG 588   6.101  -1.487   1.100
  181    HG2  ARG 588           1HG      ARG 588   5.326   0.812   0.913
  182    HG3  ARG 588           2HG      ARG 588   4.777   0.804   2.604
  183    HD2  ARG 588           1HD      ARG 588   7.108   0.381   3.340
  184    HD3  ARG 588           2HD      ARG 588   7.649   0.347   1.686
  185    HE   ARG 588           HE       ARG 588   6.219   2.805   2.503
  186   HH11  ARG 588          1HH1      ARG 588   9.417   1.362   2.261
  187   HH12  ARG 588          2HH1      ARG 588  10.220   2.886   2.527
  188   HH21  ARG 588          1HH2      ARG 588   7.288   4.649   2.961
  189   HH22  ARG 588          2HH2      ARG 588   9.037   4.728   2.869
  190    H    GLY 589           H        GLY 589   2.686   0.318   0.736
  191    HA2  GLY 589           1HA      GLY 589   2.994  -0.412  -2.135
  192    HA3  GLY 589           2HA      GLY 589   1.376  -0.129  -1.503
  193    H    LEU 590           H        LEU 590   3.464   1.299  -3.394
  194    HA   LEU 590           HA       LEU 590   3.224   4.055  -2.247
  195    HB2  LEU 590           1HB      LEU 590   5.416   2.893  -4.002
  196    HB3  LEU 590           2HB      LEU 590   5.243   4.598  -3.598
  197    HG   LEU 590           HG       LEU 590   5.877   2.333  -1.668
  198   HD11  LEU 590          1HD1      LEU 590   7.980   3.545  -1.377
  199   HD12  LEU 590          2HD1      LEU 590   7.437   4.818  -2.492
  200   HD13  LEU 590          3HD1      LEU 590   7.737   3.174  -3.094
  201   HD21  LEU 590          3HD2      LEU 590   5.137   5.239  -1.145
  202   HD22  LEU 590          1HD2      LEU 590   6.156   4.284  -0.017
  203   HD23  LEU 590          2HD2      LEU 590   4.526   3.752  -0.391
  204    H    CYS 591           H        CYS 591   1.993   5.444  -3.314
  205    HA   CYS 591           HA       CYS 591   0.545   4.699  -5.605
  206    HB2  CYS 591           1HB      CYS 591  -0.095   6.384  -3.871
  207    HB3  CYS 591           2HB      CYS 591   1.054   7.519  -4.640
  208    H    SER 592           H        SER 592   0.562   5.239  -7.717
  209    HA   SER 592           HA       SER 592   3.151   5.822  -9.004
  210    HB2  SER 592           1HB      SER 592   1.649   3.988  -9.752
  211    HB3  SER 592           2HB      SER 592   0.440   5.196 -10.229
  212    HG   SER 592           HG       SER 592   1.800   4.503 -11.973
  213    H    ARG 593           H        ARG 593   0.231   7.590  -8.185
  214    HA   ARG 593           HA       ARG 593   0.585   9.687 -10.220
  215    HB2  ARG 593           1HB      ARG 593  -1.625   9.003  -9.615
  216    HB3  ARG 593           2HB      ARG 593  -1.348   9.293  -7.904
  217    HG2  ARG 593           1HG      ARG 593  -1.011  11.750  -8.435
  218    HG3  ARG 593           2HG      ARG 593  -1.336  11.382 -10.111
  219    HD2  ARG 593           1HD      ARG 593  -3.148  11.898  -7.874
  220    HD3  ARG 593           2HD      ARG 593  -3.453  12.058  -9.591
  221    HE   ARG 593           HE       ARG 593  -4.082   9.780  -7.828
  222   HH11  ARG 593          1HH1      ARG 593  -3.745  10.566 -11.250
  223   HH12  ARG 593          2HH1      ARG 593  -4.654   9.146 -11.700
  224   HH21  ARG 593          1HH2      ARG 593  -5.091   8.109  -8.450
  225   HH22  ARG 593          2HH2      ARG 593  -5.187   7.645 -10.124
  226    H    LEU 594           H        LEU 594   2.008  11.263 -10.037
  227    HA   LEU 594           HA       LEU 594   3.662  11.615  -7.746
  228    HB2  LEU 594           1HB      LEU 594   3.255  13.449 -10.145
  229    HB3  LEU 594           2HB      LEU 594   4.597  13.537  -9.008
  230    HG   LEU 594           HG       LEU 594   4.025  11.209 -10.896
  231   HD11  LEU 594          1HD1      LEU 594   6.226  13.313 -10.903
  232   HD12  LEU 594          2HD1      LEU 594   4.841  13.249 -12.016
  233   HD13  LEU 594          3HD1      LEU 594   6.055  11.961 -12.045
  234   HD21  LEU 594          3HD2      LEU 594   6.338  11.658  -8.958
  235   HD22  LEU 594          1HD2      LEU 594   6.280  10.401 -10.215
  236   HD23  LEU 594          2HD2      LEU 594   5.126  10.355  -8.880
  237    H    ALA 595           H        ALA 595   0.755  13.401  -8.696
  238    HA   ALA 595           HA       ALA 595   1.041  15.483  -6.699
  239    HB1  ALA 595           1HB      ALA 595  -1.257  16.044  -7.373
  240    HB2  ALA 595           2HB      ALA 595  -0.235  15.759  -8.794
  241    HB3  ALA 595           3HB      ALA 595  -1.392  14.512  -8.262
  242    H    CYS 596           H        CYS 596   0.023  12.199  -6.492
  243    HA   CYS 596           HA       CYS 596  -1.552  12.529  -3.997
  244    HB2  CYS 596           1HB      CYS 596  -2.478  11.229  -5.815
  245    HB3  CYS 596           2HB      CYS 596  -1.009  10.259  -5.930
  246    H    GLY 597           H        GLY 597   1.062  10.446  -5.227
  247    HA2  GLY 597           1HA      GLY 597   2.959   9.525  -4.280
  248    HA3  GLY 597           2HA      GLY 597   3.131  11.120  -3.540
  249    H    PHE 598           H        PHE 598   1.108   8.174  -2.974
  250    HA   PHE 598           HA       PHE 598   1.220   8.749  -0.076
  251    HB2  PHE 598           1HB      PHE 598  -0.973   8.743  -1.306
  252    HB3  PHE 598           2HB      PHE 598  -0.810   7.012  -1.543
  253    HD1  PHE 598           1HD      PHE 598  -0.565   9.619   1.193
  254    HD2  PHE 598           2HD      PHE 598  -1.780   5.628   0.141
  255    HE1  PHE 598           1HE      PHE 598  -1.545   9.327   3.460
  256    HE2  PHE 598           2HE      PHE 598  -2.748   5.342   2.434
  257    HZ   PHE 598           HZ       PHE 598  -2.679   7.170   4.052
  258    H    ASP 599           H        ASP 599   1.342   7.053   1.438
  259    HA   ASP 599           HA       ASP 599   2.886   4.651   0.586
  260    HB2  ASP 599           1HB      ASP 599   4.428   6.468   1.211
  261    HB3  ASP 599           2HB      ASP 599   3.583   6.689   2.743
  262    H    PHE 600           H        PHE 600   1.583   3.014   1.130
  263    HA   PHE 600           HA       PHE 600   0.099   3.168   3.715
  264    HB2  PHE 600           1HB      PHE 600  -1.859   2.331   2.644
  265    HB3  PHE 600           2HB      PHE 600  -1.294   3.778   1.851
  266    HD1  PHE 600           1HD      PHE 600  -0.407   3.747  -0.445
  267    HD2  PHE 600           2HD      PHE 600  -1.879   0.175   1.462
  268    HE1  PHE 600           1HE      PHE 600  -0.674   2.679  -2.653
  269    HE2  PHE 600           2HE      PHE 600  -2.128  -0.910  -0.758
  270    HZ   PHE 600           HZ       PHE 600  -1.548   0.343  -2.822
  271    H    CYS 601           H        CYS 601  -0.665   1.367   4.665
  272    HA   CYS 601           HA       CYS 601   0.980  -1.054   4.583
  273    HB2  CYS 601           1HB      CYS 601   0.246  -0.096   6.712
  274    HB3  CYS 601           2HB      CYS 601  -1.436  -0.132   6.177
  275    H    VAL 602           H        VAL 602   0.510  -2.767   3.346
  276    HA   VAL 602           HA       VAL 602  -1.850  -2.706   1.621
  277    HB   VAL 602           HB       VAL 602  -0.911  -4.588   0.457
  278   HG11  VAL 602          1HG1      VAL 602   1.185  -2.516   1.165
  279   HG12  VAL 602          2HG1      VAL 602   1.222  -3.577  -0.250
  280   HG13  VAL 602          3HG1      VAL 602  -0.064  -2.381  -0.088
  281   HG21  VAL 602          3HG2      VAL 602   1.395  -5.444   1.231
  282   HG22  VAL 602          1HG2      VAL 602   0.946  -4.810   2.827
  283   HG23  VAL 602          2HG2      VAL 602  -0.042  -6.056   2.067
  284    H    LEU 603           H        LEU 603  -1.596  -3.814   4.725
  285    HA   LEU 603           HA       LEU 603  -3.523  -6.062   4.354
  286    HB2  LEU 603           1HB      LEU 603  -2.017  -5.074   6.779
  287    HB3  LEU 603           2HB      LEU 603  -3.211  -6.365   6.800
  288    HG   LEU 603           HG       LEU 603  -0.519  -6.404   5.375
  289   HD11  LEU 603          1HD1      LEU 603  -0.103  -8.244   7.000
  290   HD12  LEU 603          2HD1      LEU 603  -1.702  -7.977   7.710
  291   HD13  LEU 603          3HD1      LEU 603  -0.459  -6.713   7.817
  292   HD21  LEU 603          3HD2      LEU 603  -1.071  -8.803   4.879
  293   HD22  LEU 603          1HD2      LEU 603  -2.073  -7.670   3.978
  294   HD23  LEU 603          2HD2      LEU 603  -2.738  -8.500   5.406
  295    H    CYS 604           H        CYS 604  -3.341  -2.804   5.856
  296    HA   CYS 604           HA       CYS 604  -6.274  -2.940   6.360
  297    HB2  CYS 604           1HB      CYS 604  -5.979  -1.546   8.286
  298    HB3  CYS 604           2HB      CYS 604  -5.182  -3.111   8.440
  299    H    LEU 605           H        LEU 605  -4.153  -1.426   4.387
  300    HA   LEU 605           HA       LEU 605  -4.266   0.323   2.967
  301    HB2  LEU 605           1HB      LEU 605  -7.226  -0.226   3.320
  302    HB3  LEU 605           2HB      LEU 605  -6.611   0.893   2.118
  303    HG   LEU 605           HG       LEU 605  -5.860  -2.055   2.219
  304   HD11  LEU 605          1HD1      LEU 605  -7.327  -2.261   0.259
  305   HD12  LEU 605          2HD1      LEU 605  -7.771  -0.544   0.387
  306   HD13  LEU 605          3HD1      LEU 605  -8.241  -1.690   1.662
  307   HD21  LEU 605          3HD2      LEU 605  -5.064  -1.576  -0.131
  308   HD22  LEU 605          1HD2      LEU 605  -4.106  -0.775   1.113
  309   HD23  LEU 605          2HD2      LEU 605  -5.303   0.159   0.186
  310    H    CYS 606           H        CYS 606  -3.827   1.056   5.620
  311    HA   CYS 606           HA       CYS 606  -4.714   3.920   5.558
  312    HB2  CYS 606           1HB      CYS 606  -3.939   2.183   7.940
  313    HB3  CYS 606           2HB      CYS 606  -4.276   3.920   8.011
  314    HG   CYS 606           HG       CYS 606  -6.290   1.516   6.915
  315    H    ALA 607           H        ALA 607  -2.950   5.311   6.719
  316    HA   ALA 607           HA       ALA 607  -0.617   5.339   5.140
  317    HB1  ALA 607           1HB      ALA 607   0.223   6.970   6.787
  318    HB2  ALA 607           2HB      ALA 607  -1.471   7.289   6.373
  319    HB3  ALA 607           3HB      ALA 607  -1.065   6.506   7.920
  320    H    TYR 608           H        TYR 608   1.345   4.416   5.248
  321    HA   TYR 608           HA       TYR 608   1.595   1.901   6.340
  322    HB2  TYR 608           1HB      TYR 608   2.836   2.780   4.424
  323    HB3  TYR 608           2HB      TYR 608   3.788   3.813   5.479
  324    HD1  TYR 608           1HD      TYR 608   2.880   0.203   4.921
  325    HD2  TYR 608           2HD      TYR 608   5.875   3.017   6.246
  326    HE1  TYR 608           1HE      TYR 608   4.575  -1.609   4.933
  327    HE2  TYR 608           2HE      TYR 608   7.578   1.194   6.241
  328    HH   TYR 608           HH       TYR 608   6.826  -1.974   4.813
  329    H    HIS 609           H        HIS 609   2.288   0.953   8.124
  330    HA   HIS 609           HA       HIS 609   3.485   2.593  10.298
  331    HB2  HIS 609           1HB      HIS 609   2.053   1.448  11.889
  332    HB3  HIS 609           2HB      HIS 609   1.123   2.305  10.673
  333    HD1  HIS 609           1HD      HIS 609   2.204  -1.350  11.416
  334    HD2  HIS 609           2HD      HIS 609  -0.743   0.926   9.461
  335    HE1  HIS 609           1HE      HIS 609   0.439  -3.001  10.683
  336    H    GLY 610           H        GLY 610   4.763   0.696   8.328
  337    HA2  GLY 610           1HA      GLY 610   6.583  -0.727   8.351
  338    HA3  GLY 610           2HA      GLY 610   6.913   0.016   9.910
  339    H    SER 611           H        SER 611   7.249  -1.400  11.466
  340    HA   SER 611           HA       SER 611   6.403  -4.231  11.207
  341    HB2  SER 611           1HB      SER 611   8.236  -2.874  13.216
  342    HB3  SER 611           2HB      SER 611   7.935  -4.615  13.093
  343    HG   SER 611           HG       SER 611   9.092  -2.949  11.083
  344    H    GLU 612           H        GLU 612   4.824  -1.599  12.534
  345    HA   GLU 612           HA       GLU 612   3.899  -2.860  15.016
  346    HB2  GLU 612           1HB      GLU 612   2.823  -0.463  13.484
  347    HB3  GLU 612           2HB      GLU 612   2.255  -0.990  15.059
  348    HG2  GLU 612           1HG      GLU 612   5.030   0.035  14.412
  349    HG3  GLU 612           2HG      GLU 612   3.752   0.859  15.309
  350    H    ASP 613           H        ASP 613   1.508  -2.979  15.390
  351    HA   ASP 613           HA       ASP 613   0.373  -4.974  13.520
  352    HB2  ASP 613           1HB      ASP 613  -0.537  -3.995  16.248
  353    HB3  ASP 613           2HB      ASP 613  -1.384  -5.205  15.287
  354    H    CYS 614           H        CYS 614  -1.552  -4.817  12.419
  355    HA   CYS 614           HA       CYS 614  -2.489  -2.247  11.575
  356    HB2  CYS 614           1HB      CYS 614  -3.574  -5.067  11.205
  357    HB3  CYS 614           2HB      CYS 614  -4.201  -3.656  10.369
  358    H    ARG 615           H        ARG 615  -4.780  -1.697  11.497
  359    HA   ARG 615           HA       ARG 615  -5.716  -0.928  14.046
  360    HB2  ARG 615           1HB      ARG 615  -7.220  -1.038  11.392
  361    HB3  ARG 615           2HB      ARG 615  -7.734  -0.137  12.825
  362    HG2  ARG 615           1HG      ARG 615  -5.643   1.229  12.715
  363    HG3  ARG 615           2HG      ARG 615  -5.137   0.324  11.281
  364    HD2  ARG 615           1HD      ARG 615  -6.055   2.409  10.562
  365    HD3  ARG 615           2HD      ARG 615  -7.146   1.103  10.066
  366    HE   ARG 615           HE       ARG 615  -7.968   2.186  12.607
  367   HH11  ARG 615          1HH1      ARG 615  -7.983   3.090   9.223
  368   HH12  ARG 615          2HH1      ARG 615  -9.399   4.094   9.404
  369   HH21  ARG 615          1HH2      ARG 615  -9.773   3.480  12.767
  370   HH22  ARG 615          2HH2      ARG 615 -10.373   4.311  11.364
  371    H    ARG 616           H        ARG 616  -7.447  -1.466  15.307
  372    HA   ARG 616           HA       ARG 616  -8.646  -4.208  15.020
  373    HB2  ARG 616           1HB      ARG 616  -7.768  -2.792  17.569
  374    HB3  ARG 616           2HB      ARG 616  -8.540  -4.366  17.493
  375    HG2  ARG 616           1HG      ARG 616  -5.761  -3.737  16.396
  376    HG3  ARG 616           2HG      ARG 616  -6.122  -4.448  17.959
  377    HD2  ARG 616           1HD      ARG 616  -5.497  -6.255  16.604
  378    HD3  ARG 616           2HD      ARG 616  -7.257  -6.374  16.772
  379    HE   ARG 616           HE       ARG 616  -6.552  -4.867  14.416
  380   HH11  ARG 616          1HH1      ARG 616  -6.527  -8.223  15.424
  381   HH12  ARG 616          2HH1      ARG 616  -6.767  -8.786  13.791
  382   HH21  ARG 616          2HH2      ARG 616  -6.940  -5.588  12.475
  383   HH22  ARG 616          1HH2      ARG 616  -6.969  -7.306  12.118
  384    H    GLY 617           H        GLY 617 -10.647  -4.543  16.125
  385    HA2  GLY 617           1HA      GLY 617 -12.341  -2.579  17.245
  386    HA3  GLY 617           2HA      GLY 617 -12.676  -2.609  15.513
  Start of MODEL    8
    1    H    THR 566           1H       THR 566  -1.833 -13.177 -19.205
    2    HA   THR 566           HA       THR 566   0.282 -13.095 -18.023
    3    HB   THR 566           HB       THR 566   1.293 -10.763 -17.803
    4    HG1  THR 566           1HG      THR 566   0.897  -9.379 -19.511
    5   HG21  THR 566          1HG2      THR 566   2.679 -10.957 -19.778
    6   HG22  THR 566          2HG2      THR 566   1.501 -12.018 -20.576
    7   HG23  THR 566          3HG2      THR 566   2.376 -12.574 -19.129
    8    H    ASP 567           H        ASP 567   0.473 -12.136 -15.865
    9    HA   ASP 567           HA       ASP 567  -1.821 -10.558 -14.875
   10    HB2  ASP 567           1HB      ASP 567  -2.540 -12.928 -14.729
   11    HB3  ASP 567           2HB      ASP 567  -1.080 -13.317 -13.817
   12    H    GLU 568           H        GLU 568  -1.373  -9.439 -12.952
   13    HA   GLU 568           HA       GLU 568   1.351  -9.627 -11.769
   14    HB2  GLU 568           1HB      GLU 568   0.111  -7.078 -12.889
   15    HB3  GLU 568           2HB      GLU 568   1.544  -7.145 -11.860
   16    HG2  GLU 568           1HG      GLU 568   2.693  -8.554 -13.576
   17    HG3  GLU 568           2HG      GLU 568   1.295  -8.366 -14.640
   18    H    ALA 569           H        ALA 569   1.563  -8.698  -9.699
   19    HA   ALA 569           HA       ALA 569  -0.951  -8.331  -8.152
   20    HB1  ALA 569           1HB      ALA 569   0.488 -10.162  -7.359
   21    HB2  ALA 569           2HB      ALA 569   1.862  -9.031  -7.223
   22    HB3  ALA 569           3HB      ALA 569   0.433  -8.812  -6.201
   23    H    LEU 570           H        LEU 570  -1.403  -6.268  -8.401
   24    HA   LEU 570           HA       LEU 570   0.275  -4.243  -7.090
   25    HB2  LEU 570           1HB      LEU 570  -0.828  -3.927  -9.911
   26    HB3  LEU 570           2HB      LEU 570  -0.214  -2.593  -8.937
   27    HG   LEU 570           HG       LEU 570   1.479  -4.992  -9.789
   28   HD11  LEU 570          1HD1      LEU 570   0.776  -3.710 -11.707
   29   HD12  LEU 570          2HD1      LEU 570   2.509  -3.524 -11.364
   30   HD13  LEU 570          3HD1      LEU 570   1.376  -2.211 -10.933
   31   HD21  LEU 570          3HD2      LEU 570   2.276  -2.263  -8.692
   32   HD22  LEU 570          1HD2      LEU 570   3.384  -3.577  -9.160
   33   HD23  LEU 570          2HD2      LEU 570   2.315  -3.787  -7.774
   34    H    LYS 571           H        LYS 571  -0.943  -3.144  -5.702
   35    HA   LYS 571           HA       LYS 571  -3.880  -3.486  -5.783
   36    HB2  LYS 571           1HB      LYS 571  -2.201  -2.361  -3.517
   37    HB3  LYS 571           2HB      LYS 571  -3.903  -2.773  -3.472
   38    HG2  LYS 571           1HG      LYS 571  -3.131  -5.187  -4.143
   39    HG3  LYS 571           2HG      LYS 571  -1.528  -4.647  -3.607
   40    HD2  LYS 571           1HD      LYS 571  -2.581  -4.006  -1.384
   41    HD3  LYS 571           2HD      LYS 571  -4.109  -4.689  -1.978
   42    HE2  LYS 571           1HE      LYS 571  -2.741  -6.850  -2.439
   43    HE3  LYS 571           2HE      LYS 571  -1.486  -6.136  -1.432
   44    HZ1  LYS 571           3HZ      LYS 571  -2.941  -7.537  -0.108
   45    HZ2  LYS 571           1HZ      LYS 571  -4.275  -6.727  -0.579
   46    HZ3  LYS 571           2HZ      LYS 571  -3.178  -5.992   0.382
   47    HA   PRO 572           HA       PRO 572  -4.610   0.781  -6.848
   48    HB2  PRO 572           1HB      PRO 572  -7.106   1.203  -5.822
   49    HB3  PRO 572           2HB      PRO 572  -6.793   0.233  -7.279
   50    HG2  PRO 572           1HG      PRO 572  -7.245  -0.711  -4.430
   51    HG3  PRO 572           2HG      PRO 572  -7.931  -1.388  -5.938
   52    HD2  PRO 572           1HD      PRO 572  -5.729  -2.449  -4.650
   53    HD3  PRO 572           2HD      PRO 572  -5.940  -2.544  -6.425
   54    H    CYS 573           H        CYS 573  -3.970   2.621  -5.965
   55    HA   CYS 573           HA       CYS 573  -3.233   3.124  -3.321
   56    HB2  CYS 573           1HB      CYS 573  -2.363   4.361  -5.134
   57    HB3  CYS 573           2HB      CYS 573  -3.957   4.777  -5.733
   58    HA   PRO 574           HA       PRO 574  -7.239   3.621  -1.388
   59    HB2  PRO 574           1HB      PRO 574  -6.443   4.516   1.090
   60    HB3  PRO 574           2HB      PRO 574  -6.168   2.843   0.509
   61    HG2  PRO 574           1HG      PRO 574  -4.282   5.195   0.392
   62    HG3  PRO 574           2HG      PRO 574  -3.938   3.545   1.038
   63    HD2  PRO 574           1HD      PRO 574  -3.212   4.245  -1.444
   64    HD3  PRO 574           2HD      PRO 574  -3.868   2.611  -1.102
   65    H    ARG 575           H        ARG 575  -5.185   6.262  -2.221
   66    HA   ARG 575           HA       ARG 575  -7.200   8.351  -1.476
   67    HB2  ARG 575           1HB      ARG 575  -4.382   8.417  -2.583
   68    HB3  ARG 575           2HB      ARG 575  -5.432   9.825  -2.646
   69    HG2  ARG 575           1HG      ARG 575  -5.701   9.711  -0.160
   70    HG3  ARG 575           2HG      ARG 575  -4.434   8.458  -0.123
   71    HD2  ARG 575           1HD      ARG 575  -2.845   9.985  -1.184
   72    HD3  ARG 575           2HD      ARG 575  -4.103  11.199  -1.439
   73    HE   ARG 575           HE       ARG 575  -4.060  10.775   1.316
   74   HH11  ARG 575          1HH1      ARG 575  -1.688  11.878  -1.032
   75   HH12  ARG 575          2HH1      ARG 575  -0.932  12.953   0.104
   76   HH21  ARG 575          1HH2      ARG 575  -3.042  12.186   2.712
   77   HH22  ARG 575          2HH2      ARG 575  -1.670  13.108   2.172
   78    H    CYS 576           H        CYS 576  -5.568   7.086  -4.392
   79    HA   CYS 576           HA       CYS 576  -7.646   8.447  -6.057
   80    HB2  CYS 576           1HB      CYS 576  -6.024   9.413  -7.384
   81    HB3  CYS 576           2HB      CYS 576  -5.434   9.647  -5.750
   82    H    GLN 577           H        GLN 577  -6.531   5.438  -5.385
   83    HA   GLN 577           HA       GLN 577  -6.775   3.429  -6.266
   84    HB2  GLN 577           1HB      GLN 577  -8.751   4.703  -8.168
   85    HB3  GLN 577           2HB      GLN 577  -8.628   2.987  -7.827
   86    HG2  GLN 577           1HG      GLN 577  -9.253   5.012  -5.632
   87    HG3  GLN 577           2HG      GLN 577 -10.481   4.307  -6.666
   88   HE21  GLN 577          1HE2      GLN 577  -7.997   3.431  -4.182
   89   HE22  GLN 577          2HE2      GLN 577  -8.837   1.946  -3.752
   90    H    SER 578           H        SER 578  -4.806   5.388  -7.710
   91    HA   SER 578           HA       SER 578  -4.205   4.185 -10.241
   92    HB2  SER 578           1HB      SER 578  -2.294   5.358  -8.172
   93    HB3  SER 578           2HB      SER 578  -1.909   5.011  -9.865
   94    HG   SER 578           HG       SER 578  -3.522   7.016  -8.763
   95    HA   PRO 579           HA       PRO 579  -2.422   0.241  -8.818
   96    HB2  PRO 579           1HB      PRO 579  -0.673  -0.340 -10.841
   97    HB3  PRO 579           2HB      PRO 579  -2.441  -0.513 -11.003
   98    HG2  PRO 579           1HG      PRO 579  -0.699   1.826 -11.842
   99    HG3  PRO 579           2HG      PRO 579  -1.950   0.990 -12.821
  100    HD2  PRO 579           1HD      PRO 579  -2.465   3.316 -11.514
  101    HD3  PRO 579           2HD      PRO 579  -3.702   2.025 -11.598
  102    H    ALA 580           H        ALA 580  -1.323   0.727  -7.039
  103    HA   ALA 580           HA       ALA 580   1.059   2.413  -6.972
  104    HB1  ALA 580           1HB      ALA 580   0.940   1.876  -4.539
  105    HB2  ALA 580           2HB      ALA 580  -0.600   2.477  -5.184
  106    HB3  ALA 580           3HB      ALA 580  -0.366   0.735  -4.878
  107    H    LYS 581           H        LYS 581   3.165   1.773  -6.492
  108    HA   LYS 581           HA       LYS 581   4.087  -0.772  -7.501
  109    HB2  LYS 581           1HB      LYS 581   5.392   1.442  -7.430
  110    HB3  LYS 581           2HB      LYS 581   5.673   1.107  -5.705
  111    HG2  LYS 581           1HG      LYS 581   6.714  -1.073  -6.313
  112    HG3  LYS 581           2HG      LYS 581   6.429  -0.718  -8.028
  113    HD2  LYS 581           1HD      LYS 581   7.897   1.306  -7.828
  114    HD3  LYS 581           2HD      LYS 581   8.152   0.926  -6.121
  115    HE2  LYS 581           1HE      LYS 581  10.071   0.111  -7.246
  116    HE3  LYS 581           2HE      LYS 581   9.110  -1.307  -6.813
  117    HZ1  LYS 581           3HZ      LYS 581   9.169  -0.038  -9.506
  118    HZ2  LYS 581           1HZ      LYS 581   8.306  -1.375  -9.120
  119    HZ3  LYS 581           2HZ      LYS 581   9.934  -1.419  -9.103
  120    H    TYR 582           H        TYR 582   3.634  -2.582  -6.525
  121    HA   TYR 582           HA       TYR 582   2.952  -2.694  -3.715
  122    HB2  TYR 582           1HB      TYR 582   1.680  -3.832  -5.546
  123    HB3  TYR 582           2HB      TYR 582   3.085  -4.840  -5.840
  124    HD1  TYR 582           2HD      TYR 582   1.669  -3.916  -2.484
  125    HD2  TYR 582           1HD      TYR 582   2.129  -6.904  -5.540
  126    HE1  TYR 582           2HE      TYR 582   0.799  -5.640  -0.921
  127    HE2  TYR 582           1HE      TYR 582   1.183  -8.638  -3.988
  128    HH   TYR 582           HH       TYR 582   0.299  -9.043  -1.897
  129    H    GLN 583           H        GLN 583   4.068  -3.505  -2.055
  130    HA   GLN 583           HA       GLN 583   6.698  -4.854  -2.510
  131    HB2  GLN 583           1HB      GLN 583   6.094  -2.907  -0.287
  132    HB3  GLN 583           2HB      GLN 583   7.657  -3.514  -0.815
  133    HG2  GLN 583           1HG      GLN 583   7.234  -2.181  -3.014
  134    HG3  GLN 583           2HG      GLN 583   5.857  -1.461  -2.182
  135   HE21  GLN 583          1HE2      GLN 583   7.566   0.343  -3.042
  136   HE22  GLN 583          2HE2      GLN 583   8.573   0.942  -1.731
  137    HA   PRO 584           HA       PRO 584   3.668  -7.342   0.072
  138    HB2  PRO 584           1HB      PRO 584   4.337  -9.842  -0.932
  139    HB3  PRO 584           2HB      PRO 584   3.126  -8.749  -1.650
  140    HG2  PRO 584           1HG      PRO 584   6.029  -9.084  -2.442
  141    HG3  PRO 584           2HG      PRO 584   4.588  -9.033  -3.508
  142    HD2  PRO 584           1HD      PRO 584   6.128  -6.858  -3.144
  143    HD3  PRO 584           2HD      PRO 584   4.348  -6.701  -3.216
  144    H    HIS 585           H        HIS 585   7.127  -7.780  -0.493
  145    HA   HIS 585           HA       HIS 585   7.730  -9.383   1.841
  146    HB2  HIS 585           1HB      HIS 585  10.037  -8.835   1.269
  147    HB3  HIS 585           2HB      HIS 585   9.143  -9.346  -0.153
  148    HD2  HIS 585           2HD      HIS 585  11.836  -7.287   0.233
  149    HE1  HIS 585           1HE      HIS 585   9.371  -4.735  -2.132
  150    HE2  HIS 585           2HE      HIS 585  11.750  -5.183  -1.351
  151    H    LYS 586           H        LYS 586   7.071  -6.018   1.405
  152    HA   LYS 586           HA       LYS 586   7.940  -5.380   4.212
  153    HB2  LYS 586           1HB      LYS 586   7.739  -3.572   1.764
  154    HB3  LYS 586           2HB      LYS 586   8.110  -3.026   3.405
  155    HG2  LYS 586           1HG      LYS 586  10.131  -4.461   3.447
  156    HG3  LYS 586           2HG      LYS 586   9.805  -4.968   1.778
  157    HD2  LYS 586           1HD      LYS 586  10.000  -2.634   1.005
  158    HD3  LYS 586           2HD      LYS 586  10.300  -2.098   2.676
  159    HE2  LYS 586           1HE      LYS 586  12.316  -3.556   2.771
  160    HE3  LYS 586           2HE      LYS 586  12.020  -4.076   1.108
  161    HZ1  LYS 586           3HZ      LYS 586  12.326  -1.750   0.408
  162    HZ2  LYS 586           1HZ      LYS 586  13.655  -2.284   1.190
  163    HZ3  LYS 586           2HZ      LYS 586  12.615  -1.285   1.949
  164    H    LYS 587           H        LYS 587   5.260  -6.192   2.608
  165    HA   LYS 587           HA       LYS 587   3.065  -5.631   2.455
  166    HB2  LYS 587           1HB      LYS 587   3.614  -5.466   5.434
  167    HB3  LYS 587           2HB      LYS 587   1.980  -5.254   4.788
  168    HG2  LYS 587           1HG      LYS 587   2.089  -7.401   3.624
  169    HG3  LYS 587           2HG      LYS 587   3.733  -7.681   4.233
  170    HD2  LYS 587           1HD      LYS 587   2.960  -7.870   6.504
  171    HD3  LYS 587           2HD      LYS 587   1.385  -7.185   6.094
  172    HE2  LYS 587           1HE      LYS 587   1.112  -9.562   6.393
  173    HE3  LYS 587           2HE      LYS 587   0.840  -9.145   4.701
  174    HZ1  LYS 587           3HZ      LYS 587   3.360 -10.304   5.796
  175    HZ2  LYS 587           1HZ      LYS 587   3.107  -9.946   4.220
  176    HZ3  LYS 587           2HZ      LYS 587   2.245 -11.129   4.941
  177    H    ARG 588           H        ARG 588   4.463  -3.670   1.457
  178    HA   ARG 588           HA       ARG 588   3.123  -1.123   2.317
  179    HB2  ARG 588           1HB      ARG 588   5.556  -1.410   2.933
  180    HB3  ARG 588           2HB      ARG 588   5.948  -1.445   1.232
  181    HG2  ARG 588           1HG      ARG 588   5.137   0.831   0.952
  182    HG3  ARG 588           2HG      ARG 588   4.577   0.877   2.639
  183    HD2  ARG 588           1HD      ARG 588   6.865   0.598   3.441
  184    HD3  ARG 588           2HD      ARG 588   7.455   0.332   1.821
  185    HE   ARG 588           HE       ARG 588   6.083   2.911   2.477
  186   HH11  ARG 588          1HH1      ARG 588   9.112   1.372   1.579
  187   HH12  ARG 588          2HH1      ARG 588   9.959   2.894   1.488
  188   HH21  ARG 588          1HH2      ARG 588   7.221   4.755   2.475
  189   HH22  ARG 588          2HH2      ARG 588   8.894   4.794   1.939
  190    H    GLY 589           H        GLY 589   2.502   0.331   0.728
  191    HA2  GLY 589           1HA      GLY 589   2.917  -0.412  -2.132
  192    HA3  GLY 589           2HA      GLY 589   1.286  -0.101  -1.547
  193    H    LEU 590           H        LEU 590   3.474   1.286  -3.372
  194    HA   LEU 590           HA       LEU 590   3.183   4.057  -2.266
  195    HB2  LEU 590           1HB      LEU 590   5.430   2.887  -3.945
  196    HB3  LEU 590           2HB      LEU 590   5.235   4.595  -3.561
  197    HG   LEU 590           HG       LEU 590   5.822   2.350  -1.591
  198   HD11  LEU 590          1HD1      LEU 590   7.723   3.179  -2.971
  199   HD12  LEU 590          2HD1      LEU 590   7.913   3.572  -1.251
  200   HD13  LEU 590          3HD1      LEU 590   7.400   4.830  -2.399
  201   HD21  LEU 590          3HD2      LEU 590   4.432   3.778  -0.369
  202   HD22  LEU 590          1HD2      LEU 590   5.054   5.260  -1.130
  203   HD23  LEU 590          2HD2      LEU 590   6.049   4.331   0.037
  204    H    CYS 591           H        CYS 591   1.982   5.420  -3.374
  205    HA   CYS 591           HA       CYS 591   0.602   4.675  -5.708
  206    HB2  CYS 591           1HB      CYS 591  -0.089   6.355  -3.991
  207    HB3  CYS 591           2HB      CYS 591   1.105   7.480  -4.705
  208    H    SER 592           H        SER 592   0.663   5.294  -7.816
  209    HA   SER 592           HA       SER 592   3.312   5.952  -8.981
  210    HB2  SER 592           1HB      SER 592   1.950   3.957  -9.715
  211    HB3  SER 592           2HB      SER 592   0.787   5.087 -10.429
  212    HG   SER 592           HG       SER 592   2.583   5.924 -11.683
  213    H    ARG 593           H        ARG 593   0.409   7.637  -8.186
  214    HA   ARG 593           HA       ARG 593   0.620   9.613 -10.377
  215    HB2  ARG 593           1HB      ARG 593  -1.561   8.847  -9.805
  216    HB3  ARG 593           2HB      ARG 593  -1.327   9.171  -8.089
  217    HG2  ARG 593           1HG      ARG 593  -1.330  11.554  -8.438
  218    HG3  ARG 593           2HG      ARG 593  -1.274  11.354 -10.190
  219    HD2  ARG 593           1HD      ARG 593  -3.561  10.369  -8.424
  220    HD3  ARG 593           2HD      ARG 593  -3.542  11.954  -9.187
  221    HE   ARG 593           HE       ARG 593  -3.384  10.788 -11.402
  222   HH11  ARG 593          1HH1      ARG 593  -4.820   8.890  -8.786
  223   HH12  ARG 593          2HH1      ARG 593  -5.921   8.116  -9.871
  224   HH21  ARG 593          1HH2      ARG 593  -4.740   9.642 -12.708
  225   HH22  ARG 593          2HH2      ARG 593  -5.839   8.484 -12.017
  226    H    LEU 594           H        LEU 594   1.946  11.271 -10.253
  227    HA   LEU 594           HA       LEU 594   3.551  11.783  -7.952
  228    HB2  LEU 594           1HB      LEU 594   3.155  13.463 -10.460
  229    HB3  LEU 594           2HB      LEU 594   4.466  13.653  -9.301
  230    HG   LEU 594           HG       LEU 594   3.998  11.206 -11.061
  231   HD11  LEU 594          1HD1      LEU 594   6.043  11.938 -12.198
  232   HD12  LEU 594          2HD1      LEU 594   6.155  13.356 -11.130
  233   HD13  LEU 594          3HD1      LEU 594   4.803  13.199 -12.274
  234   HD21  LEU 594          3HD2      LEU 594   5.063  10.492  -8.974
  235   HD22  LEU 594          1HD2      LEU 594   6.247  11.817  -9.092
  236   HD23  LEU 594          2HD2      LEU 594   6.252  10.491 -10.276
  237    H    ALA 595           H        ALA 595   0.564  13.336  -8.966
  238    HA   ALA 595           HA       ALA 595   0.754  15.551  -7.084
  239    HB1  ALA 595           1HB      ALA 595  -1.616  14.399  -8.619
  240    HB2  ALA 595           2HB      ALA 595  -1.559  15.973  -7.798
  241    HB3  ALA 595           3HB      ALA 595  -0.516  15.674  -9.200
  242    H    CYS 596           H        CYS 596   0.147  12.254  -6.622
  243    HA   CYS 596           HA       CYS 596  -1.611  12.585  -4.235
  244    HB2  CYS 596           1HB      CYS 596  -2.493  11.286  -6.067
  245    HB3  CYS 596           2HB      CYS 596  -1.014  10.336  -6.174
  246    H    GLY 597           H        GLY 597   1.020  10.462  -5.362
  247    HA2  GLY 597           1HA      GLY 597   2.890   9.554  -4.350
  248    HA3  GLY 597           2HA      GLY 597   3.056  11.162  -3.645
  249    H    PHE 598           H        PHE 598   1.088   8.185  -3.068
  250    HA   PHE 598           HA       PHE 598   1.110   8.801  -0.171
  251    HB2  PHE 598           1HB      PHE 598  -1.052   8.786  -1.460
  252    HB3  PHE 598           2HB      PHE 598  -0.875   7.054  -1.680
  253    HD1  PHE 598           1HD      PHE 598  -0.757   9.687   1.037
  254    HD2  PHE 598           2HD      PHE 598  -1.862   5.667  -0.015
  255    HE1  PHE 598           1HE      PHE 598  -1.821   9.403   3.267
  256    HE2  PHE 598           2HE      PHE 598  -2.920   5.388   2.239
  257    HZ   PHE 598           HZ       PHE 598  -2.945   7.232   3.839
  258    H    ASP 599           H        ASP 599   1.207   7.115   1.353
  259    HA   ASP 599           HA       ASP 599   2.769   4.708   0.545
  260    HB2  ASP 599           1HB      ASP 599   4.249   6.585   1.231
  261    HB3  ASP 599           2HB      ASP 599   3.400   6.696   2.771
  262    H    PHE 600           H        PHE 600   1.417   3.082   1.027
  263    HA   PHE 600           HA       PHE 600  -0.154   3.241   3.559
  264    HB2  PHE 600           1HB      PHE 600  -2.070   2.408   2.421
  265    HB3  PHE 600           2HB      PHE 600  -1.467   3.842   1.633
  266    HD1  PHE 600           1HD      PHE 600  -0.506   3.784  -0.627
  267    HD2  PHE 600           2HD      PHE 600  -2.050   0.235   1.268
  268    HE1  PHE 600           1HE      PHE 600  -0.716   2.697  -2.832
  269    HE2  PHE 600           2HE      PHE 600  -2.237  -0.869  -0.950
  270    HZ   PHE 600           HZ       PHE 600  -1.596   0.363  -3.006
  271    H    CYS 601           H        CYS 601  -0.980   1.453   4.470
  272    HA   CYS 601           HA       CYS 601   0.655  -0.977   4.502
  273    HB2  CYS 601           1HB      CYS 601  -0.168   0.040   6.569
  274    HB3  CYS 601           2HB      CYS 601  -1.823  -0.001   5.961
  275    H    VAL 602           H        VAL 602   0.238  -2.694   3.260
  276    HA   VAL 602           HA       VAL 602  -2.040  -2.653   1.434
  277    HB   VAL 602           HB       VAL 602  -1.044  -4.549   0.334
  278   HG11  VAL 602          1HG1      VAL 602   1.005  -2.451   1.105
  279   HG12  VAL 602          2HG1      VAL 602   1.113  -3.531  -0.291
  280   HG13  VAL 602          3HG1      VAL 602  -0.189  -2.345  -0.205
  281   HG21  VAL 602          3HG2      VAL 602   0.712  -4.724   2.785
  282   HG22  VAL 602          1HG2      VAL 602  -0.230  -5.991   1.999
  283   HG23  VAL 602          2HG2      VAL 602   1.237  -5.373   1.220
  284    H    LEU 603           H        LEU 603  -1.952  -3.727   4.554
  285    HA   LEU 603           HA       LEU 603  -3.870  -5.972   4.104
  286    HB2  LEU 603           1HB      LEU 603  -2.490  -4.959   6.597
  287    HB3  LEU 603           2HB      LEU 603  -3.686  -6.249   6.570
  288    HG   LEU 603           HG       LEU 603  -0.915  -6.312   5.307
  289   HD11  LEU 603          1HD1      LEU 603  -0.999  -6.598   7.753
  290   HD12  LEU 603          2HD1      LEU 603  -0.599  -8.142   6.978
  291   HD13  LEU 603          3HD1      LEU 603  -2.237  -7.859   7.585
  292   HD21  LEU 603          3HD2      LEU 603  -1.433  -8.713   4.804
  293   HD22  LEU 603          1HD2      LEU 603  -2.385  -7.589   3.834
  294   HD23  LEU 603          2HD2      LEU 603  -3.131  -8.409   5.228
  295    H    CYS 604           H        CYS 604  -3.752  -2.692   5.547
  296    HA   CYS 604           HA       CYS 604  -6.703  -2.829   5.954
  297    HB2  CYS 604           1HB      CYS 604  -6.489  -1.458   7.882
  298    HB3  CYS 604           2HB      CYS 604  -5.597  -2.969   8.070
  299    H    LEU 605           H        LEU 605  -4.472  -1.299   4.081
  300    HA   LEU 605           HA       LEU 605  -4.510   0.454   2.662
  301    HB2  LEU 605           1HB      LEU 605  -7.496  -0.037   2.877
  302    HB3  LEU 605           2HB      LEU 605  -6.799   1.070   1.714
  303    HG   LEU 605           HG       LEU 605  -6.141  -1.899   1.834
  304   HD11  LEU 605          1HD1      LEU 605  -7.507  -2.047  -0.202
  305   HD12  LEU 605          2HD1      LEU 605  -7.898  -0.316  -0.090
  306   HD13  LEU 605          3HD1      LEU 605  -8.476  -1.449   1.154
  307   HD21  LEU 605          3HD2      LEU 605  -5.400   0.299  -0.154
  308   HD22  LEU 605          1HD2      LEU 605  -5.204  -1.441  -0.465
  309   HD23  LEU 605          2HD2      LEU 605  -4.288  -0.678   0.832
  310    H    CYS 606           H        CYS 606  -4.228   1.127   5.378
  311    HA   CYS 606           HA       CYS 606  -5.056   4.011   5.332
  312    HB2  CYS 606           1HB      CYS 606  -4.271   2.220   7.675
  313    HB3  CYS 606           2HB      CYS 606  -4.604   3.954   7.785
  314    HG   CYS 606           HG       CYS 606  -6.633   1.567   6.683
  315    H    ALA 607           H        ALA 607  -3.299   5.377   6.516
  316    HA   ALA 607           HA       ALA 607  -0.920   5.394   4.990
  317    HB1  ALA 607           1HB      ALA 607  -0.116   7.015   6.665
  318    HB2  ALA 607           2HB      ALA 607  -1.793   7.354   6.197
  319    HB3  ALA 607           3HB      ALA 607  -1.445   6.566   7.755
  320    H    TYR 608           H        TYR 608   1.048   4.487   5.189
  321    HA   TYR 608           HA       TYR 608   1.236   1.956   6.248
  322    HB2  TYR 608           1HB      TYR 608   2.552   2.853   4.400
  323    HB3  TYR 608           2HB      TYR 608   3.460   3.879   5.502
  324    HD1  TYR 608           1HD      TYR 608   2.565   0.258   4.938
  325    HD2  TYR 608           2HD      TYR 608   5.540   3.092   6.269
  326    HE1  TYR 608           1HE      TYR 608   4.262  -1.549   4.993
  327    HE2  TYR 608           2HE      TYR 608   7.247   1.273   6.301
  328    HH   TYR 608           HH       TYR 608   6.501  -1.929   4.930
  329    H    HIS 609           H        HIS 609   1.870   0.962   8.026
  330    HA   HIS 609           HA       HIS 609   3.098   2.493  10.267
  331    HB2  HIS 609           1HB      HIS 609   1.594   1.400  11.816
  332    HB3  HIS 609           2HB      HIS 609   0.728   2.351  10.625
  333    HD1  HIS 609           1HD      HIS 609   1.507  -1.378  11.344
  334    HD2  HIS 609           2HD      HIS 609  -1.200   1.127   9.319
  335    HE1  HIS 609           1HE      HIS 609  -0.376  -2.872  10.595
  336    H    GLY 610           H        GLY 610   4.329   0.630   8.256
  337    HA2  GLY 610           1HA      GLY 610   6.104  -0.847   8.279
  338    HA3  GLY 610           2HA      GLY 610   6.364  -0.248   9.910
  339    H    SER 611           H        SER 611   6.740  -1.895  11.212
  340    HA   SER 611           HA       SER 611   5.624  -4.594  10.773
  341    HB2  SER 611           1HB      SER 611   7.199  -5.216  12.581
  342    HB3  SER 611           2HB      SER 611   7.979  -4.392  11.224
  343    HG   SER 611           HG       SER 611   8.675  -3.580  13.269
  344    H    GLU 612           H        GLU 612   4.345  -1.943  12.373
  345    HA   GLU 612           HA       GLU 612   3.333  -3.277  14.767
  346    HB2  GLU 612           1HB      GLU 612   2.383  -0.743  13.365
  347    HB3  GLU 612           2HB      GLU 612   1.826  -1.333  14.931
  348    HG2  GLU 612           1HG      GLU 612   4.174  -1.197  15.797
  349    HG3  GLU 612           2HG      GLU 612   4.676  -0.481  14.264
  350    H    ASP 613           H        ASP 613   1.097  -3.863  15.168
  351    HA   ASP 613           HA       ASP 613  -0.116  -5.308  12.933
  352    HB2  ASP 613           1HB      ASP 613  -0.944  -4.985  15.838
  353    HB3  ASP 613           2HB      ASP 613  -1.779  -5.996  14.662
  354    H    CYS 614           H        CYS 614  -2.057  -4.940  11.907
  355    HA   CYS 614           HA       CYS 614  -3.112  -2.297  11.713
  356    HB2  CYS 614           1HB      CYS 614  -4.287  -4.967  10.886
  357    HB3  CYS 614           2HB      CYS 614  -4.821  -3.399  10.296
  358    H    ARG 615           H        ARG 615  -5.086  -1.470  12.324
  359    HA   ARG 615           HA       ARG 615  -6.880  -2.784  14.244
  360    HB2  ARG 615           1HB      ARG 615  -6.430  -1.019  15.974
  361    HB3  ARG 615           2HB      ARG 615  -5.103  -2.151  15.715
  362    HG2  ARG 615           1HG      ARG 615  -3.913  -0.484  14.321
  363    HG3  ARG 615           2HG      ARG 615  -5.232   0.676  14.586
  364    HD2  ARG 615           1HD      ARG 615  -4.784   0.539  17.061
  365    HD3  ARG 615           2HD      ARG 615  -3.462  -0.575  16.732
  366    HE   ARG 615           HE       ARG 615  -2.144   1.157  15.876
  367   HH11  ARG 615          1HH1      ARG 615  -5.313   2.513  16.708
  368   HH12  ARG 615          2HH1      ARG 615  -4.707   4.141  16.550
  369   HH21  ARG 615          1HH2      ARG 615  -1.497   3.261  15.728
  370   HH22  ARG 615          2HH2      ARG 615  -2.628   4.549  16.020
  371    H    ARG 616           H        ARG 616  -8.720  -1.555  14.765
  372    HA   ARG 616           HA       ARG 616  -9.455   0.564  12.781
  373    HB2  ARG 616           1HB      ARG 616 -11.715  -0.205  12.861
  374    HB3  ARG 616           2HB      ARG 616 -10.627  -1.525  12.443
  375    HG2  ARG 616           1HG      ARG 616 -10.798  -2.438  14.739
  376    HG3  ARG 616           2HG      ARG 616 -11.792  -1.059  15.229
  377    HD2  ARG 616           1HD      ARG 616 -13.240  -2.929  14.828
  378    HD3  ARG 616           2HD      ARG 616 -13.526  -1.716  13.585
  379    HE   ARG 616           HE       ARG 616 -12.065  -4.321  13.262
  380   HH11  ARG 616          1HH1      ARG 616 -13.692  -1.662  11.646
  381   HH12  ARG 616          2HH1      ARG 616 -13.635  -2.461  10.099
  382   HH21  ARG 616          1HH2      ARG 616 -12.035  -5.268  11.266
  383   HH22  ARG 616          2HH2      ARG 616 -12.725  -4.445   9.899
  384    H    GLY 617           H        GLY 617  -8.313   0.740  15.651
  385    HA2  GLY 617           1HA      GLY 617  -9.391   3.266  16.363
  386    HA3  GLY 617           2HA      GLY 617 -10.125   2.036  17.402
  Start of MODEL    9
    1    H    THR 566           1H       THR 566  -5.724 -13.162 -13.655
    2    HA   THR 566           HA       THR 566  -4.932 -11.080 -14.475
    3    HB   THR 566           HB       THR 566  -4.508 -10.269 -11.579
    4    HG1  THR 566           1HG      THR 566  -6.298  -8.956 -11.932
    5   HG21  THR 566          1HG2      THR 566  -3.049  -9.068 -13.197
    6   HG22  THR 566          2HG2      THR 566  -4.303  -8.000 -12.570
    7   HG23  THR 566          3HG2      THR 566  -4.469  -8.689 -14.201
    8    H    ASP 567           H        ASP 567  -2.764 -11.025 -15.072
    9    HA   ASP 567           HA       ASP 567  -1.112 -13.195 -14.017
   10    HB2  ASP 567           1HB      ASP 567  -0.720 -11.263 -16.331
   11    HB3  ASP 567           2HB      ASP 567   0.337 -12.625 -15.971
   12    H    GLU 568           H        GLU 568  -1.412 -10.165 -12.935
   13    HA   GLU 568           HA       GLU 568   1.307 -10.031 -11.745
   14    HB2  GLU 568           1HB      GLU 568  -0.103  -7.696 -13.117
   15    HB3  GLU 568           2HB      GLU 568   1.341  -7.566 -12.108
   16    HG2  GLU 568           1HG      GLU 568   2.565  -9.064 -13.693
   17    HG3  GLU 568           2HG      GLU 568   1.149  -9.068 -14.751
   18    H    ALA 569           H        ALA 569   1.356  -8.476  -9.885
   19    HA   ALA 569           HA       ALA 569  -1.261  -8.111  -8.515
   20    HB1  ALA 569           1HB      ALA 569   1.354  -9.020  -7.245
   21    HB2  ALA 569           2HB      ALA 569  -0.134  -8.586  -6.389
   22    HB3  ALA 569           3HB      ALA 569  -0.114 -10.014  -7.457
   23    H    LEU 570           H        LEU 570  -1.569  -6.043  -8.577
   24    HA   LEU 570           HA       LEU 570   0.258  -4.220  -7.179
   25    HB2  LEU 570           1HB      LEU 570  -0.874  -3.629  -9.945
   26    HB3  LEU 570           2HB      LEU 570  -0.156  -2.415  -8.890
   27    HG   LEU 570           HG       LEU 570   1.354  -4.839  -9.977
   28   HD11  LEU 570          1HD1      LEU 570   0.688  -3.332 -11.759
   29   HD12  LEU 570          2HD1      LEU 570   2.438  -3.288 -11.460
   30   HD13  LEU 570          3HD1      LEU 570   1.404  -1.958 -10.870
   31   HD21  LEU 570          3HD2      LEU 570   2.362  -2.280  -8.671
   32   HD22  LEU 570          1HD2      LEU 570   3.364  -3.613  -9.292
   33   HD23  LEU 570          2HD2      LEU 570   2.321  -3.882  -7.895
   34    H    LYS 571           H        LYS 571  -0.929  -3.217  -5.638
   35    HA   LYS 571           HA       LYS 571  -3.844  -3.521  -5.720
   36    HB2  LYS 571           1HB      LYS 571  -2.133  -2.351  -3.501
   37    HB3  LYS 571           2HB      LYS 571  -3.845  -2.698  -3.421
   38    HG2  LYS 571           1HG      LYS 571  -3.128  -5.157  -4.096
   39    HG3  LYS 571           2HG      LYS 571  -1.540  -4.646  -3.492
   40    HD2  LYS 571           1HD      LYS 571  -2.675  -3.969  -1.322
   41    HD3  LYS 571           2HD      LYS 571  -4.197  -4.597  -1.985
   42    HE2  LYS 571           1HE      LYS 571  -2.925  -6.815  -2.364
   43    HE3  LYS 571           2HE      LYS 571  -1.660  -6.151  -1.336
   44    HZ1  LYS 571           3HZ      LYS 571  -4.498  -6.561  -0.534
   45    HZ2  LYS 571           1HZ      LYS 571  -3.360  -5.918   0.447
   46    HZ3  LYS 571           2HZ      LYS 571  -3.241  -7.474  -0.048
   47    HA   PRO 572           HA       PRO 572  -4.758   0.724  -6.782
   48    HB2  PRO 572           1HB      PRO 572  -7.249   1.019  -5.699
   49    HB3  PRO 572           2HB      PRO 572  -6.925   0.076  -7.172
   50    HG2  PRO 572           1HG      PRO 572  -7.281  -0.911  -4.326
   51    HG3  PRO 572           2HG      PRO 572  -7.962  -1.603  -5.830
   52    HD2  PRO 572           1HD      PRO 572  -5.686  -2.566  -4.585
   53    HD3  PRO 572           2HD      PRO 572  -5.937  -2.675  -6.354
   54    H    CYS 573           H        CYS 573  -4.027   2.500  -5.865
   55    HA   CYS 573           HA       CYS 573  -3.276   2.982  -3.229
   56    HB2  CYS 573           1HB      CYS 573  -2.487   4.196  -5.149
   57    HB3  CYS 573           2HB      CYS 573  -4.111   4.701  -5.572
   58    HA   PRO 574           HA       PRO 574  -7.254   3.494  -1.240
   59    HB2  PRO 574           1HB      PRO 574  -6.438   4.400   1.222
   60    HB3  PRO 574           2HB      PRO 574  -6.160   2.726   0.654
   61    HG2  PRO 574           1HG      PRO 574  -4.278   5.082   0.496
   62    HG3  PRO 574           2HG      PRO 574  -3.926   3.434   1.144
   63    HD2  PRO 574           1HD      PRO 574  -3.230   4.122  -1.348
   64    HD3  PRO 574           2HD      PRO 574  -3.878   2.488  -0.988
   65    H    ARG 575           H        ARG 575  -5.237   6.115  -2.165
   66    HA   ARG 575           HA       ARG 575  -7.249   8.212  -1.433
   67    HB2  ARG 575           1HB      ARG 575  -4.433   8.260  -2.531
   68    HB3  ARG 575           2HB      ARG 575  -5.481   9.669  -2.641
   69    HG2  ARG 575           1HG      ARG 575  -5.785   9.606  -0.156
   70    HG3  ARG 575           2HG      ARG 575  -4.516   8.358  -0.076
   71    HD2  ARG 575           1HD      ARG 575  -2.912   9.873  -1.129
   72    HD3  ARG 575           2HD      ARG 575  -4.169  11.077  -1.431
   73    HE   ARG 575           HE       ARG 575  -4.180  10.684   1.333
   74   HH11  ARG 575          1HH1      ARG 575  -1.770  11.801  -0.979
   75   HH12  ARG 575          2HH1      ARG 575  -1.063  12.900   0.164
   76   HH21  ARG 575          1HH2      ARG 575  -3.214  12.122   2.733
   77   HH22  ARG 575          2HH2      ARG 575  -1.847  13.061   2.212
   78    H    CYS 576           H        CYS 576  -5.625   6.960  -4.371
   79    HA   CYS 576           HA       CYS 576  -7.743   8.287  -6.010
   80    HB2  CYS 576           1HB      CYS 576  -6.094   8.968  -7.567
   81    HB3  CYS 576           2HB      CYS 576  -5.601   9.503  -5.961
   82    H    GLN 577           H        GLN 577  -6.666   5.267  -5.246
   83    HA   GLN 577           HA       GLN 577  -6.925   3.226  -6.038
   84    HB2  GLN 577           1HB      GLN 577  -9.004   4.402  -7.896
   85    HB3  GLN 577           2HB      GLN 577  -8.828   2.697  -7.520
   86    HG2  GLN 577           1HG      GLN 577  -9.401   4.764  -5.350
   87    HG3  GLN 577           2HG      GLN 577 -10.658   4.005  -6.308
   88   HE21  GLN 577          1HE2      GLN 577  -8.030   3.239  -3.937
   89   HE22  GLN 577          2HE2      GLN 577  -8.812   1.745  -3.430
   90    H    SER 578           H        SER 578  -5.080   5.182  -7.590
   91    HA   SER 578           HA       SER 578  -4.570   3.949 -10.131
   92    HB2  SER 578           1HB      SER 578  -2.572   5.330  -8.297
   93    HB3  SER 578           2HB      SER 578  -2.444   5.109 -10.047
   94    HG   SER 578           HG       SER 578  -4.007   6.857  -8.528
   95    HA   PRO 579           HA       PRO 579  -2.439   0.212  -8.741
   96    HB2  PRO 579           1HB      PRO 579  -0.691  -0.284 -10.793
   97    HB3  PRO 579           2HB      PRO 579  -2.448  -0.568 -10.910
   98    HG2  PRO 579           1HG      PRO 579  -0.876   1.866 -11.810
   99    HG3  PRO 579           2HG      PRO 579  -2.096   0.944 -12.753
  100    HD2  PRO 579           1HD      PRO 579  -2.733   3.243 -11.459
  101    HD3  PRO 579           2HD      PRO 579  -3.879   1.866 -11.480
  102    H    ALA 580           H        ALA 580  -1.305   0.660  -7.013
  103    HA   ALA 580           HA       ALA 580   1.056   2.404  -6.968
  104    HB1  ALA 580           1HB      ALA 580  -0.576   2.481  -5.165
  105    HB2  ALA 580           2HB      ALA 580  -0.358   0.739  -4.853
  106    HB3  ALA 580           3HB      ALA 580   0.965   1.868  -4.530
  107    H    LYS 581           H        LYS 581   3.160   1.772  -6.444
  108    HA   LYS 581           HA       LYS 581   4.157  -0.735  -7.474
  109    HB2  LYS 581           1HB      LYS 581   5.420   1.477  -7.327
  110    HB3  LYS 581           2HB      LYS 581   5.593   1.176  -5.583
  111    HG2  LYS 581           1HG      LYS 581   6.783  -0.935  -6.043
  112    HG3  LYS 581           2HG      LYS 581   6.575  -0.684  -7.789
  113    HD2  LYS 581           1HD      LYS 581   7.905   1.401  -7.656
  114    HD3  LYS 581           2HD      LYS 581   8.105   1.171  -5.904
  115    HE2  LYS 581           1HE      LYS 581   9.267  -0.979  -6.309
  116    HE3  LYS 581           2HE      LYS 581   9.040  -0.788  -8.052
  117    HZ1  LYS 581           3HZ      LYS 581  10.422   1.219  -7.948
  118    HZ2  LYS 581           1HZ      LYS 581  11.251  -0.060  -7.366
  119    HZ3  LYS 581           2HZ      LYS 581  10.634   1.045  -6.336
  120    H    TYR 582           H        TYR 582   3.635  -2.574  -6.544
  121    HA   TYR 582           HA       TYR 582   2.895  -2.709  -3.749
  122    HB2  TYR 582           1HB      TYR 582   1.613  -3.782  -5.609
  123    HB3  TYR 582           2HB      TYR 582   2.994  -4.823  -5.911
  124    HD1  TYR 582           1HD      TYR 582   1.725  -3.984  -2.487
  125    HD2  TYR 582           2HD      TYR 582   1.817  -6.808  -5.728
  126    HE1  TYR 582           1HE      TYR 582   0.830  -5.715  -0.973
  127    HE2  TYR 582           2HE      TYR 582   0.865  -8.574  -4.201
  128    HH   TYR 582           HH       TYR 582   0.106  -7.901  -0.762
  129    H    GLN 583           H        GLN 583   3.990  -3.529  -2.075
  130    HA   GLN 583           HA       GLN 583   6.566  -4.978  -2.519
  131    HB2  GLN 583           1HB      GLN 583   6.077  -3.045  -0.262
  132    HB3  GLN 583           2HB      GLN 583   7.599  -3.662  -0.885
  133    HG2  GLN 583           1HG      GLN 583   7.101  -2.246  -3.017
  134    HG3  GLN 583           2HG      GLN 583   5.767  -1.543  -2.106
  135   HE21  GLN 583          1HE2      GLN 583   7.437   0.286  -2.953
  136   HE22  GLN 583          2HE2      GLN 583   8.509   0.821  -1.663
  137    HA   PRO 584           HA       PRO 584   3.431  -7.369   0.030
  138    HB2  PRO 584           1HB      PRO 584   4.037  -9.893  -0.987
  139    HB3  PRO 584           2HB      PRO 584   2.850  -8.765  -1.683
  140    HG2  PRO 584           1HG      PRO 584   5.726  -9.178  -2.509
  141    HG3  PRO 584           2HG      PRO 584   4.277  -9.051  -3.557
  142    HD2  PRO 584           1HD      PRO 584   5.909  -6.948  -3.173
  143    HD3  PRO 584           2HD      PRO 584   4.136  -6.719  -3.228
  144    H    HIS 585           H        HIS 585   6.878  -7.879  -0.434
  145    HA   HIS 585           HA       HIS 585   7.345  -9.560   1.893
  146    HB2  HIS 585           1HB      HIS 585   9.689  -9.143   1.360
  147    HB3  HIS 585           2HB      HIS 585   8.792  -9.605  -0.078
  148    HD2  HIS 585           2HD      HIS 585  11.599  -7.736   0.304
  149    HE1  HIS 585           1HE      HIS 585   9.306  -4.983  -2.008
  150    HE2  HIS 585           2HE      HIS 585  11.652  -5.608  -1.249
  151    H    LYS 586           H        LYS 586   7.015  -6.135   1.380
  152    HA   LYS 586           HA       LYS 586   7.856  -5.515   4.197
  153    HB2  LYS 586           1HB      LYS 586   7.694  -3.751   1.719
  154    HB3  LYS 586           2HB      LYS 586   8.061  -3.169   3.348
  155    HG2  LYS 586           1HG      LYS 586  10.045  -4.642   3.454
  156    HG3  LYS 586           2HG      LYS 586   9.729  -5.196   1.799
  157    HD2  LYS 586           1HD      LYS 586   9.940  -2.883   0.964
  158    HD3  LYS 586           2HD      LYS 586  10.274  -2.300   2.598
  159    HE2  LYS 586           1HE      LYS 586  11.961  -4.357   1.094
  160    HE3  LYS 586           2HE      LYS 586  12.301  -2.625   1.121
  161    HZ1  LYS 586           3HZ      LYS 586  12.558  -2.772   3.543
  162    HZ2  LYS 586           1HZ      LYS 586  13.606  -3.770   2.795
  163    HZ3  LYS 586           2HZ      LYS 586  12.281  -4.385   3.516
  164    H    LYS 587           H        LYS 587   5.139  -6.229   2.592
  165    HA   LYS 587           HA       LYS 587   2.958  -5.624   2.490
  166    HB2  LYS 587           1HB      LYS 587   3.473  -5.263   5.474
  167    HB3  LYS 587           2HB      LYS 587   1.861  -5.290   4.773
  168    HG2  LYS 587           1HG      LYS 587   3.873  -7.574   4.632
  169    HG3  LYS 587           2HG      LYS 587   2.481  -7.469   5.712
  170    HD2  LYS 587           1HD      LYS 587   0.977  -7.348   3.688
  171    HD3  LYS 587           2HD      LYS 587   2.374  -7.655   2.659
  172    HE2  LYS 587           1HE      LYS 587   1.326  -9.516   4.823
  173    HE3  LYS 587           2HE      LYS 587   1.021  -9.659   3.094
  174    HZ1  LYS 587           3HZ      LYS 587   3.662  -9.920   4.433
  175    HZ2  LYS 587           1HZ      LYS 587   3.518  -9.792   2.814
  176    HZ3  LYS 587           2HZ      LYS 587   2.866 -11.078   3.604
  177    H    ARG 588           H        ARG 588   4.445  -3.707   1.494
  178    HA   ARG 588           HA       ARG 588   3.149  -1.132   2.328
  179    HB2  ARG 588           1HB      ARG 588   5.593  -1.496   2.910
  180    HB3  ARG 588           2HB      ARG 588   5.950  -1.482   1.198
  181    HG2  ARG 588           1HG      ARG 588   5.202   0.818   1.005
  182    HG3  ARG 588           2HG      ARG 588   4.601   0.811   2.678
  183    HD2  ARG 588           1HD      ARG 588   6.903   0.383   3.490
  184    HD3  ARG 588           2HD      ARG 588   7.499   0.339   1.856
  185    HE   ARG 588           HE       ARG 588   6.050   2.807   2.601
  186   HH11  ARG 588          1HH1      ARG 588   9.249   1.350   2.539
  187   HH12  ARG 588          2HH1      ARG 588  10.045   2.872   2.835
  188   HH21  ARG 588          1HH2      ARG 588   7.101   4.651   3.101
  189   HH22  ARG 588          2HH2      ARG 588   8.854   4.721   3.103
  190    H    GLY 589           H        GLY 589   2.539   0.316   0.735
  191    HA2  GLY 589           1HA      GLY 589   2.943  -0.439  -2.118
  192    HA3  GLY 589           2HA      GLY 589   1.307  -0.154  -1.538
  193    H    LEU 590           H        LEU 590   3.489   1.266  -3.354
  194    HA   LEU 590           HA       LEU 590   3.202   4.030  -2.228
  195    HB2  LEU 590           1HB      LEU 590   5.450   2.863  -3.910
  196    HB3  LEU 590           2HB      LEU 590   5.267   4.566  -3.506
  197    HG   LEU 590           HG       LEU 590   5.816   2.295  -1.557
  198   HD11  LEU 590          1HD1      LEU 590   7.924   3.484  -1.198
  199   HD12  LEU 590          2HD1      LEU 590   7.438   4.753  -2.345
  200   HD13  LEU 590          3HD1      LEU 590   7.737   3.098  -2.919
  201   HD21  LEU 590          3HD2      LEU 590   6.058   4.248   0.096
  202   HD22  LEU 590          1HD2      LEU 590   4.434   3.742  -0.341
  203   HD23  LEU 590          2HD2      LEU 590   5.098   5.215  -1.074
  204    H    CYS 591           H        CYS 591   2.017   5.410  -3.326
  205    HA   CYS 591           HA       CYS 591   0.640   4.674  -5.663
  206    HB2  CYS 591           1HB      CYS 591  -0.047   6.336  -3.916
  207    HB3  CYS 591           2HB      CYS 591   1.112   7.483  -4.657
  208    H    SER 592           H        SER 592   0.712   5.261  -7.763
  209    HA   SER 592           HA       SER 592   3.331   5.950  -8.960
  210    HB2  SER 592           1HB      SER 592   1.933   4.028  -9.745
  211    HB3  SER 592           2HB      SER 592   0.712   5.188 -10.302
  212    HG   SER 592           HG       SER 592   2.193   4.528 -11.959
  213    H    ARG 593           H        ARG 593   0.343   7.568  -8.169
  214    HA   ARG 593           HA       ARG 593   0.525   9.624 -10.264
  215    HB2  ARG 593           1HB      ARG 593  -1.602   8.728  -9.581
  216    HB3  ARG 593           2HB      ARG 593  -1.338   9.170  -7.901
  217    HG2  ARG 593           1HG      ARG 593  -1.353  11.580  -8.509
  218    HG3  ARG 593           2HG      ARG 593  -1.570  11.138 -10.194
  219    HD2  ARG 593           1HD      ARG 593  -3.508  10.782  -7.875
  220    HD3  ARG 593           2HD      ARG 593  -3.736  11.784  -9.297
  221    HE   ARG 593           HE       ARG 593  -4.105   8.875  -8.996
  222   HH11  ARG 593          1HH1      ARG 593  -4.135  11.495 -11.333
  223   HH12  ARG 593          2HH1      ARG 593  -4.813  10.485 -12.581
  224   HH21  ARG 593          1HH2      ARG 593  -4.751   7.628 -10.657
  225   HH22  ARG 593          2HH2      ARG 593  -5.224   8.342 -12.185
  226    H    LEU 594           H        LEU 594   1.852  11.294 -10.129
  227    HA   LEU 594           HA       LEU 594   3.470  11.802  -7.847
  228    HB2  LEU 594           1HB      LEU 594   2.984  13.539 -10.301
  229    HB3  LEU 594           2HB      LEU 594   4.312  13.732  -9.162
  230    HG   LEU 594           HG       LEU 594   3.871  11.321 -10.979
  231   HD11  LEU 594          1HD1      LEU 594   5.873  12.137 -12.136
  232   HD12  LEU 594          2HD1      LEU 594   5.969  13.529 -11.034
  233   HD13  LEU 594          3HD1      LEU 594   4.598  13.365 -12.154
  234   HD21  LEU 594          3HD2      LEU 594   6.159  10.646 -10.258
  235   HD22  LEU 594          1HD2      LEU 594   4.998  10.581  -8.933
  236   HD23  LEU 594          2HD2      LEU 594   6.143  11.941  -9.038
  237    H    ALA 595           H        ALA 595   0.461  13.382  -8.820
  238    HA   ALA 595           HA       ALA 595   0.650  15.533  -6.871
  239    HB1  ALA 595           1HB      ALA 595  -1.674  15.961  -7.552
  240    HB2  ALA 595           2HB      ALA 595  -0.640  15.708  -8.970
  241    HB3  ALA 595           3HB      ALA 595  -1.729  14.411  -8.418
  242    H    CYS 596           H        CYS 596  -0.215  12.205  -6.625
  243    HA   CYS 596           HA       CYS 596  -1.846  12.487  -4.165
  244    HB2  CYS 596           1HB      CYS 596  -2.662  11.146  -5.984
  245    HB3  CYS 596           2HB      CYS 596  -1.143  10.248  -6.072
  246    H    GLY 597           H        GLY 597   0.887  10.508  -5.291
  247    HA2  GLY 597           1HA      GLY 597   2.770   9.635  -4.268
  248    HA3  GLY 597           2HA      GLY 597   2.886  11.247  -3.561
  249    H    PHE 598           H        PHE 598   1.116   8.146  -3.005
  250    HA   PHE 598           HA       PHE 598   1.066   8.755  -0.103
  251    HB2  PHE 598           1HB      PHE 598  -1.098   8.716  -1.409
  252    HB3  PHE 598           2HB      PHE 598  -0.894   6.987  -1.622
  253    HD1  PHE 598           1HD      PHE 598  -0.840   9.642   1.069
  254    HD2  PHE 598           2HD      PHE 598  -1.833   5.584   0.063
  255    HE1  PHE 598           1HE      PHE 598  -1.886   9.354   3.309
  256    HE2  PHE 598           2HE      PHE 598  -2.881   5.300   2.325
  257    HZ   PHE 598           HZ       PHE 598  -2.944   7.157   3.911
  258    H    ASP 599           H        ASP 599   1.207   7.067   1.388
  259    HA   ASP 599           HA       ASP 599   2.769   4.671   0.552
  260    HB2  ASP 599           1HB      ASP 599   4.302   6.473   1.226
  261    HB3  ASP 599           2HB      ASP 599   3.412   6.703   2.730
  262    H    PHE 600           H        PHE 600   1.433   3.039   1.045
  263    HA   PHE 600           HA       PHE 600  -0.126   3.196   3.584
  264    HB2  PHE 600           1HB      PHE 600  -2.041   2.349   2.461
  265    HB3  PHE 600           2HB      PHE 600  -1.452   3.781   1.661
  266    HD1  PHE 600           2HD      PHE 600  -0.494   3.713  -0.605
  267    HD2  PHE 600           1HD      PHE 600  -2.047   0.181   1.315
  268    HE1  PHE 600           2HE      PHE 600  -0.719   2.616  -2.802
  269    HE2  PHE 600           1HE      PHE 600  -2.255  -0.932  -0.892
  270    HZ   PHE 600           HZ       PHE 600  -1.608   0.284  -2.961
  271    H    CYS 601           H        CYS 601  -0.917   1.407   4.519
  272    HA   CYS 601           HA       CYS 601   0.725  -1.025   4.492
  273    HB2  CYS 601           1HB      CYS 601  -0.046  -0.072   6.606
  274    HB3  CYS 601           2HB      CYS 601  -1.716  -0.070   6.026
  275    H    VAL 602           H        VAL 602   0.288  -2.689   3.187
  276    HA   VAL 602           HA       VAL 602  -2.058  -2.641   1.445
  277    HB   VAL 602           HB       VAL 602  -1.109  -4.539   0.313
  278   HG11  VAL 602          1HG1      VAL 602   1.055  -3.577  -0.351
  279   HG12  VAL 602          2HG1      VAL 602  -0.202  -2.348  -0.220
  280   HG13  VAL 602          3HG1      VAL 602   1.018  -2.511   1.058
  281   HG21  VAL 602          3HG2      VAL 602   0.665  -4.774   2.741
  282   HG22  VAL 602          1HG2      VAL 602  -0.314  -6.009   1.949
  283   HG23  VAL 602          2HG2      VAL 602   1.167  -5.424   1.169
  284    H    LEU 603           H        LEU 603  -1.797  -3.726   4.559
  285    HA   LEU 603           HA       LEU 603  -3.646  -6.039   4.229
  286    HB2  LEU 603           1HB      LEU 603  -2.077  -5.000   6.596
  287    HB3  LEU 603           2HB      LEU 603  -3.166  -6.377   6.650
  288    HG   LEU 603           HG       LEU 603  -0.630  -6.187   4.968
  289   HD11  LEU 603          1HD1      LEU 603  -0.200  -6.400   7.380
  290   HD12  LEU 603          2HD1      LEU 603   0.233  -7.891   6.527
  291   HD13  LEU 603          3HD1      LEU 603  -1.277  -7.811   7.462
  292   HD21  LEU 603          3HD2      LEU 603  -2.611  -8.476   5.350
  293   HD22  LEU 603          1HD2      LEU 603  -1.003  -8.657   4.626
  294   HD23  LEU 603          2HD2      LEU 603  -2.209  -7.652   3.824
  295    H    CYS 604           H        CYS 604  -3.566  -2.750   5.611
  296    HA   CYS 604           HA       CYS 604  -6.487  -2.972   6.156
  297    HB2  CYS 604           1HB      CYS 604  -6.281  -1.593   8.081
  298    HB3  CYS 604           2HB      CYS 604  -5.380  -3.097   8.257
  299    H    LEU 605           H        LEU 605  -4.348  -1.394   4.233
  300    HA   LEU 605           HA       LEU 605  -4.465   0.357   2.818
  301    HB2  LEU 605           1HB      LEU 605  -7.430  -0.200   3.105
  302    HB3  LEU 605           2HB      LEU 605  -6.781   0.916   1.919
  303    HG   LEU 605           HG       LEU 605  -6.055  -2.038   2.042
  304   HD11  LEU 605          1HD1      LEU 605  -7.893  -0.510   0.150
  305   HD12  LEU 605          2HD1      LEU 605  -8.414  -1.648   1.413
  306   HD13  LEU 605          3HD1      LEU 605  -7.463  -2.232   0.038
  307   HD21  LEU 605          3HD2      LEU 605  -4.255  -0.779   0.990
  308   HD22  LEU 605          1HD2      LEU 605  -5.412   0.165   0.024
  309   HD23  LEU 605          2HD2      LEU 605  -5.182  -1.572  -0.281
  310    H    CYS 606           H        CYS 606  -4.121   1.050   5.507
  311    HA   CYS 606           HA       CYS 606  -5.004   3.920   5.482
  312    HB2  CYS 606           1HB      CYS 606  -4.064   2.161   7.795
  313    HB3  CYS 606           2HB      CYS 606  -4.449   3.884   7.913
  314    HG   CYS 606           HG       CYS 606  -6.451   1.426   6.924
  315    H    ALA 607           H        ALA 607  -3.229   5.329   6.567
  316    HA   ALA 607           HA       ALA 607  -0.878   5.344   4.987
  317    HB1  ALA 607           1HB      ALA 607  -1.739   7.318   6.185
  318    HB2  ALA 607           2HB      ALA 607  -1.361   6.550   7.746
  319    HB3  ALA 607           3HB      ALA 607  -0.053   6.991   6.627
  320    H    TYR 608           H        TYR 608   1.099   4.439   5.170
  321    HA   TYR 608           HA       TYR 608   1.293   1.921   6.279
  322    HB2  TYR 608           1HB      TYR 608   2.591   2.770   4.389
  323    HB3  TYR 608           2HB      TYR 608   3.520   3.810   5.458
  324    HD1  TYR 608           2HD      TYR 608   2.605   0.197   4.920
  325    HD2  TYR 608           1HD      TYR 608   5.579   3.011   6.293
  326    HE1  TYR 608           2HE      TYR 608   4.285  -1.626   5.005
  327    HE2  TYR 608           1HE      TYR 608   7.269   1.177   6.361
  328    HH   TYR 608           HH       TYR 608   6.541  -1.996   4.943
  329    H    HIS 609           H        HIS 609   1.957   0.974   8.076
  330    HA   HIS 609           HA       HIS 609   3.109   2.615  10.271
  331    HB2  HIS 609           1HB      HIS 609   1.627   1.480  11.833
  332    HB3  HIS 609           2HB      HIS 609   0.738   2.354  10.598
  333    HD1  HIS 609           1HD      HIS 609   1.736  -1.317  11.381
  334    HD2  HIS 609           2HD      HIS 609  -1.096   0.996   9.298
  335    HE1  HIS 609           1HE      HIS 609  -0.006  -2.942  10.566
  336    H    GLY 610           H        GLY 610   4.419   0.698   8.341
  337    HA2  GLY 610           1HA      GLY 610   6.208  -0.766   8.413
  338    HA3  GLY 610           2HA      GLY 610   6.520  -0.007   9.966
  339    H    SER 611           H        SER 611   6.972  -1.496  11.418
  340    HA   SER 611           HA       SER 611   6.016  -4.276  11.250
  341    HB2  SER 611           1HB      SER 611   7.756  -2.935  13.350
  342    HB3  SER 611           2HB      SER 611   7.560  -4.675  13.088
  343    HG   SER 611           HG       SER 611   8.542  -4.439  11.048
  344    H    GLU 612           H        GLU 612   4.488  -1.588  12.576
  345    HA   GLU 612           HA       GLU 612   3.498  -2.831  15.042
  346    HB2  GLU 612           1HB      GLU 612   2.477  -0.391  13.538
  347    HB3  GLU 612           2HB      GLU 612   1.970  -0.923  15.139
  348    HG2  GLU 612           1HG      GLU 612   4.336  -0.677  15.943
  349    HG3  GLU 612           2HG      GLU 612   4.771   0.003  14.375
  350    H    ASP 613           H        ASP 613   1.166  -3.233  15.423
  351    HA   ASP 613           HA       ASP 613   0.016  -4.954  13.379
  352    HB2  ASP 613           1HB      ASP 613  -1.681  -5.411  15.058
  353    HB3  ASP 613           2HB      ASP 613  -0.060  -5.590  15.715
  354    H    CYS 614           H        CYS 614  -2.014  -4.748  12.363
  355    HA   CYS 614           HA       CYS 614  -2.649  -2.153  11.412
  356    HB2  CYS 614           1HB      CYS 614  -4.033  -4.837  11.156
  357    HB3  CYS 614           2HB      CYS 614  -4.584  -3.397  10.315
  358    H    ARG 615           H        ARG 615  -4.742  -1.218  11.288
  359    HA   ARG 615           HA       ARG 615  -5.428  -0.337  13.958
  360    HB2  ARG 615           1HB      ARG 615  -6.422   0.667  11.275
  361    HB3  ARG 615           2HB      ARG 615  -6.450   1.546  12.801
  362    HG2  ARG 615           1HG      ARG 615  -3.906   0.718  11.305
  363    HG3  ARG 615           2HG      ARG 615  -4.684   2.288  11.237
  364    HD2  ARG 615           1HD      ARG 615  -2.918   2.587  12.734
  365    HD3  ARG 615           2HD      ARG 615  -4.366   2.506  13.733
  366    HE   ARG 615           HE       ARG 615  -2.567   0.121  13.319
  367   HH11  ARG 615          1HH1      ARG 615  -3.994   2.347  15.635
  368   HH12  ARG 615          2HH1      ARG 615  -3.450   1.396  16.990
  369   HH21  ARG 615          1HH2      ARG 615  -1.956  -1.025  15.054
  370   HH22  ARG 615          2HH2      ARG 615  -2.344  -0.488  16.669
  371    H    ARG 616           H        ARG 616  -6.481  -2.938  13.352
  372    HA   ARG 616           HA       ARG 616  -8.359  -4.243  13.549
  373    HB2  ARG 616           1HB      ARG 616  -7.726  -3.164  15.791
  374    HB3  ARG 616           2HB      ARG 616  -9.184  -2.188  15.620
  375    HG2  ARG 616           1HG      ARG 616 -10.540  -4.297  15.494
  376    HG3  ARG 616           2HG      ARG 616  -9.062  -5.251  15.652
  377    HD2  ARG 616           1HD      ARG 616 -10.084  -3.246  17.708
  378    HD3  ARG 616           2HD      ARG 616 -10.368  -4.995  17.772
  379    HE   ARG 616           HE       ARG 616  -7.587  -4.684  17.562
  380   HH11  ARG 616          1HH2      ARG 616 -10.017  -3.843  19.940
  381   HH12  ARG 616          2HH2      ARG 616  -8.882  -3.916  21.261
  382   HH21  ARG 616          1HH1      ARG 616  -6.189  -4.745  19.287
  383   HH22  ARG 616          2HH1      ARG 616  -6.773  -4.419  20.893
  384    H    GLY 617           H        GLY 617  -8.741  -2.903  11.308
  385    HA2  GLY 617           1HA      GLY 617 -11.226  -1.487  10.986
  386    HA3  GLY 617           2HA      GLY 617 -10.299  -2.274   9.709
  Start of MODEL   10
    1    H    THR 566           1H       THR 566  -4.116 -10.052 -15.477
    2    HA   THR 566           HA       THR 566  -4.178 -12.404 -15.845
    3    HB   THR 566           HB       THR 566  -1.470 -11.222 -16.529
    4    HG1  THR 566           1HG      THR 566  -2.576 -10.488 -18.335
    5   HG21  THR 566          1HG2      THR 566  -1.635 -13.631 -17.101
    6   HG22  THR 566          2HG2      THR 566  -1.695 -12.633 -18.558
    7   HG23  THR 566          3HG2      THR 566  -3.194 -13.337 -17.908
    8    H    ASP 567           H        ASP 567  -0.962 -11.650 -14.349
    9    HA   ASP 567           HA       ASP 567  -1.182 -14.083 -12.671
   10    HB2  ASP 567           1HB      ASP 567  -0.190 -14.705 -14.926
   11    HB3  ASP 567           2HB      ASP 567   1.149 -13.616 -14.574
   12    H    GLU 568           H        GLU 568  -0.614 -10.925 -12.721
   13    HA   GLU 568           HA       GLU 568   1.577 -10.855 -10.696
   14    HB2  GLU 568           1HB      GLU 568   1.926  -8.564 -11.357
   15    HB3  GLU 568           2HB      GLU 568   2.088  -9.633 -12.734
   16    HG2  GLU 568           1HG      GLU 568  -0.488  -8.094 -12.183
   17    HG3  GLU 568           2HG      GLU 568   0.870  -7.380 -13.037
   18    H    ALA 569           H        ALA 569   1.334  -8.749  -9.280
   19    HA   ALA 569           HA       ALA 569  -1.405  -8.353  -8.279
   20    HB1  ALA 569           1HB      ALA 569  -0.590  -8.568  -5.948
   21    HB2  ALA 569           2HB      ALA 569  -0.492 -10.119  -6.824
   22    HB3  ALA 569           3HB      ALA 569   0.976  -9.144  -6.542
   23    H    LEU 570           H        LEU 570  -1.727  -6.317  -8.210
   24    HA   LEU 570           HA       LEU 570   0.102  -4.407  -6.981
   25    HB2  LEU 570           1HB      LEU 570  -1.071  -3.957  -9.758
   26    HB3  LEU 570           2HB      LEU 570  -0.362  -2.687  -8.764
   27    HG   LEU 570           HG       LEU 570   1.175  -5.123  -9.783
   28   HD11  LEU 570          1HD1      LEU 570   2.225  -3.580 -11.313
   29   HD12  LEU 570          2HD1      LEU 570   1.179  -2.255 -10.732
   30   HD13  LEU 570          3HD1      LEU 570   0.473  -3.653 -11.592
   31   HD21  LEU 570          3HD2      LEU 570   2.149  -2.526  -8.519
   32   HD22  LEU 570          1HD2      LEU 570   3.176  -3.834  -9.154
   33   HD23  LEU 570          2HD2      LEU 570   2.162  -4.127  -7.743
   34    H    LYS 571           H        LYS 571  -1.028  -3.114  -5.653
   35    HA   LYS 571           HA       LYS 571  -3.972  -3.480  -5.562
   36    HB2  LYS 571           1HB      LYS 571  -2.058  -2.525  -3.413
   37    HB3  LYS 571           2HB      LYS 571  -3.788  -2.700  -3.212
   38    HG2  LYS 571           1HG      LYS 571  -3.627  -5.125  -3.757
   39    HG3  LYS 571           2HG      LYS 571  -1.859  -4.976  -3.850
   40    HD2  LYS 571           1HD      LYS 571  -1.767  -4.209  -1.528
   41    HD3  LYS 571           2HD      LYS 571  -3.525  -4.314  -1.372
   42    HE2  LYS 571           1HE      LYS 571  -1.699  -6.674  -2.025
   43    HE3  LYS 571           2HE      LYS 571  -2.227  -6.256  -0.392
   44    HZ1  LYS 571           3HZ      LYS 571  -4.048  -7.018  -2.611
   45    HZ2  LYS 571           1HZ      LYS 571  -4.529  -6.602  -1.102
   46    HZ3  LYS 571           2HZ      LYS 571  -3.650  -7.956  -1.339
   47    HA   PRO 572           HA       PRO 572  -4.762   0.794  -6.518
   48    HB2  PRO 572           1HB      PRO 572  -7.181   1.201  -5.318
   49    HB3  PRO 572           2HB      PRO 572  -6.974   0.216  -6.786
   50    HG2  PRO 572           1HG      PRO 572  -7.191  -0.706  -3.901
   51    HG3  PRO 572           2HG      PRO 572  -8.006  -1.389  -5.341
   52    HD2  PRO 572           1HD      PRO 572  -5.695  -2.449  -4.251
   53    HD3  PRO 572           2HD      PRO 572  -6.064  -2.540  -6.001
   54    H    CYS 573           H        CYS 573  -4.074   2.636  -5.668
   55    HA   CYS 573           HA       CYS 573  -3.174   3.132  -3.063
   56    HB2  CYS 573           1HB      CYS 573  -2.515   4.338  -5.061
   57    HB3  CYS 573           2HB      CYS 573  -4.161   4.862  -5.345
   58    HA   PRO 574           HA       PRO 574  -7.107   3.650  -0.939
   59    HB2  PRO 574           1HB      PRO 574  -6.180   4.545   1.500
   60    HB3  PRO 574           2HB      PRO 574  -5.992   2.857   0.922
   61    HG2  PRO 574           1HG      PRO 574  -4.035   5.145   0.709
   62    HG3  PRO 574           2HG      PRO 574  -3.714   3.485   1.337
   63    HD2  PRO 574           1HD      PRO 574  -3.074   4.175  -1.168
   64    HD3  PRO 574           2HD      PRO 574  -3.757   2.556  -0.804
   65    H    ARG 575           H        ARG 575  -5.057   6.243  -1.900
   66    HA   ARG 575           HA       ARG 575  -7.018   8.365  -1.102
   67    HB2  ARG 575           1HB      ARG 575  -4.239   8.395  -2.303
   68    HB3  ARG 575           2HB      ARG 575  -5.281   9.811  -2.347
   69    HG2  ARG 575           1HG      ARG 575  -5.472   9.733   0.140
   70    HG3  ARG 575           2HG      ARG 575  -4.231   8.455   0.162
   71    HD2  ARG 575           1HD      ARG 575  -2.632   9.929  -0.941
   72    HD3  ARG 575           2HD      ARG 575  -3.867  11.164  -1.205
   73    HE   ARG 575           HE       ARG 575  -3.782  10.783   1.562
   74   HH11  ARG 575          1HH1      ARG 575  -1.461  11.830  -0.858
   75   HH12  ARG 575          2HH1      ARG 575  -0.669  12.917   0.241
   76   HH21  ARG 575          1HH2      ARG 575  -2.721  12.208   2.912
   77   HH22  ARG 575          2HH2      ARG 575  -1.357  13.111   2.325
   78    H    CYS 576           H        CYS 576  -5.494   7.089  -4.081
   79    HA   CYS 576           HA       CYS 576  -7.628   8.456  -5.663
   80    HB2  CYS 576           1HB      CYS 576  -6.020   9.251  -7.182
   81    HB3  CYS 576           2HB      CYS 576  -5.476   9.685  -5.563
   82    H    GLN 577           H        GLN 577  -6.563   5.438  -4.978
   83    HA   GLN 577           HA       GLN 577  -6.953   3.420  -5.771
   84    HB2  GLN 577           1HB      GLN 577  -9.073   4.779  -7.450
   85    HB3  GLN 577           2HB      GLN 577  -8.995   3.054  -7.142
   86    HG2  GLN 577           1HG      GLN 577  -9.235   5.056  -4.855
   87    HG3  GLN 577           2HG      GLN 577 -10.622   4.460  -5.750
   88   HE21  GLN 577          1HE2      GLN 577  -7.947   3.386  -3.581
   89   HE22  GLN 577          2HE2      GLN 577  -8.802   1.920  -3.106
   90    H    SER 578           H        SER 578  -5.101   5.250  -7.569
   91    HA   SER 578           HA       SER 578  -4.944   3.653 -10.014
   92    HB2  SER 578           1HB      SER 578  -3.231   5.782  -8.732
   93    HB3  SER 578           2HB      SER 578  -2.555   4.770 -10.013
   94    HG   SER 578           HG       SER 578  -3.496   6.284 -11.181
   95    HA   PRO 579           HA       PRO 579  -2.664   0.193  -8.408
   96    HB2  PRO 579           1HB      PRO 579  -0.981  -0.498 -10.461
   97    HB3  PRO 579           2HB      PRO 579  -2.745  -0.790 -10.483
   98    HG2  PRO 579           1HG      PRO 579  -1.220   1.549 -11.672
   99    HG3  PRO 579           2HG      PRO 579  -2.465   0.531 -12.474
  100    HD2  PRO 579           1HD      PRO 579  -3.101   2.928 -11.394
  101    HD3  PRO 579           2HD      PRO 579  -4.210   1.535 -11.199
  102    H    ALA 580           H        ALA 580  -1.430   0.646  -6.802
  103    HA   ALA 580           HA       ALA 580   0.941   2.377  -6.884
  104    HB1  ALA 580           1HB      ALA 580   0.971   1.826  -4.439
  105    HB2  ALA 580           2HB      ALA 580  -0.589   2.468  -4.989
  106    HB3  ALA 580           3HB      ALA 580  -0.385   0.722  -4.699
  107    H    LYS 581           H        LYS 581   3.064   1.699  -6.414
  108    HA   LYS 581           HA       LYS 581   3.961  -0.853  -7.462
  109    HB2  LYS 581           1HB      LYS 581   5.281   1.324  -7.425
  110    HB3  LYS 581           2HB      LYS 581   5.520   1.071  -5.682
  111    HG2  LYS 581           1HG      LYS 581   6.593  -1.117  -6.143
  112    HG3  LYS 581           2HG      LYS 581   6.374  -0.870  -7.878
  113    HD2  LYS 581           1HD      LYS 581   8.034   0.917  -6.040
  114    HD3  LYS 581           2HD      LYS 581   8.676  -0.370  -7.070
  115    HE2  LYS 581           1HE      LYS 581   7.769   0.799  -9.083
  116    HE3  LYS 581           2HE      LYS 581   7.202   2.117  -8.050
  117    HZ1  LYS 581           3HZ      LYS 581   9.522   2.521  -7.406
  118    HZ2  LYS 581           1HZ      LYS 581   9.363   2.629  -9.025
  119    HZ3  LYS 581           2HZ      LYS 581  10.044   1.303  -8.365
  120    H    TYR 582           H        TYR 582   3.414  -2.647  -6.466
  121    HA   TYR 582           HA       TYR 582   2.814  -2.729  -3.628
  122    HB2  TYR 582           1HB      TYR 582   1.430  -3.831  -5.403
  123    HB3  TYR 582           2HB      TYR 582   2.804  -4.868  -5.758
  124    HD1  TYR 582           1HD      TYR 582   1.604  -3.978  -2.317
  125    HD2  TYR 582           2HD      TYR 582   1.787  -6.900  -5.470
  126    HE1  TYR 582           1HE      TYR 582   0.838  -5.712  -0.731
  127    HE2  TYR 582           2HE      TYR 582   0.967  -8.662  -3.874
  128    HH   TYR 582           HH       TYR 582   0.256  -7.927  -0.436
  129    H    GLN 583           H        GLN 583   3.980  -3.580  -2.007
  130    HA   GLN 583           HA       GLN 583   6.565  -4.965  -2.585
  131    HB2  GLN 583           1HB      GLN 583   6.092  -3.024  -0.326
  132    HB3  GLN 583           2HB      GLN 583   7.619  -3.650  -0.933
  133    HG2  GLN 583           1HG      GLN 583   7.107  -2.302  -3.106
  134    HG3  GLN 583           2HG      GLN 583   5.783  -1.568  -2.204
  135   HE21  GLN 583          1HE2      GLN 583   7.490   0.207  -3.146
  136   HE22  GLN 583          2HE2      GLN 583   8.564   0.787  -1.880
  137    HA   PRO 584           HA       PRO 584   3.655  -7.456   0.129
  138    HB2  PRO 584           1HB      PRO 584   4.285  -9.952  -0.918
  139    HB3  PRO 584           2HB      PRO 584   3.030  -8.865  -1.562
  140    HG2  PRO 584           1HG      PRO 584   5.880  -9.189  -2.521
  141    HG3  PRO 584           2HG      PRO 584   4.379  -9.123  -3.501
  142    HD2  PRO 584           1HD      PRO 584   5.948  -6.957  -3.204
  143    HD3  PRO 584           2HD      PRO 584   4.167  -6.793  -3.184
  144    H    HIS 585           H        HIS 585   7.084  -7.883  -0.604
  145    HA   HIS 585           HA       HIS 585   7.795  -9.499   1.693
  146    HB2  HIS 585           1HB      HIS 585  10.072  -8.964   1.007
  147    HB3  HIS 585           2HB      HIS 585   9.105  -9.465  -0.371
  148    HD2  HIS 585           2HD      HIS 585  11.825  -7.416  -0.104
  149    HE1  HIS 585           1HE      HIS 585   9.263  -4.854  -2.351
  150    HE2  HIS 585           2HE      HIS 585  11.674  -5.310  -1.680
  151    H    LYS 586           H        LYS 586   7.119  -6.132   1.311
  152    HA   LYS 586           HA       LYS 586   8.148  -5.514   4.067
  153    HB2  LYS 586           1HB      LYS 586   7.848  -3.694   1.640
  154    HB3  LYS 586           2HB      LYS 586   8.302  -3.157   3.262
  155    HG2  LYS 586           1HG      LYS 586  10.306  -4.617   3.204
  156    HG3  LYS 586           2HG      LYS 586   9.895  -5.113   1.552
  157    HD2  LYS 586           1HD      LYS 586  10.086  -2.780   0.777
  158    HD3  LYS 586           2HD      LYS 586  10.468  -2.253   2.434
  159    HE2  LYS 586           1HE      LYS 586  12.466  -3.738   2.432
  160    HE3  LYS 586           2HE      LYS 586  12.090  -4.246   0.783
  161    HZ1  LYS 586           3HZ      LYS 586  12.759  -1.467   1.608
  162    HZ2  LYS 586           1HZ      LYS 586  12.394  -1.921   0.079
  163    HZ3  LYS 586           2HZ      LYS 586  13.750  -2.477   0.798
  164    H    LYS 587           H        LYS 587   5.377  -6.283   2.604
  165    HA   LYS 587           HA       LYS 587   3.184  -5.696   2.578
  166    HB2  LYS 587           1HB      LYS 587   3.896  -5.544   5.521
  167    HB3  LYS 587           2HB      LYS 587   2.233  -5.303   4.965
  168    HG2  LYS 587           1HG      LYS 587   2.239  -7.448   3.796
  169    HG3  LYS 587           2HG      LYS 587   3.911  -7.757   4.304
  170    HD2  LYS 587           1HD      LYS 587   3.274  -7.947   6.616
  171    HD3  LYS 587           2HD      LYS 587   1.690  -7.231   6.306
  172    HE2  LYS 587           1HE      LYS 587   1.392  -9.605   6.609
  173    HE3  LYS 587           2HE      LYS 587   1.028  -9.175   4.937
  174    HZ1  LYS 587           3HZ      LYS 587   3.587 -10.383   5.878
  175    HZ2  LYS 587           1HZ      LYS 587   3.248 -10.014   4.320
  176    HZ3  LYS 587           2HZ      LYS 587   2.410 -11.185   5.087
  177    H    ARG 588           H        ARG 588   4.551  -3.762   1.503
  178    HA   ARG 588           HA       ARG 588   3.295  -1.191   2.416
  179    HB2  ARG 588           1HB      ARG 588   5.747  -1.511   2.935
  180    HB3  ARG 588           2HB      ARG 588   6.071  -1.564   1.220
  181    HG2  ARG 588           1HG      ARG 588   5.297   0.728   0.962
  182    HG3  ARG 588           2HG      ARG 588   4.793   0.788   2.667
  183    HD2  ARG 588           1HD      ARG 588   7.108   0.457   3.389
  184    HD3  ARG 588           2HD      ARG 588   7.634   0.205   1.743
  185    HE   ARG 588           HE       ARG 588   6.309   2.791   2.456
  186   HH11  ARG 588          2HH1      ARG 588   9.322   1.231   1.539
  187   HH12  ARG 588          1HH1      ARG 588  10.182   2.747   1.453
  188   HH21  ARG 588          2HH2      ARG 588   7.467   4.625   2.464
  189   HH22  ARG 588          1HH2      ARG 588   9.137   4.651   1.920
  190    H    GLY 589           H        GLY 589   2.683   0.291   0.822
  191    HA2  GLY 589           1HA      GLY 589   3.002  -0.490  -2.032
  192    HA3  GLY 589           2HA      GLY 589   1.383  -0.173  -1.422
  193    H    LEU 590           H        LEU 590   3.520   1.198  -3.308
  194    HA   LEU 590           HA       LEU 590   3.300   3.973  -2.201
  195    HB2  LEU 590           1HB      LEU 590   5.490   2.776  -3.934
  196    HB3  LEU 590           2HB      LEU 590   5.322   4.486  -3.552
  197    HG   LEU 590           HG       LEU 590   5.938   2.245  -1.588
  198   HD11  LEU 590          1HD1      LEU 590   8.051   3.445  -1.313
  199   HD12  LEU 590          2HD1      LEU 590   7.520   4.704  -2.450
  200   HD13  LEU 590          3HD1      LEU 590   7.810   3.048  -3.025
  201   HD21  LEU 590          3HD2      LEU 590   4.604   3.688  -0.333
  202   HD22  LEU 590          1HD2      LEU 590   5.205   5.163  -1.125
  203   HD23  LEU 590          2HD2      LEU 590   6.234   4.240   0.019
  204    H    CYS 591           H        CYS 591   2.119   5.370  -3.288
  205    HA   CYS 591           HA       CYS 591   0.643   4.629  -5.564
  206    HB2  CYS 591           1HB      CYS 591   0.051   6.329  -3.827
  207    HB3  CYS 591           2HB      CYS 591   1.229   7.430  -4.606
  208    H    SER 592           H        SER 592   0.615   5.261  -7.664
  209    HA   SER 592           HA       SER 592   3.206   5.833  -8.988
  210    HB2  SER 592           1HB      SER 592   1.732   3.935  -9.680
  211    HB3  SER 592           2HB      SER 592   0.514   5.114 -10.203
  212    HG   SER 592           HG       SER 592   1.907   4.395 -11.911
  213    H    ARG 593           H        ARG 593   0.284   7.544  -8.109
  214    HA   ARG 593           HA       ARG 593   0.480   9.583 -10.225
  215    HB2  ARG 593           1HB      ARG 593  -1.688   8.863  -9.583
  216    HB3  ARG 593           2HB      ARG 593  -1.374   9.114  -7.871
  217    HG2  ARG 593           1HG      ARG 593  -1.307  11.520  -8.142
  218    HG3  ARG 593           2HG      ARG 593  -1.366  11.373  -9.898
  219    HD2  ARG 593           1HD      ARG 593  -3.593  10.416  -8.037
  220    HD3  ARG 593           2HD      ARG 593  -3.525  12.036  -8.719
  221    HE   ARG 593           HE       ARG 593  -3.810  11.180 -10.930
  222   HH11  ARG 593          1HH1      ARG 593  -4.400   8.628  -8.514
  223   HH12  ARG 593          2HH1      ARG 593  -4.978   7.564  -9.758
  224   HH21  ARG 593          1HH2      ARG 593  -4.756   9.762 -12.346
  225   HH22  ARG 593          2HH2      ARG 593  -5.337   8.226 -11.763
  226    H    LEU 594           H        LEU 594   1.840  11.215 -10.140
  227    HA   LEU 594           HA       LEU 594   3.528  11.717  -7.891
  228    HB2  LEU 594           1HB      LEU 594   3.050  13.395 -10.388
  229    HB3  LEU 594           2HB      LEU 594   4.396  13.590  -9.270
  230    HG   LEU 594           HG       LEU 594   3.881  11.138 -11.009
  231   HD11  LEU 594          1HD1      LEU 594   5.885  11.876 -12.214
  232   HD12  LEU 594          2HD1      LEU 594   6.024  13.297 -11.155
  233   HD13  LEU 594          3HD1      LEU 594   4.635  13.130 -12.254
  234   HD21  LEU 594          3HD2      LEU 594   6.189  11.765  -9.115
  235   HD22  LEU 594          1HD2      LEU 594   6.163  10.436 -10.297
  236   HD23  LEU 594          2HD2      LEU 594   5.016  10.434  -8.956
  237    H    ALA 595           H        ALA 595   0.515  13.278  -8.815
  238    HA   ALA 595           HA       ALA 595   0.764  15.492  -6.944
  239    HB1  ALA 595           1HB      ALA 595  -1.655  14.343  -8.404
  240    HB2  ALA 595           2HB      ALA 595  -1.567  15.921  -7.593
  241    HB3  ALA 595           3HB      ALA 595  -0.567  15.611  -9.022
  242    H    CYS 596           H        CYS 596   0.245  12.217  -6.410
  243    HA   CYS 596           HA       CYS 596  -1.445  12.548  -3.970
  244    HB2  CYS 596           1HB      CYS 596  -2.432  11.257  -5.750
  245    HB3  CYS 596           2HB      CYS 596  -0.965  10.305  -5.949
  246    H    GLY 597           H        GLY 597   1.110  10.410  -5.234
  247    HA2  GLY 597           1HA      GLY 597   3.018   9.488  -4.324
  248    HA3  GLY 597           2HA      GLY 597   3.234  11.091  -3.608
  249    H    PHE 598           H        PHE 598   1.239   8.143  -2.978
  250    HA   PHE 598           HA       PHE 598   1.361   8.749  -0.087
  251    HB2  PHE 598           1HB      PHE 598  -0.836   8.745  -1.329
  252    HB3  PHE 598           2HB      PHE 598  -0.687   7.007  -1.528
  253    HD1  PHE 598           2HD      PHE 598  -0.430   9.680   1.140
  254    HD2  PHE 598           1HD      PHE 598  -1.672   5.673   0.187
  255    HE1  PHE 598           2HE      PHE 598  -1.423   9.458   3.408
  256    HE2  PHE 598           1HE      PHE 598  -2.657   5.455   2.480
  257    HZ   PHE 598           HZ       PHE 598  -2.580   7.329   4.050
  258    H    ASP 599           H        ASP 599   1.469   7.065   1.436
  259    HA   ASP 599           HA       ASP 599   2.974   4.632   0.605
  260    HB2  ASP 599           1HB      ASP 599   4.521   6.478   1.215
  261    HB3  ASP 599           2HB      ASP 599   3.716   6.646   2.774
  262    H    PHE 600           H        PHE 600   1.635   3.023   1.175
  263    HA   PHE 600           HA       PHE 600   0.153   3.251   3.756
  264    HB2  PHE 600           1HB      PHE 600  -1.825   2.463   2.700
  265    HB3  PHE 600           2HB      PHE 600  -1.216   3.872   1.871
  266    HD1  PHE 600           2HD      PHE 600  -0.319   3.748  -0.425
  267    HD2  PHE 600           1HD      PHE 600  -1.930   0.288   1.573
  268    HE1  PHE 600           2HE      PHE 600  -0.605   2.622  -2.603
  269    HE2  PHE 600           1HE      PHE 600  -2.203  -0.853  -0.611
  270    HZ   PHE 600           HZ       PHE 600  -1.555   0.314  -2.711
  271    H    CYS 601           H        CYS 601  -0.662   1.485   4.731
  272    HA   CYS 601           HA       CYS 601   0.921  -0.979   4.692
  273    HB2  CYS 601           1HB      CYS 601   0.219   0.001   6.809
  274    HB3  CYS 601           2HB      CYS 601  -1.462   0.049   6.267
  275    H    VAL 602           H        VAL 602   0.423  -2.694   3.481
  276    HA   VAL 602           HA       VAL 602  -1.923  -2.624   1.742
  277    HB   VAL 602           HB       VAL 602  -1.013  -4.558   0.637
  278   HG11  VAL 602          1HG1      VAL 602  -0.119  -2.358   0.054
  279   HG12  VAL 602          2HG1      VAL 602   1.128  -2.511   1.305
  280   HG13  VAL 602          3HG1      VAL 602   1.138  -3.588  -0.095
  281   HG21  VAL 602          3HG2      VAL 602   0.857  -4.728   3.005
  282   HG22  VAL 602          1HG2      VAL 602  -0.164  -5.984   2.305
  283   HG23  VAL 602          2HG2      VAL 602   1.276  -5.428   1.431
  284    H    LEU 603           H        LEU 603  -1.637  -3.740   4.875
  285    HA   LEU 603           HA       LEU 603  -3.643  -5.922   4.545
  286    HB2  LEU 603           1HB      LEU 603  -2.112  -4.932   6.957
  287    HB3  LEU 603           2HB      LEU 603  -3.332  -6.196   6.995
  288    HG   LEU 603           HG       LEU 603  -0.633  -6.320   5.593
  289   HD11  LEU 603          1HD1      LEU 603  -1.877  -7.840   7.933
  290   HD12  LEU 603          2HD1      LEU 603  -0.602  -6.610   8.038
  291   HD13  LEU 603          3HD1      LEU 603  -0.280  -8.162   7.246
  292   HD21  LEU 603          3HD2      LEU 603  -2.202  -7.563   4.193
  293   HD22  LEU 603          1HD2      LEU 603  -2.897  -8.367   5.622
  294   HD23  LEU 603          2HD2      LEU 603  -1.229  -8.708   5.115
  295    H    CYS 604           H        CYS 604  -3.372  -2.645   5.977
  296    HA   CYS 604           HA       CYS 604  -6.301  -2.722   6.520
  297    HB2  CYS 604           1HB      CYS 604  -6.010  -1.488   8.484
  298    HB3  CYS 604           2HB      CYS 604  -5.091  -2.986   8.575
  299    H    LEU 605           H        LEU 605  -4.191  -1.240   4.563
  300    HA   LEU 605           HA       LEU 605  -4.305   0.501   3.130
  301    HB2  LEU 605           1HB      LEU 605  -7.261  -0.033   3.533
  302    HB3  LEU 605           2HB      LEU 605  -6.652   1.045   2.290
  303    HG   LEU 605           HG       LEU 605  -5.917  -1.902   2.477
  304   HD11  LEU 605          1HD1      LEU 605  -8.299  -1.538   1.927
  305   HD12  LEU 605          2HD1      LEU 605  -7.399  -2.160   0.534
  306   HD13  LEU 605          3HD1      LEU 605  -7.831  -0.436   0.612
  307   HD21  LEU 605          3HD2      LEU 605  -4.162  -0.672   1.320
  308   HD22  LEU 605          1HD2      LEU 605  -5.357   0.243   0.372
  309   HD23  LEU 605          2HD2      LEU 605  -5.134  -1.503   0.110
  310    H    CYS 606           H        CYS 606  -3.805   1.309   5.732
  311    HA   CYS 606           HA       CYS 606  -4.625   4.186   5.534
  312    HB2  CYS 606           1HB      CYS 606  -4.004   2.530   8.014
  313    HB3  CYS 606           2HB      CYS 606  -4.171   4.293   8.007
  314    HG   CYS 606           HG       CYS 606  -6.388   2.130   6.846
  315    H    ALA 607           H        ALA 607  -2.824   5.552   6.698
  316    HA   ALA 607           HA       ALA 607  -0.488   5.474   5.138
  317    HB1  ALA 607           1HB      ALA 607  -0.908   6.694   7.900
  318    HB2  ALA 607           2HB      ALA 607   0.400   7.099   6.767
  319    HB3  ALA 607           3HB      ALA 607  -1.281   7.468   6.339
  320    H    TYR 608           H        TYR 608   1.434   4.487   5.260
  321    HA   TYR 608           HA       TYR 608   1.609   1.982   6.393
  322    HB2  TYR 608           1HB      TYR 608   2.854   2.776   4.451
  323    HB3  TYR 608           2HB      TYR 608   3.835   3.822   5.464
  324    HD1  TYR 608           1HD      TYR 608   2.865   0.207   5.027
  325    HD2  TYR 608           2HD      TYR 608   5.917   3.021   6.222
  326    HE1  TYR 608           1HE      TYR 608   4.541  -1.621   5.056
  327    HE2  TYR 608           2HE      TYR 608   7.599   1.179   6.234
  328    HH   TYR 608           HH       TYR 608   6.774  -2.020   4.909
  329    H    HIS 609           H        HIS 609   2.298   1.046   8.187
  330    HA   HIS 609           HA       HIS 609   3.555   2.696  10.316
  331    HB2  HIS 609           1HB      HIS 609   2.125   1.578  11.942
  332    HB3  HIS 609           2HB      HIS 609   1.206   2.464  10.737
  333    HD1  HIS 609           1HD      HIS 609   2.167  -1.228  11.496
  334    HD2  HIS 609           2HD      HIS 609  -0.704   1.140   9.527
  335    HE1  HIS 609           1HE      HIS 609   0.366  -2.815  10.758
  336    H    GLY 610           H        GLY 610   4.766   0.727   8.366
  337    HA2  GLY 610           1HA      GLY 610   6.560  -0.732   8.391
  338    HA3  GLY 610           2HA      GLY 610   6.950   0.089   9.896
  339    H    SER 611           H        SER 611   7.445  -1.308  11.423
  340    HA   SER 611           HA       SER 611   6.583  -4.121  11.371
  341    HB2  SER 611           1HB      SER 611   8.340  -2.644  13.363
  342    HB3  SER 611           2HB      SER 611   8.167  -4.401  13.199
  343    HG   SER 611           HG       SER 611  10.033  -3.604  12.116
  344    H    GLU 612           H        GLU 612   5.033  -1.422  12.689
  345    HA   GLU 612           HA       GLU 612   4.093  -2.682  15.175
  346    HB2  GLU 612           1HB      GLU 612   3.075  -0.216  13.710
  347    HB3  GLU 612           2HB      GLU 612   2.563  -0.769  15.304
  348    HG2  GLU 612           1HG      GLU 612   4.931  -0.546  16.111
  349    HG3  GLU 612           2HG      GLU 612   5.370   0.151  14.551
  350    H    ASP 613           H        ASP 613   1.795  -3.168  15.578
  351    HA   ASP 613           HA       ASP 613   0.642  -4.782  13.442
  352    HB2  ASP 613           1HB      ASP 613   0.679  -5.410  15.875
  353    HB3  ASP 613           2HB      ASP 613  -0.499  -4.121  16.166
  354    H    CYS 614           H        CYS 614  -1.595  -4.651  12.809
  355    HA   CYS 614           HA       CYS 614  -2.260  -2.031  11.756
  356    HB2  CYS 614           1HB      CYS 614  -3.526  -4.785  11.535
  357    HB3  CYS 614           2HB      CYS 614  -4.206  -3.365  10.749
  358    H    ARG 615           H        ARG 615  -4.430  -1.191  11.731
  359    HA   ARG 615           HA       ARG 615  -5.210  -0.277  14.291
  360    HB2  ARG 615           1HB      ARG 615  -7.009   0.905  13.101
  361    HB3  ARG 615           2HB      ARG 615  -5.454   1.053  12.283
  362    HG2  ARG 615           1HG      ARG 615  -6.169  -0.774  10.691
  363    HG3  ARG 615           2HG      ARG 615  -7.766  -0.769  11.457
  364    HD2  ARG 615           1HD      ARG 615  -8.093   1.584  10.803
  365    HD3  ARG 615           2HD      ARG 615  -6.446   1.657  10.180
  366    HE   ARG 615           HE       ARG 615  -7.035   0.448   8.281
  367   HH11  ARG 615          1HH1      ARG 615  -9.865   0.521  10.362
  368   HH12  ARG 615          2HH1      ARG 615 -10.912  -0.008   9.073
  369   HH21  ARG 615          1HH2      ARG 615  -8.365  -0.178   6.747
  370   HH22  ARG 615          2HH2      ARG 615 -10.080  -0.405   7.046
  371    H    ARG 616           H        ARG 616  -7.025  -0.451  15.511
  372    HA   ARG 616           HA       ARG 616  -8.422  -3.081  15.478
  373    HB2  ARG 616           1HB      ARG 616  -7.088  -2.386  17.466
  374    HB3  ARG 616           2HB      ARG 616  -8.168  -1.004  17.690
  375    HG2  ARG 616           1HG      ARG 616 -10.064  -2.529  18.114
  376    HG3  ARG 616           2HG      ARG 616  -9.049  -3.928  17.730
  377    HD2  ARG 616           1HD      ARG 616  -9.272  -3.735  20.125
  378    HD3  ARG 616           2HD      ARG 616  -7.603  -3.426  19.673
  379    HE   ARG 616           HE       ARG 616  -9.644  -1.391  20.523
  380   HH11  ARG 616          1HH1      ARG 616  -6.233  -2.110  20.097
  381   HH12  ARG 616          2HH1      ARG 616  -5.742  -0.634  20.880
  382   HH21  ARG 616          1HH2      ARG 616  -8.937   0.456  21.508
  383   HH22  ARG 616          2HH2      ARG 616  -7.234   0.771  21.657
  384    H    GLY 617           H        GLY 617 -10.629  -3.278  15.601
  385    HA2  GLY 617           1HA      GLY 617 -12.289  -1.344  14.241
  386    HA3  GLY 617           2HA      GLY 617 -12.826  -2.839  15.005
  Start of MODEL   11
    1    H    THR 566           1H       THR 566  -1.565 -14.430 -16.813
    2    HA   THR 566           HA       THR 566  -1.229 -12.227 -15.980
    3    HB   THR 566           HB       THR 566  -3.518 -12.821 -14.074
    4    HG1  THR 566           1HG      THR 566  -4.578 -11.276 -15.316
    5   HG21  THR 566          1HG2      THR 566  -3.338 -10.384 -13.583
    6   HG22  THR 566          2HG2      THR 566  -1.889 -10.286 -14.609
    7   HG23  THR 566          3HG2      THR 566  -1.872 -11.245 -13.108
    8    H    ASP 567           H        ASP 567   0.538 -12.208 -14.734
    9    HA   ASP 567           HA       ASP 567   0.976 -14.387 -12.728
   10    HB2  ASP 567           1HB      ASP 567   2.800 -13.501 -14.997
   11    HB3  ASP 567           2HB      ASP 567   3.251 -14.630 -13.721
   12    H    GLU 568           H        GLU 568   0.310 -11.513 -12.371
   13    HA   GLU 568           HA       GLU 568   2.545 -10.667 -10.621
   14    HB2  GLU 568           1HB      GLU 568   2.582  -8.439 -11.570
   15    HB3  GLU 568           2HB      GLU 568   2.966  -9.628 -12.808
   16    HG2  GLU 568           1HG      GLU 568   0.595  -9.466 -13.649
   17    HG3  GLU 568           2HG      GLU 568   0.285  -8.213 -12.446
   18    H    ALA 569           H        ALA 569   1.850  -8.549  -9.423
   19    HA   ALA 569           HA       ALA 569  -0.985  -8.350  -8.791
   20    HB1  ALA 569           1HB      ALA 569   1.121  -9.063  -6.696
   21    HB2  ALA 569           2HB      ALA 569  -0.540  -8.556  -6.355
   22    HB3  ALA 569           3HB      ALA 569  -0.243 -10.097  -7.202
   23    H    LEU 570           H        LEU 570  -1.439  -6.348  -8.428
   24    HA   LEU 570           HA       LEU 570   0.320  -4.438  -7.080
   25    HB2  LEU 570           1HB      LEU 570  -0.925  -3.868  -9.799
   26    HB3  LEU 570           2HB      LEU 570  -0.234  -2.636  -8.745
   27    HG   LEU 570           HG       LEU 570   1.354  -4.955  -9.941
   28   HD11  LEU 570          1HD1      LEU 570   2.298  -3.291 -11.420
   29   HD12  LEU 570          2HD1      LEU 570   1.219  -2.043 -10.738
   30   HD13  LEU 570          3HD1      LEU 570   0.543  -3.422 -11.649
   31   HD21  LEU 570          3HD2      LEU 570   2.354  -4.006  -7.862
   32   HD22  LEU 570          1HD2      LEU 570   2.291  -2.386  -8.601
   33   HD23  LEU 570          2HD2      LEU 570   3.327  -3.656  -9.292
   34    H    LYS 571           H        LYS 571  -0.861  -3.364  -5.591
   35    HA   LYS 571           HA       LYS 571  -3.793  -3.708  -5.585
   36    HB2  LYS 571           1HB      LYS 571  -2.042  -2.519  -3.410
   37    HB3  LYS 571           2HB      LYS 571  -3.753  -2.852  -3.304
   38    HG2  LYS 571           1HG      LYS 571  -3.076  -5.328  -3.916
   39    HG3  LYS 571           2HG      LYS 571  -1.465  -4.821  -3.371
   40    HD2  LYS 571           1HD      LYS 571  -2.542  -4.060  -1.193
   41    HD3  LYS 571           2HD      LYS 571  -4.080  -4.707  -1.795
   42    HE2  LYS 571           1HE      LYS 571  -2.804  -6.937  -2.134
   43    HE3  LYS 571           2HE      LYS 571  -1.532  -6.237  -1.139
   44    HZ1  LYS 571           3HZ      LYS 571  -3.213  -5.959   0.654
   45    HZ2  LYS 571           1HZ      LYS 571  -3.079  -7.526   0.205
   46    HZ3  LYS 571           2HZ      LYS 571  -4.356  -6.645  -0.295
   47    HA   PRO 572           HA       PRO 572  -4.621   0.563  -6.664
   48    HB2  PRO 572           1HB      PRO 572  -7.105   0.911  -5.592
   49    HB3  PRO 572           2HB      PRO 572  -6.802  -0.051  -7.055
   50    HG2  PRO 572           1HG      PRO 572  -7.173  -1.002  -4.198
   51    HG3  PRO 572           2HG      PRO 572  -7.874  -1.696  -5.692
   52    HD2  PRO 572           1HD      PRO 572  -5.611  -2.691  -4.441
   53    HD3  PRO 572           2HD      PRO 572  -5.877  -2.820  -6.206
   54    H    CYS 573           H        CYS 573  -4.001   2.394  -5.764
   55    HA   CYS 573           HA       CYS 573  -3.197   2.872  -3.131
   56    HB2  CYS 573           1HB      CYS 573  -2.447   4.093  -5.052
   57    HB3  CYS 573           2HB      CYS 573  -4.080   4.559  -5.475
   58    HA   PRO 574           HA       PRO 574  -7.155   3.372  -1.088
   59    HB2  PRO 574           1HB      PRO 574  -6.300   4.299   1.356
   60    HB3  PRO 574           2HB      PRO 574  -6.030   2.621   0.789
   61    HG2  PRO 574           1HG      PRO 574  -4.161   4.983   0.591
   62    HG3  PRO 574           2HG      PRO 574  -3.789   3.342   1.246
   63    HD2  PRO 574           1HD      PRO 574  -3.135   4.019  -1.261
   64    HD3  PRO 574           2HD      PRO 574  -3.767   2.384  -0.881
   65    H    ARG 575           H        ARG 575  -5.138   6.016  -2.014
   66    HA   ARG 575           HA       ARG 575  -7.141   8.101  -1.236
   67    HB2  ARG 575           1HB      ARG 575  -4.370   8.169  -2.450
   68    HB3  ARG 575           2HB      ARG 575  -5.434   9.566  -2.510
   69    HG2  ARG 575           1HG      ARG 575  -5.628   9.495  -0.011
   70    HG3  ARG 575           2HG      ARG 575  -4.338   8.266   0.005
   71    HD2  ARG 575           1HD      ARG 575  -2.814   9.807  -1.133
   72    HD3  ARG 575           2HD      ARG 575  -4.103  10.992  -1.360
   73    HE   ARG 575           HE       ARG 575  -3.970  10.614   1.394
   74   HH11  ARG 575          1HH1      ARG 575  -1.658  11.694  -1.026
   75   HH12  ARG 575          2HH1      ARG 575  -0.889  12.793   0.075
   76   HH21  ARG 575          1HH2      ARG 575  -2.932  12.054   2.741
   77   HH22  ARG 575          2HH2      ARG 575  -1.581  12.977   2.155
   78    H    CYS 576           H        CYS 576  -5.622   6.833  -4.217
   79    HA   CYS 576           HA       CYS 576  -7.792   8.151  -5.793
   80    HB2  CYS 576           1HB      CYS 576  -6.196   8.879  -7.371
   81    HB3  CYS 576           2HB      CYS 576  -5.654   9.375  -5.759
   82    H    GLN 577           H        GLN 577  -6.631   5.134  -5.097
   83    HA   GLN 577           HA       GLN 577  -6.842   3.104  -5.934
   84    HB2  GLN 577           1HB      GLN 577  -8.998   4.241  -7.727
   85    HB3  GLN 577           2HB      GLN 577  -8.759   2.540  -7.373
   86    HG2  GLN 577           1HG      GLN 577  -9.357   4.556  -5.163
   87    HG3  GLN 577           2HG      GLN 577 -10.610   3.791  -6.121
   88   HE21  GLN 577          1HE2      GLN 577  -7.948   3.039  -3.788
   89   HE22  GLN 577          2HE2      GLN 577  -8.691   1.518  -3.304
   90    H    SER 578           H        SER 578  -5.063   5.145  -7.463
   91    HA   SER 578           HA       SER 578  -4.571   3.951 -10.038
   92    HB2  SER 578           1HB      SER 578  -2.620   5.375  -8.178
   93    HB3  SER 578           2HB      SER 578  -2.386   5.054  -9.901
   94    HG   SER 578           HG       SER 578  -4.037   6.906  -8.612
   95    HA   PRO 579           HA       PRO 579  -2.463   0.192  -8.687
   96    HB2  PRO 579           1HB      PRO 579  -0.695  -0.274 -10.732
   97    HB3  PRO 579           2HB      PRO 579  -2.450  -0.568 -10.863
   98    HG2  PRO 579           1HG      PRO 579  -0.883   1.881 -11.731
   99    HG3  PRO 579           2HG      PRO 579  -2.099   0.967 -12.686
  100    HD2  PRO 579           1HD      PRO 579  -2.746   3.251 -11.370
  101    HD3  PRO 579           2HD      PRO 579  -3.888   1.869 -11.402
  102    H    ALA 580           H        ALA 580  -1.302   0.532  -6.974
  103    HA   ALA 580           HA       ALA 580   1.046   2.304  -6.877
  104    HB1  ALA 580           1HB      ALA 580   0.953   1.731  -4.453
  105    HB2  ALA 580           2HB      ALA 580  -0.594   2.343  -5.073
  106    HB3  ALA 580           3HB      ALA 580  -0.364   0.598  -4.793
  107    H    LYS 581           H        LYS 581   3.155   1.658  -6.441
  108    HA   LYS 581           HA       LYS 581   4.099  -0.877  -7.461
  109    HB2  LYS 581           1HB      LYS 581   5.385   1.324  -7.381
  110    HB3  LYS 581           2HB      LYS 581   5.621   1.036  -5.643
  111    HG2  LYS 581           1HG      LYS 581   6.721  -1.125  -6.139
  112    HG3  LYS 581           2HG      LYS 581   6.502  -0.854  -7.871
  113    HD2  LYS 581           1HD      LYS 581   8.139   0.926  -6.006
  114    HD3  LYS 581           2HD      LYS 581   8.797  -0.342  -7.051
  115    HE2  LYS 581           1HE      LYS 581   7.878   0.842  -9.051
  116    HE3  LYS 581           2HE      LYS 581   7.298   2.142  -8.002
  117    HZ1  LYS 581           3HZ      LYS 581   9.454   2.686  -8.972
  118    HZ2  LYS 581           1HZ      LYS 581  10.147   1.359  -8.326
  119    HZ3  LYS 581           2HZ      LYS 581   9.613   2.559  -7.353
  120    H    TYR 582           H        TYR 582   3.627  -2.700  -6.494
  121    HA   TYR 582           HA       TYR 582   2.913  -2.776  -3.683
  122    HB2  TYR 582           1HB      TYR 582   1.575  -3.830  -5.506
  123    HB3  TYR 582           2HB      TYR 582   2.920  -4.913  -5.822
  124    HD1  TYR 582           1HD      TYR 582   1.828  -4.057  -2.345
  125    HD2  TYR 582           2HD      TYR 582   1.593  -6.820  -5.634
  126    HE1  TYR 582           1HE      TYR 582   0.894  -5.770  -0.823
  127    HE2  TYR 582           2HE      TYR 582   0.621  -8.558  -4.095
  128    HH   TYR 582           HH       TYR 582  -0.117  -9.010  -1.965
  129    H    GLN 583           H        GLN 583   4.037  -3.573  -2.024
  130    HA   GLN 583           HA       GLN 583   6.563  -5.093  -2.494
  131    HB2  GLN 583           1HB      GLN 583   6.169  -3.105  -0.265
  132    HB3  GLN 583           2HB      GLN 583   7.666  -3.753  -0.918
  133    HG2  GLN 583           1HG      GLN 583   7.136  -2.361  -3.055
  134    HG3  GLN 583           2HG      GLN 583   5.830  -1.627  -2.125
  135   HE21  GLN 583          1HE2      GLN 583   7.515   0.158  -3.050
  136   HE22  GLN 583          2HE2      GLN 583   8.613   0.710  -1.791
  137    HA   PRO 584           HA       PRO 584   3.451  -7.339   0.208
  138    HB2  PRO 584           1HB      PRO 584   3.894  -9.888  -0.818
  139    HB3  PRO 584           2HB      PRO 584   2.728  -8.712  -1.466
  140    HG2  PRO 584           1HG      PRO 584   5.542  -9.258  -2.425
  141    HG3  PRO 584           2HG      PRO 584   4.053  -9.073  -3.405
  142    HD2  PRO 584           1HD      PRO 584   5.799  -7.049  -3.108
  143    HD3  PRO 584           2HD      PRO 584   4.037  -6.739  -3.101
  144    H    HIS 585           H        HIS 585   6.855  -7.954  -0.413
  145    HA   HIS 585           HA       HIS 585   7.380  -9.630   1.907
  146    HB2  HIS 585           1HB      HIS 585   9.710  -9.260   1.284
  147    HB3  HIS 585           2HB      HIS 585   8.750  -9.718  -0.115
  148    HD2  HIS 585           2HD      HIS 585  11.601  -7.886   0.160
  149    HE1  HIS 585           1HE      HIS 585   9.277  -5.140  -2.127
  150    HE2  HIS 585           2HE      HIS 585  11.636  -5.785  -1.429
  151    H    LYS 586           H        LYS 586   7.089  -6.203   1.383
  152    HA   LYS 586           HA       LYS 586   8.021  -5.584   4.171
  153    HB2  LYS 586           1HB      LYS 586   7.791  -3.812   1.701
  154    HB3  LYS 586           2HB      LYS 586   8.237  -3.247   3.316
  155    HG2  LYS 586           1HG      LYS 586  10.208  -4.745   3.323
  156    HG3  LYS 586           2HG      LYS 586   9.808  -5.281   1.681
  157    HD2  LYS 586           1HD      LYS 586  10.052  -2.976   0.841
  158    HD3  LYS 586           2HD      LYS 586  10.416  -2.405   2.485
  159    HE2  LYS 586           1HE      LYS 586  12.396  -3.909   2.559
  160    HE3  LYS 586           2HE      LYS 586  12.034  -4.472   0.924
  161    HZ1  LYS 586           3HZ      LYS 586  13.715  -2.722   0.897
  162    HZ2  LYS 586           1HZ      LYS 586  12.725  -1.673   1.657
  163    HZ3  LYS 586           2HZ      LYS 586  12.375  -2.178   0.141
  164    H    LYS 587           H        LYS 587   5.258  -6.296   2.669
  165    HA   LYS 587           HA       LYS 587   3.082  -5.671   2.602
  166    HB2  LYS 587           1HB      LYS 587   3.665  -5.268   5.568
  167    HB3  LYS 587           2HB      LYS 587   2.039  -5.301   4.903
  168    HG2  LYS 587           1HG      LYS 587   4.039  -7.593   4.754
  169    HG3  LYS 587           2HG      LYS 587   2.675  -7.466   5.865
  170    HD2  LYS 587           1HD      LYS 587   1.119  -7.382   3.883
  171    HD3  LYS 587           2HD      LYS 587   2.486  -7.697   2.820
  172    HE2  LYS 587           1HE      LYS 587   1.509  -9.536   5.035
  173    HE3  LYS 587           2HE      LYS 587   1.157  -9.702   3.315
  174    HZ1  LYS 587           3HZ      LYS 587   3.646  -9.826   2.970
  175    HZ2  LYS 587           1HZ      LYS 587   3.021 -11.106   3.791
  176    HZ3  LYS 587           2HZ      LYS 587   3.833  -9.936   4.586
  177    H    ARG 588           H        ARG 588   4.567  -3.766   1.553
  178    HA   ARG 588           HA       ARG 588   3.288  -1.180   2.384
  179    HB2  ARG 588           1HB      ARG 588   5.741  -1.518   2.919
  180    HB3  ARG 588           2HB      ARG 588   6.064  -1.558   1.201
  181    HG2  ARG 588           1HG      ARG 588   5.283   0.726   0.947
  182    HG3  ARG 588           2HG      ARG 588   4.756   0.780   2.645
  183    HD2  ARG 588           1HD      ARG 588   7.065   0.472   3.397
  184    HD3  ARG 588           2HD      ARG 588   7.615   0.228   1.759
  185    HE   ARG 588           HE       ARG 588   6.243   2.797   2.439
  186   HH11  ARG 588          1HH1      ARG 588   9.320   1.280   1.667
  187   HH12  ARG 588          2HH1      ARG 588  10.154   2.809   1.596
  188   HH21  ARG 588          1HH2      ARG 588   7.371   4.650   2.480
  189   HH22  ARG 588          2HH2      ARG 588   9.060   4.699   2.002
  190    H    GLY 589           H        GLY 589   2.636   0.248   0.790
  191    HA2  GLY 589           1HA      GLY 589   2.987  -0.527  -2.065
  192    HA3  GLY 589           2HA      GLY 589   1.364  -0.222  -1.458
  193    H    LEU 590           H        LEU 590   3.488   1.168  -3.341
  194    HA   LEU 590           HA       LEU 590   3.237   3.941  -2.235
  195    HB2  LEU 590           1HB      LEU 590   5.443   2.752  -3.956
  196    HB3  LEU 590           2HB      LEU 590   5.270   4.461  -3.573
  197    HG   LEU 590           HG       LEU 590   5.873   2.216  -1.608
  198   HD11  LEU 590          1HD1      LEU 590   7.757   3.012  -3.025
  199   HD12  LEU 590          2HD1      LEU 590   7.984   3.416  -1.313
  200   HD13  LEU 590          3HD1      LEU 590   7.466   4.672  -2.460
  201   HD21  LEU 590          3HD2      LEU 590   5.141   5.135  -1.146
  202   HD22  LEU 590          1HD2      LEU 590   6.155   4.207   0.005
  203   HD23  LEU 590          2HD2      LEU 590   4.526   3.662  -0.365
  204    H    CYS 591           H        CYS 591   1.983   5.289  -3.322
  205    HA   CYS 591           HA       CYS 591   0.625   4.532  -5.676
  206    HB2  CYS 591           1HB      CYS 591  -0.103   6.191  -3.935
  207    HB3  CYS 591           2HB      CYS 591   1.037   7.354  -4.675
  208    H    SER 592           H        SER 592   0.796   5.004  -7.789
  209    HA   SER 592           HA       SER 592   3.428   5.740  -8.894
  210    HB2  SER 592           1HB      SER 592   2.082   3.805  -9.707
  211    HB3  SER 592           2HB      SER 592   0.863   4.940 -10.316
  212    HG   SER 592           HG       SER 592   2.396   4.282 -11.921
  213    H    ARG 593           H        ARG 593   0.410   7.360  -8.251
  214    HA   ARG 593           HA       ARG 593   0.677   9.388 -10.362
  215    HB2  ARG 593           1HB      ARG 593  -1.495   8.559  -9.823
  216    HB3  ARG 593           2HB      ARG 593  -1.291   8.886  -8.103
  217    HG2  ARG 593           1HG      ARG 593  -1.405  11.257  -8.424
  218    HG3  ARG 593           2HG      ARG 593  -1.289  11.087 -10.184
  219    HD2  ARG 593           1HD      ARG 593  -3.464  10.002 -10.285
  220    HD3  ARG 593           2HD      ARG 593  -3.546   9.878  -8.532
  221    HE   ARG 593           HE       ARG 593  -3.711  12.424 -10.118
  222   HH11  ARG 593          1HH1      ARG 593  -4.577  10.693  -7.196
  223   HH12  ARG 593          2HH1      ARG 593  -5.464  12.050  -6.552
  224   HH21  ARG 593          1HH2      ARG 593  -4.889  14.094  -9.251
  225   HH22  ARG 593          2HH2      ARG 593  -5.655  13.908  -7.703
  226    H    LEU 594           H        LEU 594   1.972  11.067 -10.209
  227    HA   LEU 594           HA       LEU 594   3.475  11.675  -7.861
  228    HB2  LEU 594           1HB      LEU 594   3.100  13.298 -10.412
  229    HB3  LEU 594           2HB      LEU 594   4.357  13.566  -9.209
  230    HG   LEU 594           HG       LEU 594   4.066  11.070 -10.938
  231   HD11  LEU 594          1HD1      LEU 594   4.820  13.076 -12.161
  232   HD12  LEU 594          2HD1      LEU 594   6.116  11.877 -12.015
  233   HD13  LEU 594          3HD1      LEU 594   6.121  13.317 -10.972
  234   HD21  LEU 594          3HD2      LEU 594   5.086  10.444  -8.801
  235   HD22  LEU 594          1HD2      LEU 594   6.209  11.822  -8.900
  236   HD23  LEU 594          2HD2      LEU 594   6.321  10.477 -10.059
  237    H    ALA 595           H        ALA 595   0.456  13.070  -8.992
  238    HA   ALA 595           HA       ALA 595   0.474  15.334  -7.169
  239    HB1  ALA 595           1HB      ALA 595  -0.777  15.310  -9.298
  240    HB2  ALA 595           2HB      ALA 595  -1.794  13.980  -8.692
  241    HB3  ALA 595           3HB      ALA 595  -1.857  15.577  -7.918
  242    H    CYS 596           H        CYS 596   0.079  12.021  -6.604
  243    HA   CYS 596           HA       CYS 596  -1.687  12.337  -4.216
  244    HB2  CYS 596           1HB      CYS 596  -2.541  10.996  -6.039
  245    HB3  CYS 596           2HB      CYS 596  -1.056  10.052  -6.107
  246    H    GLY 597           H        GLY 597   0.989  10.267  -5.350
  247    HA2  GLY 597           1HA      GLY 597   2.886   9.414  -4.344
  248    HA3  GLY 597           2HA      GLY 597   3.018  11.036  -3.660
  249    H    PHE 598           H        PHE 598   1.113   8.027  -3.024
  250    HA   PHE 598           HA       PHE 598   1.173   8.678  -0.133
  251    HB2  PHE 598           1HB      PHE 598  -1.014   8.632  -1.377
  252    HB3  PHE 598           2HB      PHE 598  -0.828   6.900  -1.588
  253    HD1  PHE 598           2HD      PHE 598  -0.675   9.553   1.107
  254    HD2  PHE 598           1HD      PHE 598  -1.766   5.517   0.111
  255    HE1  PHE 598           2HE      PHE 598  -1.687   9.279   3.362
  256    HE2  PHE 598           1HE      PHE 598  -2.774   5.247   2.390
  257    HZ   PHE 598           HZ       PHE 598  -2.782   7.104   3.977
  258    H    ASP 599           H        ASP 599   1.358   7.027   1.403
  259    HA   ASP 599           HA       ASP 599   2.894   4.612   0.569
  260    HB2  ASP 599           1HB      ASP 599   4.396   6.484   1.204
  261    HB3  ASP 599           2HB      ASP 599   3.577   6.621   2.758
  262    H    PHE 600           H        PHE 600   1.570   2.983   1.098
  263    HA   PHE 600           HA       PHE 600   0.056   3.158   3.664
  264    HB2  PHE 600           1HB      PHE 600  -1.876   2.285   2.581
  265    HB3  PHE 600           2HB      PHE 600  -1.313   3.721   1.767
  266    HD1  PHE 600           2HD      PHE 600  -0.379   3.645  -0.512
  267    HD2  PHE 600           1HD      PHE 600  -1.903   0.120   1.442
  268    HE1  PHE 600           2HE      PHE 600  -0.635   2.541  -2.704
  269    HE2  PHE 600           1HE      PHE 600  -2.144  -0.999  -0.761
  270    HZ   PHE 600           HZ       PHE 600  -1.528   0.210  -2.842
  271    H    CYS 601           H        CYS 601  -0.713   1.383   4.630
  272    HA   CYS 601           HA       CYS 601   0.922  -1.052   4.611
  273    HB2  CYS 601           1HB      CYS 601   0.186  -0.039   6.714
  274    HB3  CYS 601           2HB      CYS 601  -1.493  -0.061   6.166
  275    H    VAL 602           H        VAL 602   0.450  -2.734   3.331
  276    HA   VAL 602           HA       VAL 602  -1.930  -2.685   1.634
  277    HB   VAL 602           HB       VAL 602  -1.009  -4.585   0.487
  278   HG11  VAL 602          1HG1      VAL 602  -0.110  -2.395  -0.063
  279   HG12  VAL 602          2HG1      VAL 602   1.136  -2.561   1.189
  280   HG13  VAL 602          3HG1      VAL 602   1.141  -3.627  -0.221
  281   HG21  VAL 602          3HG2      VAL 602   1.289  -5.465   1.299
  282   HG22  VAL 602          1HG2      VAL 602   0.808  -4.825   2.882
  283   HG23  VAL 602          2HG2      VAL 602  -0.176  -6.061   2.097
  284    H    LEU 603           H        LEU 603  -1.620  -3.754   4.743
  285    HA   LEU 603           HA       LEU 603  -3.474  -6.067   4.463
  286    HB2  LEU 603           1HB      LEU 603  -1.877  -4.989   6.795
  287    HB3  LEU 603           2HB      LEU 603  -2.966  -6.366   6.889
  288    HG   LEU 603           HG       LEU 603  -0.455  -6.206   5.165
  289   HD11  LEU 603          1HD1      LEU 603   0.014  -6.370   7.574
  290   HD12  LEU 603          2HD1      LEU 603   0.437  -7.876   6.742
  291   HD13  LEU 603          3HD1      LEU 603  -1.057  -7.782   7.699
  292   HD21  LEU 603          3HD2      LEU 603  -2.051  -7.695   4.076
  293   HD22  LEU 603          1HD2      LEU 603  -2.428  -8.487   5.625
  294   HD23  LEU 603          2HD2      LEU 603  -0.832  -8.683   4.879
  295    H    CYS 604           H        CYS 604  -3.390  -2.760   5.790
  296    HA   CYS 604           HA       CYS 604  -6.305  -2.977   6.368
  297    HB2  CYS 604           1HB      CYS 604  -6.075  -1.537   8.250
  298    HB3  CYS 604           2HB      CYS 604  -5.168  -3.033   8.455
  299    H    LEU 605           H        LEU 605  -4.180  -1.439   4.385
  300    HA   LEU 605           HA       LEU 605  -4.301   0.285   2.939
  301    HB2  LEU 605           1HB      LEU 605  -7.270  -0.239   3.262
  302    HB3  LEU 605           2HB      LEU 605  -6.622   0.856   2.057
  303    HG   LEU 605           HG       LEU 605  -5.929  -2.105   2.208
  304   HD11  LEU 605          1HD1      LEU 605  -7.353  -2.301   0.215
  305   HD12  LEU 605          2HD1      LEU 605  -7.758  -0.572   0.310
  306   HD13  LEU 605          3HD1      LEU 605  -8.287  -1.688   1.589
  307   HD21  LEU 605          3HD2      LEU 605  -5.066  -1.677  -0.126
  308   HD22  LEU 605          1HD2      LEU 605  -4.118  -0.883   1.129
  309   HD23  LEU 605          2HD2      LEU 605  -5.269   0.066   0.161
  310    H    CYS 606           H        CYS 606  -3.908   1.000   5.612
  311    HA   CYS 606           HA       CYS 606  -4.799   3.866   5.595
  312    HB2  CYS 606           1HB      CYS 606  -3.847   2.111   7.906
  313    HB3  CYS 606           2HB      CYS 606  -4.278   3.824   8.026
  314    HG   CYS 606           HG       CYS 606  -6.203   1.315   6.998
  315    H    ALA 607           H        ALA 607  -3.023   5.283   6.684
  316    HA   ALA 607           HA       ALA 607  -0.692   5.309   5.081
  317    HB1  ALA 607           1HB      ALA 607  -1.552   7.277   6.285
  318    HB2  ALA 607           2HB      ALA 607  -1.147   6.516   7.843
  319    HB3  ALA 607           3HB      ALA 607   0.142   6.965   6.705
  320    H    TYR 608           H        TYR 608   1.294   4.419   5.231
  321    HA   TYR 608           HA       TYR 608   1.527   1.908   6.345
  322    HB2  TYR 608           1HB      TYR 608   2.778   2.767   4.427
  323    HB3  TYR 608           2HB      TYR 608   3.729   3.804   5.478
  324    HD1  TYR 608           2HD      TYR 608   2.791   0.187   4.990
  325    HD2  TYR 608           1HD      TYR 608   5.824   3.006   6.214
  326    HE1  TYR 608           2HE      TYR 608   4.469  -1.639   5.023
  327    HE2  TYR 608           1HE      TYR 608   7.512   1.170   6.225
  328    HH   TYR 608           HH       TYR 608   6.712  -2.031   4.898
  329    H    HIS 609           H        HIS 609   2.233   0.969   8.125
  330    HA   HIS 609           HA       HIS 609   3.461   2.597  10.292
  331    HB2  HIS 609           1HB      HIS 609   2.014   1.482  11.896
  332    HB3  HIS 609           2HB      HIS 609   1.100   2.375  10.693
  333    HD1  HIS 609           1HD      HIS 609   2.071  -1.317  11.407
  334    HD2  HIS 609           2HD      HIS 609  -0.828   1.062   9.502
  335    HE1  HIS 609           1HE      HIS 609   0.237  -2.904  10.703
  336    H    GLY 610           H        GLY 610   4.699   0.686   8.316
  337    HA2  GLY 610           1HA      GLY 610   6.464  -0.805   8.329
  338    HA3  GLY 610           2HA      GLY 610   6.807  -0.111   9.907
  339    H    SER 611           H        SER 611   7.242  -1.679  11.283
  340    HA   SER 611           HA       SER 611   6.187  -4.412  11.018
  341    HB2  SER 611           1HB      SER 611   8.027  -3.219  13.122
  342    HB3  SER 611           2HB      SER 611   7.735  -4.942  12.818
  343    HG   SER 611           HG       SER 611   9.659  -4.196  11.805
  344    H    GLU 612           H        GLU 612   4.741  -1.750  12.458
  345    HA   GLU 612           HA       GLU 612   3.806  -3.037  14.917
  346    HB2  GLU 612           1HB      GLU 612   2.801  -0.555  13.470
  347    HB3  GLU 612           2HB      GLU 612   2.248  -1.098  15.045
  348    HG2  GLU 612           1HG      GLU 612   5.048  -0.179  14.355
  349    HG3  GLU 612           2HG      GLU 612   3.831   0.675  15.308
  350    H    ASP 613           H        ASP 613   1.431  -3.072  15.352
  351    HA   ASP 613           HA       ASP 613   0.170  -4.964  13.453
  352    HB2  ASP 613           1HB      ASP 613  -0.605  -4.078  16.253
  353    HB3  ASP 613           2HB      ASP 613  -1.522  -5.221  15.276
  354    H    CYS 614           H        CYS 614  -1.725  -4.667  12.351
  355    HA   CYS 614           HA       CYS 614  -2.638  -2.044  11.703
  356    HB2  CYS 614           1HB      CYS 614  -3.876  -4.789  11.242
  357    HB3  CYS 614           2HB      CYS 614  -4.392  -3.306  10.457
  358    H    ARG 615           H        ARG 615  -4.665  -1.102  12.009
  359    HA   ARG 615           HA       ARG 615  -5.886  -1.511  14.661
  360    HB2  ARG 615           1HB      ARG 615  -7.079   0.548  14.257
  361    HB3  ARG 615           2HB      ARG 615  -5.356   0.756  13.957
  362    HG2  ARG 615           1HG      ARG 615  -5.741   0.671  11.512
  363    HG3  ARG 615           2HG      ARG 615  -7.473   0.380  11.781
  364    HD2  ARG 615           1HD      ARG 615  -7.662   2.529  12.977
  365    HD3  ARG 615           2HD      ARG 615  -5.935   2.844  12.711
  366    HE   ARG 615           HE       ARG 615  -6.891   2.441  10.160
  367   HH11  ARG 615          1HH1      ARG 615  -7.844   4.670  12.698
  368   HH12  ARG 615          2HH1      ARG 615  -8.424   5.856  11.561
  369   HH21  ARG 615          1HH2      ARG 615  -7.625   4.001   8.778
  370   HH22  ARG 615          2HH2      ARG 615  -8.309   5.480   9.397
  371    H    ARG 616           H        ARG 616  -8.169  -1.598  15.001
  372    HA   ARG 616           HA       ARG 616  -9.485  -3.690  13.492
  373    HB2  ARG 616           1HB      ARG 616  -9.694  -3.357  15.946
  374    HB3  ARG 616           2HB      ARG 616 -10.568  -1.845  15.667
  375    HG2  ARG 616           1HG      ARG 616 -12.393  -3.079  14.557
  376    HG3  ARG 616           2HG      ARG 616 -11.490  -4.600  14.726
  377    HD2  ARG 616           1HD      ARG 616 -11.579  -4.383  17.183
  378    HD3  ARG 616           2HD      ARG 616 -12.451  -2.844  17.024
  379    HE   ARG 616           HE       ARG 616 -13.908  -4.794  15.579
  380   HH11  ARG 616          1HH1      ARG 616 -13.147  -4.163  18.941
  381   HH12  ARG 616          2HH1      ARG 616 -14.595  -4.948  19.512
  382   HH21  ARG 616          1HH2      ARG 616 -15.732  -5.783  16.374
  383   HH22  ARG 616          2HH2      ARG 616 -16.017  -5.838  18.089
  384    H    GLY 617           H        GLY 617 -11.154  -3.625  12.084
  385    HA2  GLY 617           1HA      GLY 617 -11.626  -1.270  10.443
  386    HA3  GLY 617           2HA      GLY 617 -12.398  -2.847  10.282
  Start of MODEL   12
    1    H    THR 566           1H       THR 566   0.899  -5.910 -15.200
    2    HA   THR 566           HA       THR 566   3.126  -5.978 -16.159
    3    HB   THR 566           HB       THR 566   4.990  -5.205 -14.612
    4    HG1  THR 566           1HG      THR 566   4.392  -3.520 -13.224
    5   HG21  THR 566          1HG2      THR 566   4.380  -3.986 -16.709
    6   HG22  THR 566          2HG2      THR 566   4.988  -2.925 -15.430
    7   HG23  THR 566          3HG2      THR 566   3.248  -2.981 -15.769
    8    H    ASP 567           H        ASP 567   3.243  -6.073 -12.558
    9    HA   ASP 567           HA       ASP 567   3.742  -8.973 -12.633
   10    HB2  ASP 567           1HB      ASP 567   4.953  -7.367 -11.129
   11    HB3  ASP 567           2HB      ASP 567   3.439  -7.105 -10.259
   12    H    GLU 568           H        GLU 568   2.506 -10.425 -11.160
   13    HA   GLU 568           HA       GLU 568  -0.305 -10.284 -11.914
   14    HB2  GLU 568           1HB      GLU 568   1.328 -12.407 -10.468
   15    HB3  GLU 568           2HB      GLU 568  -0.355 -12.621 -10.935
   16    HG2  GLU 568           1HG      GLU 568   1.928 -12.108 -12.892
   17    HG3  GLU 568           2HG      GLU 568   1.258 -13.683 -12.499
   18    H    ALA 569           H        ALA 569   0.933  -8.744  -9.570
   19    HA   ALA 569           HA       ALA 569  -1.574  -8.516  -8.123
   20    HB1  ALA 569           1HB      ALA 569   0.965  -9.195  -6.569
   21    HB2  ALA 569           2HB      ALA 569  -0.569  -8.660  -5.867
   22    HB3  ALA 569           3HB      ALA 569  -0.484 -10.226  -6.711
   23    H    LEU 570           H        LEU 570  -1.946  -6.433  -8.057
   24    HA   LEU 570           HA       LEU 570  -0.067  -4.520  -6.943
   25    HB2  LEU 570           1HB      LEU 570  -1.377  -4.067  -9.662
   26    HB3  LEU 570           2HB      LEU 570  -0.613  -2.808  -8.702
   27    HG   LEU 570           HG       LEU 570   0.873  -5.237  -9.809
   28   HD11  LEU 570          1HD1      LEU 570   1.824  -3.682 -11.396
   29   HD12  LEU 570          2HD1      LEU 570   0.786  -2.374 -10.768
   30   HD13  LEU 570          3HD1      LEU 570   0.058  -3.789 -11.578
   31   HD21  LEU 570          3HD2      LEU 570   2.894  -3.937  -9.283
   32   HD22  LEU 570          1HD2      LEU 570   1.953  -4.209  -7.815
   33   HD23  LEU 570          2HD2      LEU 570   1.894  -2.623  -8.620
   34    H    LYS 571           H        LYS 571  -1.172  -3.110  -5.670
   35    HA   LYS 571           HA       LYS 571  -4.117  -3.501  -5.474
   36    HB2  LYS 571           1HB      LYS 571  -2.174  -2.456  -3.396
   37    HB3  LYS 571           2HB      LYS 571  -3.900  -2.628  -3.169
   38    HG2  LYS 571           1HG      LYS 571  -3.725  -5.081  -3.624
   39    HG3  LYS 571           2HG      LYS 571  -1.957  -4.914  -3.702
   40    HD2  LYS 571           1HD      LYS 571  -1.920  -4.026  -1.411
   41    HD3  LYS 571           2HD      LYS 571  -3.675  -4.179  -1.281
   42    HE2  LYS 571           1HE      LYS 571  -1.762  -6.505  -1.785
   43    HE3  LYS 571           2HE      LYS 571  -2.350  -6.032  -0.186
   44    HZ1  LYS 571           3HZ      LYS 571  -4.079  -6.954  -2.419
   45    HZ2  LYS 571           1HZ      LYS 571  -4.616  -6.488  -0.943
   46    HZ3  LYS 571           2HZ      LYS 571  -3.689  -7.820  -1.095
   47    HA   PRO 572           HA       PRO 572  -4.886   0.785  -6.493
   48    HB2  PRO 572           1HB      PRO 572  -7.299   1.192  -5.296
   49    HB3  PRO 572           2HB      PRO 572  -7.101   0.203  -6.761
   50    HG2  PRO 572           1HG      PRO 572  -7.321  -0.706  -3.873
   51    HG3  PRO 572           2HG      PRO 572  -8.136  -1.393  -5.312
   52    HD2  PRO 572           1HD      PRO 572  -5.819  -2.443  -4.208
   53    HD3  PRO 572           2HD      PRO 572  -6.209  -2.566  -5.953
   54    H    CYS 573           H        CYS 573  -4.165   2.602  -5.616
   55    HA   CYS 573           HA       CYS 573  -3.275   3.057  -3.011
   56    HB2  CYS 573           1HB      CYS 573  -2.530   4.295  -4.885
   57    HB3  CYS 573           2HB      CYS 573  -4.152   4.740  -5.346
   58    HA   PRO 574           HA       PRO 574  -7.137   3.525  -0.768
   59    HB2  PRO 574           1HB      PRO 574  -6.121   4.631   1.583
   60    HB3  PRO 574           2HB      PRO 574  -5.937   2.907   1.111
   61    HG2  PRO 574           1HG      PRO 574  -4.059   5.214   0.640
   62    HG3  PRO 574           2HG      PRO 574  -3.662   3.610   1.373
   63    HD2  PRO 574           1HD      PRO 574  -3.132   4.129  -1.181
   64    HD3  PRO 574           2HD      PRO 574  -3.807   2.534  -0.708
   65    H    ARG 575           H        ARG 575  -5.289   6.158  -1.959
   66    HA   ARG 575           HA       ARG 575  -7.300   8.207  -1.077
   67    HB2  ARG 575           1HB      ARG 575  -4.494   8.457  -2.204
   68    HB3  ARG 575           2HB      ARG 575  -5.575   9.825  -1.889
   69    HG2  ARG 575           1HG      ARG 575  -5.752   9.082   0.508
   70    HG3  ARG 575           2HG      ARG 575  -4.489   7.878   0.193
   71    HD2  ARG 575           1HD      ARG 575  -2.907   9.636  -0.418
   72    HD3  ARG 575           2HD      ARG 575  -4.150  10.876  -0.273
   73    HE   ARG 575           HE       ARG 575  -2.793   9.413   1.917
   74   HH11  ARG 575          1HH1      ARG 575  -5.297  11.752   1.156
   75   HH12  ARG 575          2HH1      ARG 575  -5.402  12.309   2.803
   76   HH21  ARG 575          1HH2      ARG 575  -2.991  10.175   3.998
   77   HH22  ARG 575          2HH2      ARG 575  -4.125  11.442   4.358
   78    H    CYS 576           H        CYS 576  -5.652   7.066  -4.038
   79    HA   CYS 576           HA       CYS 576  -7.794   8.414  -5.627
   80    HB2  CYS 576           1HB      CYS 576  -6.233   9.193  -7.174
   81    HB3  CYS 576           2HB      CYS 576  -5.644   9.635  -5.567
   82    H    GLN 577           H        GLN 577  -6.693   5.408  -4.899
   83    HA   GLN 577           HA       GLN 577  -6.981   3.363  -5.709
   84    HB2  GLN 577           1HB      GLN 577  -9.098   4.574  -7.498
   85    HB3  GLN 577           2HB      GLN 577  -8.931   2.867  -7.128
   86    HG2  GLN 577           1HG      GLN 577  -9.418   4.926  -4.930
   87    HG3  GLN 577           2HG      GLN 577 -10.714   4.217  -5.874
   88   HE21  GLN 577          1HE2      GLN 577  -8.078   3.354  -3.550
   89   HE22  GLN 577          2HE2      GLN 577  -8.893   1.877  -3.050
   90    H    SER 578           H        SER 578  -5.148   5.319  -7.304
   91    HA   SER 578           HA       SER 578  -4.751   4.084  -9.870
   92    HB2  SER 578           1HB      SER 578  -2.731   5.480  -8.063
   93    HB3  SER 578           2HB      SER 578  -2.526   5.130  -9.786
   94    HG   SER 578           HG       SER 578  -4.110   7.049  -8.508
   95    HA   PRO 579           HA       PRO 579  -2.697   0.264  -8.575
   96    HB2  PRO 579           1HB      PRO 579  -0.979  -0.218 -10.655
   97    HB3  PRO 579           2HB      PRO 579  -2.741  -0.482 -10.752
   98    HG2  PRO 579           1HG      PRO 579  -1.155   1.946 -11.641
   99    HG3  PRO 579           2HG      PRO 579  -2.405   1.055 -12.574
  100    HD2  PRO 579           1HD      PRO 579  -2.992   3.340 -11.239
  101    HD3  PRO 579           2HD      PRO 579  -4.153   1.973 -11.246
  102    H    ALA 580           H        ALA 580  -1.487   0.564  -6.888
  103    HA   ALA 580           HA       ALA 580   0.892   2.290  -6.826
  104    HB1  ALA 580           1HB      ALA 580  -0.695   2.274  -4.965
  105    HB2  ALA 580           2HB      ALA 580  -0.434   0.525  -4.736
  106    HB3  ALA 580           3HB      ALA 580   0.883   1.668  -4.422
  107    H    LYS 581           H        LYS 581   3.002   1.621  -6.468
  108    HA   LYS 581           HA       LYS 581   3.925  -0.921  -7.511
  109    HB2  LYS 581           1HB      LYS 581   5.229   1.261  -7.485
  110    HB3  LYS 581           2HB      LYS 581   5.445   1.038  -5.735
  111    HG2  LYS 581           1HG      LYS 581   6.599  -1.109  -6.132
  112    HG3  LYS 581           2HG      LYS 581   6.346  -0.934  -7.880
  113    HD2  LYS 581           1HD      LYS 581   7.702   1.142  -7.876
  114    HD3  LYS 581           2HD      LYS 581   7.951   0.983  -6.123
  115    HE2  LYS 581           1HE      LYS 581   9.075  -1.198  -6.472
  116    HE3  LYS 581           2HE      LYS 581   8.797  -1.075  -8.215
  117    HZ1  LYS 581           3HZ      LYS 581  10.465   0.804  -6.624
  118    HZ2  LYS 581           1HZ      LYS 581  10.207   0.914  -8.235
  119    HZ3  LYS 581           2HZ      LYS 581  11.037  -0.349  -7.625
  120    H    TYR 582           H        TYR 582   3.418  -2.727  -6.514
  121    HA   TYR 582           HA       TYR 582   2.793  -2.777  -3.680
  122    HB2  TYR 582           1HB      TYR 582   1.398  -3.876  -5.455
  123    HB3  TYR 582           2HB      TYR 582   2.750  -4.944  -5.791
  124    HD1  TYR 582           1HD      TYR 582   1.656  -3.981  -2.335
  125    HD2  TYR 582           2HD      TYR 582   1.581  -6.923  -5.477
  126    HE1  TYR 582           1HE      TYR 582   0.873  -5.661  -0.711
  127    HE2  TYR 582           2HE      TYR 582   0.744  -8.638  -3.825
  128    HH   TYR 582           HH       TYR 582   0.173  -7.837  -0.381
  129    H    GLN 583           H        GLN 583   3.996  -3.556  -2.040
  130    HA   GLN 583           HA       GLN 583   6.522  -5.044  -2.624
  131    HB2  GLN 583           1HB      GLN 583   6.200  -3.107  -0.344
  132    HB3  GLN 583           2HB      GLN 583   7.665  -3.747  -1.067
  133    HG2  GLN 583           1HG      GLN 583   7.028  -2.348  -3.179
  134    HG3  GLN 583           2HG      GLN 583   5.792  -1.598  -2.169
  135   HE21  GLN 583          1HE2      GLN 583   7.335   0.228  -3.111
  136   HE22  GLN 583          2HE2      GLN 583   8.570   0.729  -1.962
  137    HA   PRO 584           HA       PRO 584   3.515  -7.430   0.078
  138    HB2  PRO 584           1HB      PRO 584   4.062  -9.954  -0.965
  139    HB3  PRO 584           2HB      PRO 584   2.854  -8.822  -1.614
  140    HG2  PRO 584           1HG      PRO 584   5.696  -9.243  -2.551
  141    HG3  PRO 584           2HG      PRO 584   4.207  -9.125  -3.541
  142    HD2  PRO 584           1HD      PRO 584   5.840  -7.013  -3.239
  143    HD3  PRO 584           2HD      PRO 584   4.064  -6.790  -3.206
  144    H    HIS 585           H        HIS 585   6.937  -7.959  -0.550
  145    HA   HIS 585           HA       HIS 585   7.491  -9.673   1.732
  146    HB2  HIS 585           1HB      HIS 585   9.815  -9.267   1.100
  147    HB3  HIS 585           2HB      HIS 585   8.847  -9.715  -0.297
  148    HD2  HIS 585           2HD      HIS 585  11.685  -7.880  -0.053
  149    HE1  HIS 585           1HE      HIS 585   9.308  -5.098  -2.244
  150    HE2  HIS 585           2HE      HIS 585  11.683  -5.755  -1.611
  151    H    LYS 586           H        LYS 586   7.212  -6.227   1.269
  152    HA   LYS 586           HA       LYS 586   8.233  -5.656   4.036
  153    HB2  LYS 586           1HB      LYS 586   7.852  -3.863   1.603
  154    HB3  LYS 586           2HB      LYS 586   8.333  -3.294   3.207
  155    HG2  LYS 586           1HG      LYS 586  10.346  -4.733   3.144
  156    HG3  LYS 586           2HG      LYS 586   9.902  -5.295   1.522
  157    HD2  LYS 586           1HD      LYS 586  10.065  -3.000   0.650
  158    HD3  LYS 586           2HD      LYS 586  10.468  -2.398   2.275
  159    HE2  LYS 586           1HE      LYS 586  12.487  -3.849   2.303
  160    HE3  LYS 586           2HE      LYS 586  12.086  -4.446   0.690
  161    HZ1  LYS 586           3HZ      LYS 586  13.717  -2.653   0.577
  162    HZ2  LYS 586           1HZ      LYS 586  12.729  -1.620   1.359
  163    HZ3  LYS 586           2HZ      LYS 586  12.336  -2.153  -0.136
  164    H    LYS 587           H        LYS 587   5.355  -6.087   2.395
  165    HA   LYS 587           HA       LYS 587   3.194  -5.494   2.600
  166    HB2  LYS 587           1HB      LYS 587   3.900  -5.197   5.550
  167    HB3  LYS 587           2HB      LYS 587   2.262  -5.173   4.928
  168    HG2  LYS 587           1HG      LYS 587   4.211  -7.507   4.706
  169    HG3  LYS 587           2HG      LYS 587   2.851  -7.376   5.823
  170    HD2  LYS 587           1HD      LYS 587   1.299  -7.225   3.835
  171    HD3  LYS 587           2HD      LYS 587   2.666  -7.564   2.775
  172    HE2  LYS 587           1HE      LYS 587   1.630  -9.394   4.974
  173    HE3  LYS 587           2HE      LYS 587   1.278  -9.541   3.254
  174    HZ1  LYS 587           3HZ      LYS 587   3.101 -10.999   3.743
  175    HZ2  LYS 587           1HZ      LYS 587   3.949  -9.843   4.522
  176    HZ3  LYS 587           2HZ      LYS 587   3.754  -9.745   2.905
  177    H    ARG 588           H        ARG 588   4.680  -3.662   1.502
  178    HA   ARG 588           HA       ARG 588   3.557  -1.028   2.408
  179    HB2  ARG 588           1HB      ARG 588   6.047  -1.414   2.781
  180    HB3  ARG 588           2HB      ARG 588   6.242  -1.440   1.038
  181    HG2  ARG 588           1HG      ARG 588   5.385   0.875   0.909
  182    HG3  ARG 588           2HG      ARG 588   5.113   0.876   2.655
  183    HD2  ARG 588           1HD      ARG 588   7.608   0.388   2.904
  184    HD3  ARG 588           2HD      ARG 588   7.764   0.617   1.164
  185    HE   ARG 588           HE       ARG 588   6.412   2.868   2.376
  186   HH11  ARG 588          1HH1      ARG 588   9.657   1.570   1.988
  187   HH12  ARG 588          2HH1      ARG 588  10.408   3.096   2.367
  188   HH21  ARG 588          1HH2      ARG 588   7.421   4.719   2.955
  189   HH22  ARG 588          2HH2      ARG 588   9.167   4.860   2.865
  190    H    GLY 589           H        GLY 589   2.805   0.367   0.835
  191    HA2  GLY 589           1HA      GLY 589   2.942  -0.478  -2.025
  192    HA3  GLY 589           2HA      GLY 589   1.382  -0.121  -1.288
  193    H    LEU 590           H        LEU 590   3.472   1.170  -3.333
  194    HA   LEU 590           HA       LEU 590   3.254   3.976  -2.307
  195    HB2  LEU 590           1HB      LEU 590   5.402   2.758  -4.074
  196    HB3  LEU 590           2HB      LEU 590   5.223   4.476  -3.726
  197    HG   LEU 590           HG       LEU 590   5.927   2.286  -1.734
  198   HD11  LEU 590          1HD1      LEU 590   7.453   4.741  -2.702
  199   HD12  LEU 590          2HD1      LEU 590   7.748   3.071  -3.235
  200   HD13  LEU 590          3HD1      LEU 590   8.030   3.522  -1.543
  201   HD21  LEU 590          3HD2      LEU 590   5.151   5.198  -1.309
  202   HD22  LEU 590          1HD2      LEU 590   6.235   4.318  -0.176
  203   HD23  LEU 590          2HD2      LEU 590   4.609   3.727  -0.473
  204    H    CYS 591           H        CYS 591   1.903   5.242  -3.367
  205    HA   CYS 591           HA       CYS 591   0.508   4.458  -5.690
  206    HB2  CYS 591           1HB      CYS 591  -0.161   6.147  -3.944
  207    HB3  CYS 591           2HB      CYS 591   0.974   7.283  -4.733
  208    H    SER 592           H        SER 592   0.777   4.728  -7.825
  209    HA   SER 592           HA       SER 592   3.404   5.478  -8.886
  210    HB2  SER 592           1HB      SER 592   2.092   3.507  -9.652
  211    HB3  SER 592           2HB      SER 592   0.886   4.608 -10.350
  212    HG   SER 592           HG       SER 592   2.468   3.884 -11.877
  213    H    ARG 593           H        ARG 593   0.385   7.131  -8.416
  214    HA   ARG 593           HA       ARG 593   0.697   9.090 -10.574
  215    HB2  ARG 593           1HB      ARG 593  -1.493   8.392  -9.954
  216    HB3  ARG 593           2HB      ARG 593  -1.219   8.732  -8.245
  217    HG2  ARG 593           1HG      ARG 593  -1.260  11.090  -8.575
  218    HG3  ARG 593           2HG      ARG 593  -1.161  10.921 -10.338
  219    HD2  ARG 593           1HD      ARG 593  -3.379   9.961 -10.448
  220    HD3  ARG 593           2HD      ARG 593  -3.458   9.774  -8.702
  221    HE   ARG 593           HE       ARG 593  -3.570  12.367 -10.204
  222   HH11  ARG 593          1HH1      ARG 593  -4.359  10.605  -7.267
  223   HH12  ARG 593          2HH1      ARG 593  -5.100  12.006  -6.537
  224   HH21  ARG 593          1HH2      ARG 593  -4.589  14.077  -9.224
  225   HH22  ARG 593          2HH2      ARG 593  -5.264  13.894  -7.634
  226    H    LEU 594           H        LEU 594   2.111  10.680 -10.508
  227    HA   LEU 594           HA       LEU 594   3.688  11.280  -8.211
  228    HB2  LEU 594           1HB      LEU 594   3.380  12.824 -10.817
  229    HB3  LEU 594           2HB      LEU 594   4.674  13.050  -9.645
  230    HG   LEU 594           HG       LEU 594   4.178  10.518 -11.272
  231   HD11  LEU 594          1HD1      LEU 594   5.054  12.418 -12.579
  232   HD12  LEU 594          2HD1      LEU 594   6.262  11.135 -12.407
  233   HD13  LEU 594          3HD1      LEU 594   6.388  12.609 -11.418
  234   HD21  LEU 594          3HD2      LEU 594   6.400   9.798 -10.401
  235   HD22  LEU 594          1HD2      LEU 594   5.185   9.897  -9.128
  236   HD23  LEU 594          2HD2      LEU 594   6.401  11.187  -9.293
  237    H    ALA 595           H        ALA 595   0.726  12.795  -9.304
  238    HA   ALA 595           HA       ALA 595   0.926  15.140  -7.599
  239    HB1  ALA 595           1HB      ALA 595  -1.429  15.444  -8.247
  240    HB2  ALA 595           2HB      ALA 595  -0.431  15.064  -9.662
  241    HB3  ALA 595           3HB      ALA 595  -1.469  13.810  -8.940
  242    H    CYS 596           H        CYS 596   0.421  11.876  -6.850
  243    HA   CYS 596           HA       CYS 596  -1.154  12.400  -4.366
  244    HB2  CYS 596           1HB      CYS 596  -2.250  11.097  -6.092
  245    HB3  CYS 596           2HB      CYS 596  -0.871  10.012  -6.215
  246    H    GLY 597           H        GLY 597   1.209  10.004  -5.589
  247    HA2  GLY 597           1HA      GLY 597   3.099   9.039  -4.679
  248    HA3  GLY 597           2HA      GLY 597   3.426  10.665  -4.068
  249    H    PHE 598           H        PHE 598   1.086   8.069  -3.143
  250    HA   PHE 598           HA       PHE 598   1.491   8.810  -0.322
  251    HB2  PHE 598           1HB      PHE 598  -0.786   8.922  -1.288
  252    HB3  PHE 598           2HB      PHE 598  -0.762   7.191  -1.604
  253    HD1  PHE 598           1HD      PHE 598   0.057   9.530   1.300
  254    HD2  PHE 598           2HD      PHE 598  -1.899   5.917   0.012
  255    HE1  PHE 598           1HE      PHE 598  -0.770   9.160   3.612
  256    HE2  PHE 598           2HE      PHE 598  -2.762   5.589   2.344
  257    HZ   PHE 598           HZ       PHE 598  -2.286   7.193   4.092
  258    H    ASP 599           H        ASP 599   1.713   7.278   1.310
  259    HA   ASP 599           HA       ASP 599   3.048   4.729   0.518
  260    HB2  ASP 599           1HB      ASP 599   4.668   6.485   1.080
  261    HB3  ASP 599           2HB      ASP 599   3.835   6.803   2.602
  262    H    PHE 600           H        PHE 600   1.681   3.163   1.092
  263    HA   PHE 600           HA       PHE 600   0.241   3.403   3.694
  264    HB2  PHE 600           1HB      PHE 600  -1.742   2.571   2.671
  265    HB3  PHE 600           2HB      PHE 600  -1.175   4.002   1.844
  266    HD1  PHE 600           1HD      PHE 600  -0.325   3.900  -0.476
  267    HD2  PHE 600           2HD      PHE 600  -1.835   0.410   1.553
  268    HE1  PHE 600           1HE      PHE 600  -0.637   2.766  -2.651
  269    HE2  PHE 600           2HE      PHE 600  -2.143  -0.732  -0.625
  270    HZ   PHE 600           HZ       PHE 600  -1.564   0.447  -2.736
  271    H    CYS 601           H        CYS 601  -0.550   1.625   4.687
  272    HA   CYS 601           HA       CYS 601   1.061  -0.827   4.605
  273    HB2  CYS 601           1HB      CYS 601   0.405   0.158   6.745
  274    HB3  CYS 601           2HB      CYS 601  -1.302   0.138   6.258
  275    H    VAL 602           H        VAL 602   0.555  -2.493   3.354
  276    HA   VAL 602           HA       VAL 602  -1.801  -2.433   1.647
  277    HB   VAL 602           HB       VAL 602  -0.899  -4.408   0.586
  278   HG11  VAL 602          1HG1      VAL 602   1.278  -2.401   1.260
  279   HG12  VAL 602          2HG1      VAL 602   1.286  -3.505  -0.118
  280   HG13  VAL 602          3HG1      VAL 602   0.059  -2.237  -0.021
  281   HG21  VAL 602          3HG2      VAL 602   0.974  -4.536   2.961
  282   HG22  VAL 602          1HG2      VAL 602  -0.128  -5.781   2.359
  283   HG23  VAL 602          2HG2      VAL 602   1.312  -5.355   1.424
  284    H    LEU 603           H        LEU 603  -1.404  -3.622   4.768
  285    HA   LEU 603           HA       LEU 603  -3.315  -5.876   4.485
  286    HB2  LEU 603           1HB      LEU 603  -1.685  -4.832   6.808
  287    HB3  LEU 603           2HB      LEU 603  -2.774  -6.210   6.901
  288    HG   LEU 603           HG       LEU 603  -0.282  -6.032   5.151
  289   HD11  LEU 603          1HD1      LEU 603   0.203  -6.243   7.554
  290   HD12  LEU 603          2HD1      LEU 603   0.615  -7.733   6.691
  291   HD13  LEU 603          3HD1      LEU 603  -0.871  -7.651   7.661
  292   HD21  LEU 603          3HD2      LEU 603  -2.263  -8.311   5.588
  293   HD22  LEU 603          1HD2      LEU 603  -0.675  -8.502   4.825
  294   HD23  LEU 603          2HD2      LEU 603  -1.896  -7.493   4.050
  295    H    CYS 604           H        CYS 604  -3.195  -2.593   5.861
  296    HA   CYS 604           HA       CYS 604  -6.095  -2.796   6.492
  297    HB2  CYS 604           1HB      CYS 604  -5.796  -1.595   8.501
  298    HB3  CYS 604           2HB      CYS 604  -4.892  -3.106   8.539
  299    H    LEU 605           H        LEU 605  -4.026  -1.181   4.585
  300    HA   LEU 605           HA       LEU 605  -4.203   0.599   3.218
  301    HB2  LEU 605           1HB      LEU 605  -7.148   0.066   3.689
  302    HB3  LEU 605           2HB      LEU 605  -6.555   1.154   2.447
  303    HG   LEU 605           HG       LEU 605  -5.872  -1.811   2.585
  304   HD11  LEU 605          1HD1      LEU 605  -8.247  -1.377   2.059
  305   HD12  LEU 605          2HD1      LEU 605  -7.375  -2.006   0.653
  306   HD13  LEU 605          3HD1      LEU 605  -7.761  -0.272   0.753
  307   HD21  LEU 605          3HD2      LEU 605  -5.274   0.335   0.492
  308   HD22  LEU 605          1HD2      LEU 605  -5.092  -1.414   0.222
  309   HD23  LEU 605          2HD2      LEU 605  -4.092  -0.609   1.429
  310    H    CYS 606           H        CYS 606  -3.703   1.304   5.890
  311    HA   CYS 606           HA       CYS 606  -4.535   4.191   5.851
  312    HB2  CYS 606           1HB      CYS 606  -3.486   2.464   8.141
  313    HB3  CYS 606           2HB      CYS 606  -3.813   4.202   8.243
  314    HG   CYS 606           HG       CYS 606  -5.931   1.818   7.370
  315    H    ALA 607           H        ALA 607  -2.670   5.590   6.808
  316    HA   ALA 607           HA       ALA 607  -0.417   5.550   5.092
  317    HB1  ALA 607           1HB      ALA 607  -0.707   6.774   7.871
  318    HB2  ALA 607           2HB      ALA 607   0.533   7.189   6.670
  319    HB3  ALA 607           3HB      ALA 607  -1.172   7.545   6.336
  320    H    TYR 608           H        TYR 608   1.561   4.630   5.174
  321    HA   TYR 608           HA       TYR 608   1.766   2.102   6.307
  322    HB2  TYR 608           1HB      TYR 608   2.918   2.851   4.299
  323    HB3  TYR 608           2HB      TYR 608   3.915   3.948   5.238
  324    HD1  TYR 608           2HD      TYR 608   2.992   0.263   5.343
  325    HD2  TYR 608           1HD      TYR 608   6.104   3.258   5.439
  326    HE1  TYR 608           2HE      TYR 608   4.719  -1.532   5.322
  327    HE2  TYR 608           1HE      TYR 608   7.824   1.467   5.392
  328    HH   TYR 608           HH       TYR 608   8.155  -0.709   4.835
  329    H    HIS 609           H        HIS 609   2.452   1.228   8.120
  330    HA   HIS 609           HA       HIS 609   3.674   2.955  10.208
  331    HB2  HIS 609           1HB      HIS 609   2.175   1.923  11.818
  332    HB3  HIS 609           2HB      HIS 609   1.287   2.704  10.521
  333    HD1  HIS 609           1HD      HIS 609   2.340  -0.901  11.521
  334    HD2  HIS 609           2HD      HIS 609  -0.554   1.243   9.348
  335    HE1  HIS 609           1HE      HIS 609   0.612  -2.596  10.833
  336    H    GLY 610           H        GLY 610   4.908   0.877   8.374
  337    HA2  GLY 610           1HA      GLY 610   6.651  -0.633   8.486
  338    HA3  GLY 610           2HA      GLY 610   7.061   0.244   9.954
  339    H    SER 611           H        SER 611   7.344  -1.000  11.674
  340    HA   SER 611           HA       SER 611   6.483  -3.821  11.726
  341    HB2  SER 611           1HB      SER 611   7.975  -3.929  13.701
  342    HB3  SER 611           2HB      SER 611   8.774  -3.304  12.250
  343    HG   SER 611           HG       SER 611   9.251  -2.053  14.131
  344    H    GLU 612           H        GLU 612   4.953  -0.991  12.827
  345    HA   GLU 612           HA       GLU 612   3.893  -1.977  15.326
  346    HB2  GLU 612           1HB      GLU 612   4.137   0.445  14.442
  347    HB3  GLU 612           2HB      GLU 612   2.643   0.137  13.543
  348    HG2  GLU 612           1HG      GLU 612   1.454  -0.304  15.638
  349    HG3  GLU 612           2HG      GLU 612   2.969  -0.219  16.543
  350    H    ASP 613           H        ASP 613   1.541  -2.436  15.685
  351    HA   ASP 613           HA       ASP 613   0.614  -4.488  13.820
  352    HB2  ASP 613           1HB      ASP 613  -0.522  -3.462  16.443
  353    HB3  ASP 613           2HB      ASP 613  -1.192  -4.799  15.513
  354    H    CYS 614           H        CYS 614  -1.195  -4.536  12.569
  355    HA   CYS 614           HA       CYS 614  -2.403  -2.113  11.613
  356    HB2  CYS 614           1HB      CYS 614  -3.018  -5.077  11.222
  357    HB3  CYS 614           2HB      CYS 614  -3.833  -3.792  10.345
  358    H    ARG 615           H        ARG 615  -4.673  -1.700  11.481
  359    HA   ARG 615           HA       ARG 615  -6.183  -1.965  13.980
  360    HB2  ARG 615           1HB      ARG 615  -7.950  -0.728  12.790
  361    HB3  ARG 615           2HB      ARG 615  -6.396   0.101  12.731
  362    HG2  ARG 615           1HG      ARG 615  -6.040  -0.520  10.433
  363    HG3  ARG 615           2HG      ARG 615  -7.420  -1.639  10.442
  364    HD2  ARG 615           1HD      ARG 615  -8.956   0.252  10.794
  365    HD3  ARG 615           2HD      ARG 615  -7.586   1.382  10.752
  366    HE   ARG 615           HE       ARG 615  -7.272   0.093   8.378
  367   HH11  ARG 615          1HH1      ARG 615 -10.126   1.655   9.699
  368   HH12  ARG 615          2HH1      ARG 615 -10.738   2.040   8.114
  369   HH21  ARG 615          1HH2      ARG 615  -8.067   0.612   6.461
  370   HH22  ARG 615          2HH2      ARG 615  -9.595   1.458   6.299
  371    H    ARG 616           H        ARG 616  -8.292  -2.872  14.156
  372    HA   ARG 616           HA       ARG 616  -8.661  -5.460  12.755
  373    HB2  ARG 616           1HB      ARG 616 -10.218  -4.138  15.016
  374    HB3  ARG 616           2HB      ARG 616 -10.587  -5.723  14.325
  375    HG2  ARG 616           1HG      ARG 616  -8.286  -6.506  14.935
  376    HG3  ARG 616           2HG      ARG 616  -7.999  -4.966  15.755
  377    HD2  ARG 616           1HD      ARG 616 -10.207  -6.958  16.431
  378    HD3  ARG 616           2HD      ARG 616  -8.687  -6.815  17.299
  379    HE   ARG 616           HE       ARG 616 -11.018  -5.036  17.461
  380   HH11  ARG 616          1HH1      ARG 616  -7.611  -5.268  18.263
  381   HH12  ARG 616          2HH1      ARG 616  -7.724  -4.022  19.477
  382   HH21  ARG 616          1HH2      ARG 616 -11.083  -3.459  19.014
  383   HH22  ARG 616          2HH2      ARG 616  -9.641  -3.031  19.884
  384    H    GLY 617           H        GLY 617 -10.639  -6.065  11.779
  385    HA2  GLY 617           1HA      GLY 617 -11.675  -4.200   9.816
  386    HA3  GLY 617           2HA      GLY 617 -12.217  -5.856  10.086
  Start of MODEL   13
    1    H    THR 566           1H       THR 566  -2.867  -9.717 -14.797
    2    HA   THR 566           HA       THR 566  -4.291 -11.907 -16.147
    3    HB   THR 566           HB       THR 566  -1.690 -10.594 -16.988
    4    HG1  THR 566           1HG      THR 566  -2.975  -9.766 -18.629
    5   HG21  THR 566          1HG2      THR 566  -1.869 -12.966 -17.711
    6   HG22  THR 566          2HG2      THR 566  -2.076 -11.870 -19.082
    7   HG23  THR 566          3HG2      THR 566  -3.498 -12.650 -18.354
    8    H    ASP 567           H        ASP 567  -0.981 -11.124 -14.897
    9    HA   ASP 567           HA       ASP 567  -0.990 -13.640 -13.337
   10    HB2  ASP 567           1HB      ASP 567   1.034 -14.487 -14.323
   11    HB3  ASP 567           2HB      ASP 567  -0.155 -14.251 -15.590
   12    H    GLU 568           H        GLU 568  -0.468 -10.466 -13.288
   13    HA   GLU 568           HA       GLU 568   1.848 -10.448 -11.417
   14    HB2  GLU 568           1HB      GLU 568   1.985  -8.084 -11.864
   15    HB3  GLU 568           2HB      GLU 568   2.072  -8.993 -13.359
   16    HG2  GLU 568           1HG      GLU 568  -0.532  -7.720 -12.405
   17    HG3  GLU 568           2HG      GLU 568   0.687  -6.810 -13.278
   18    H    ALA 569           H        ALA 569   1.650  -8.614  -9.727
   19    HA   ALA 569           HA       ALA 569  -1.047  -8.388  -8.533
   20    HB1  ALA 569           1HB      ALA 569   0.071 -10.181  -7.267
   21    HB2  ALA 569           2HB      ALA 569   1.486  -9.126  -7.005
   22    HB3  ALA 569           3HB      ALA 569  -0.078  -8.697  -6.292
   23    H    LEU 570           H        LEU 570  -1.458  -6.345  -8.540
   24    HA   LEU 570           HA       LEU 570   0.252  -4.388  -7.238
   25    HB2  LEU 570           1HB      LEU 570  -0.843  -3.945 -10.049
   26    HB3  LEU 570           2HB      LEU 570  -0.216  -2.666  -9.016
   27    HG   LEU 570           HG       LEU 570   1.455  -5.033  -9.987
   28   HD11  LEU 570          1HD1      LEU 570   2.495  -3.459 -11.481
   29   HD12  LEU 570          2HD1      LEU 570   1.366  -2.178 -10.957
   30   HD13  LEU 570          3HD1      LEU 570   0.760  -3.615 -11.831
   31   HD21  LEU 570          3HD2      LEU 570   2.307  -3.965  -7.912
   32   HD22  LEU 570          1HD2      LEU 570   2.263  -2.380  -8.724
   33   HD23  LEU 570          2HD2      LEU 570   3.371  -3.657  -9.285
   34    H    LYS 571           H        LYS 571  -0.958  -3.045  -6.034
   35    HA   LYS 571           HA       LYS 571  -3.896  -3.516  -6.003
   36    HB2  LYS 571           1HB      LYS 571  -2.082  -2.494  -3.800
   37    HB3  LYS 571           2HB      LYS 571  -3.813  -2.717  -3.660
   38    HG2  LYS 571           1HG      LYS 571  -3.560  -5.142  -4.176
   39    HG3  LYS 571           2HG      LYS 571  -1.796  -4.941  -4.196
   40    HD2  LYS 571           1HD      LYS 571  -1.832  -4.147  -1.876
   41    HD3  LYS 571           2HD      LYS 571  -3.589  -4.319  -1.798
   42    HE2  LYS 571           1HE      LYS 571  -1.643  -6.609  -2.347
   43    HE3  LYS 571           2HE      LYS 571  -2.269  -6.203  -0.744
   44    HZ1  LYS 571           3HZ      LYS 571  -3.944  -7.051  -3.047
   45    HZ2  LYS 571           1HZ      LYS 571  -4.516  -6.646  -1.567
   46    HZ3  LYS 571           2HZ      LYS 571  -3.574  -7.964  -1.750
   47    HA   PRO 572           HA       PRO 572  -4.715   0.761  -6.979
   48    HB2  PRO 572           1HB      PRO 572  -7.180   1.119  -5.868
   49    HB3  PRO 572           2HB      PRO 572  -6.906   0.158  -7.340
   50    HG2  PRO 572           1HG      PRO 572  -7.228  -0.804  -4.478
   51    HG3  PRO 572           2HG      PRO 572  -7.969  -1.482  -5.961
   52    HD2  PRO 572           1HD      PRO 572  -5.685  -2.512  -4.776
   53    HD3  PRO 572           2HD      PRO 572  -5.991  -2.607  -6.538
   54    H    CYS 573           H        CYS 573  -4.041   2.574  -6.067
   55    HA   CYS 573           HA       CYS 573  -3.278   3.033  -3.417
   56    HB2  CYS 573           1HB      CYS 573  -2.465   4.266  -5.290
   57    HB3  CYS 573           2HB      CYS 573  -4.073   4.736  -5.775
   58    HA   PRO 574           HA       PRO 574  -7.269   3.475  -1.409
   59    HB2  PRO 574           1HB      PRO 574  -6.406   4.555   1.011
   60    HB3  PRO 574           2HB      PRO 574  -6.182   2.841   0.525
   61    HG2  PRO 574           1HG      PRO 574  -4.288   5.160   0.212
   62    HG3  PRO 574           2HG      PRO 574  -3.932   3.544   0.941
   63    HD2  PRO 574           1HD      PRO 574  -3.251   4.107  -1.572
   64    HD3  PRO 574           2HD      PRO 574  -3.936   2.501  -1.156
   65    H    ARG 575           H        ARG 575  -5.376   6.117  -2.481
   66    HA   ARG 575           HA       ARG 575  -7.432   8.157  -1.689
   67    HB2  ARG 575           1HB      ARG 575  -4.564   8.400  -2.645
   68    HB3  ARG 575           2HB      ARG 575  -5.651   9.776  -2.402
   69    HG2  ARG 575           1HG      ARG 575  -6.001   9.014  -0.022
   70    HG3  ARG 575           2HG      ARG 575  -4.704   7.828  -0.257
   71    HD2  ARG 575           1HD      ARG 575  -3.108   9.609  -0.739
   72    HD3  ARG 575           2HD      ARG 575  -4.373  10.832  -0.685
   73    HE   ARG 575           HE       ARG 575  -3.178   9.369   1.601
   74   HH11  ARG 575          1HH1      ARG 575  -5.603  11.723   0.650
   75   HH12  ARG 575          2HH1      ARG 575  -5.833  12.278   2.285
   76   HH21  ARG 575          1HH2      ARG 575  -3.536  10.129   3.661
   77   HH22  ARG 575          2HH2      ARG 575  -4.687  11.402   3.934
   78    H    CYS 576           H        CYS 576  -5.642   7.036  -4.574
   79    HA   CYS 576           HA       CYS 576  -7.701   8.399  -6.257
   80    HB2  CYS 576           1HB      CYS 576  -6.054   9.082  -7.779
   81    HB3  CYS 576           2HB      CYS 576  -5.546   9.605  -6.167
   82    H    GLN 577           H        GLN 577  -6.628   5.372  -5.475
   83    HA   GLN 577           HA       GLN 577  -6.871   3.325  -6.300
   84    HB2  GLN 577           1HB      GLN 577  -8.931   4.514  -8.169
   85    HB3  GLN 577           2HB      GLN 577  -8.757   2.811  -7.793
   86    HG2  GLN 577           1HG      GLN 577  -9.360   4.861  -5.616
   87    HG3  GLN 577           2HG      GLN 577 -10.607   4.134  -6.612
   88   HE21  GLN 577          1HE2      GLN 577  -8.048   3.303  -4.190
   89   HE22  GLN 577          2HE2      GLN 577  -8.866   1.816  -3.719
   90    H    SER 578           H        SER 578  -4.991   5.306  -7.801
   91    HA   SER 578           HA       SER 578  -4.471   4.083 -10.356
   92    HB2  SER 578           1HB      SER 578  -2.536   5.485  -8.462
   93    HB3  SER 578           2HB      SER 578  -2.266   5.148 -10.177
   94    HG   SER 578           HG       SER 578  -3.900   7.048  -8.943
   95    HA   PRO 579           HA       PRO 579  -2.421   0.293  -8.962
   96    HB2  PRO 579           1HB      PRO 579  -0.582  -0.154 -10.945
   97    HB3  PRO 579           2HB      PRO 579  -2.330  -0.450 -11.140
   98    HG2  PRO 579           1HG      PRO 579  -0.741   2.010 -11.933
   99    HG3  PRO 579           2HG      PRO 579  -1.917   1.099 -12.940
  100    HD2  PRO 579           1HD      PRO 579  -2.625   3.368 -11.640
  101    HD3  PRO 579           2HD      PRO 579  -3.756   1.981 -11.714
  102    H    ALA 580           H        ALA 580  -1.346   0.679  -7.188
  103    HA   ALA 580           HA       ALA 580   1.027   2.402  -7.009
  104    HB1  ALA 580           1HB      ALA 580  -0.421   0.649  -4.989
  105    HB2  ALA 580           2HB      ALA 580   0.880   1.787  -4.603
  106    HB3  ALA 580           3HB      ALA 580  -0.663   2.398  -5.236
  107    H    LYS 581           H        LYS 581   3.123   1.721  -6.589
  108    HA   LYS 581           HA       LYS 581   4.019  -0.838  -7.604
  109    HB2  LYS 581           1HB      LYS 581   5.353   1.353  -7.542
  110    HB3  LYS 581           2HB      LYS 581   5.604   1.045  -5.807
  111    HG2  LYS 581           1HG      LYS 581   6.642  -1.150  -6.361
  112    HG3  LYS 581           2HG      LYS 581   6.380  -0.830  -8.087
  113    HD2  LYS 581           1HD      LYS 581   7.856   1.187  -7.916
  114    HD3  LYS 581           2HD      LYS 581   8.085   0.852  -6.196
  115    HE2  LYS 581           1HE      LYS 581  10.018   0.010  -7.281
  116    HE3  LYS 581           2HE      LYS 581   9.058  -1.393  -6.803
  117    HZ1  LYS 581           3HZ      LYS 581   9.134  -0.221  -9.541
  118    HZ2  LYS 581           1HZ      LYS 581   8.272  -1.546  -9.114
  119    HZ3  LYS 581           2HZ      LYS 581   9.901  -1.585  -9.084
  120    H    TYR 582           H        TYR 582   3.581  -2.649  -6.619
  121    HA   TYR 582           HA       TYR 582   2.854  -2.724  -3.805
  122    HB2  TYR 582           1HB      TYR 582   1.542  -3.832  -5.625
  123    HB3  TYR 582           2HB      TYR 582   2.934  -4.854  -5.944
  124    HD1  TYR 582           1HD      TYR 582   1.607  -3.985  -2.543
  125    HD2  TYR 582           2HD      TYR 582   1.938  -6.896  -5.693
  126    HE1  TYR 582           1HE      TYR 582   0.815  -5.733  -0.983
  127    HE2  TYR 582           2HE      TYR 582   1.100  -8.679  -4.120
  128    HH   TYR 582           HH       TYR 582   0.254  -7.956  -0.711
  129    H    GLN 583           H        GLN 583   3.973  -3.550  -2.141
  130    HA   GLN 583           HA       GLN 583   6.588  -4.916  -2.624
  131    HB2  GLN 583           1HB      GLN 583   6.015  -2.979  -0.384
  132    HB3  GLN 583           2HB      GLN 583   7.566  -3.596  -0.932
  133    HG2  GLN 583           1HG      GLN 583   7.142  -2.256  -3.120
  134    HG3  GLN 583           2HG      GLN 583   5.768  -1.532  -2.287
  135   HE21  GLN 583          1HE2      GLN 583   7.486   0.274  -3.136
  136   HE22  GLN 583          2HE2      GLN 583   8.491   0.860  -1.817
  137    HA   PRO 584           HA       PRO 584   3.622  -7.447  -0.011
  138    HB2  PRO 584           1HB      PRO 584   4.323  -9.934  -1.034
  139    HB3  PRO 584           2HB      PRO 584   3.076  -8.866  -1.723
  140    HG2  PRO 584           1HG      PRO 584   5.963  -9.148  -2.581
  141    HG3  PRO 584           2HG      PRO 584   4.497  -9.105  -3.612
  142    HD2  PRO 584           1HD      PRO 584   6.022  -6.915  -3.263
  143    HD3  PRO 584           2HD      PRO 584   4.240  -6.778  -3.307
  144    H    HIS 585           H        HIS 585   7.080  -7.814  -0.623
  145    HA   HIS 585           HA       HIS 585   7.734  -9.421   1.697
  146    HB2  HIS 585           1HB      HIS 585  10.027  -8.853   1.090
  147    HB3  HIS 585           2HB      HIS 585   9.114  -9.370  -0.319
  148    HD2  HIS 585           2HD      HIS 585  11.790  -7.267   0.058
  149    HE1  HIS 585           1HE      HIS 585   9.275  -4.766  -2.307
  150    HE2  HIS 585           2HE      HIS 585  11.664  -5.168  -1.530
  151    H    LYS 586           H        LYS 586   7.029  -6.061   1.288
  152    HA   LYS 586           HA       LYS 586   7.952  -5.429   4.079
  153    HB2  LYS 586           1HB      LYS 586   7.702  -3.616   1.641
  154    HB3  LYS 586           2HB      LYS 586   8.086  -3.068   3.278
  155    HG2  LYS 586           1HG      LYS 586  10.122  -4.482   3.296
  156    HG3  LYS 586           2HG      LYS 586   9.782  -4.991   1.631
  157    HD2  LYS 586           1HD      LYS 586   9.944  -2.659   0.856
  158    HD3  LYS 586           2HD      LYS 586  10.248  -2.114   2.523
  159    HE2  LYS 586           1HE      LYS 586  12.290  -3.536   2.603
  160    HE3  LYS 586           2HE      LYS 586  11.986  -4.070   0.947
  161    HZ1  LYS 586           3HZ      LYS 586  13.590  -2.250   1.000
  162    HZ2  LYS 586           1HZ      LYS 586  12.542  -1.264   1.766
  163    HZ3  LYS 586           2HZ      LYS 586  12.243  -1.741   0.231
  164    H    LYS 587           H        LYS 587   5.240  -6.222   2.502
  165    HA   LYS 587           HA       LYS 587   3.042  -5.670   2.410
  166    HB2  LYS 587           1HB      LYS 587   3.650  -5.500   5.377
  167    HB3  LYS 587           2HB      LYS 587   2.004  -5.285   4.762
  168    HG2  LYS 587           1HG      LYS 587   2.080  -7.437   3.607
  169    HG3  LYS 587           2HG      LYS 587   3.739  -7.719   4.173
  170    HD2  LYS 587           1HD      LYS 587   3.027  -7.898   6.465
  171    HD3  LYS 587           2HD      LYS 587   1.442  -7.215   6.093
  172    HE2  LYS 587           1HE      LYS 587   1.175  -9.590   6.405
  173    HE3  LYS 587           2HE      LYS 587   0.866  -9.183   4.717
  174    HZ1  LYS 587           3HZ      LYS 587   2.278 -11.164   4.940
  175    HZ2  LYS 587           1HZ      LYS 587   3.410 -10.334   5.766
  176    HZ3  LYS 587           2HZ      LYS 587   3.122  -9.987   4.192
  177    H    ARG 588           H        ARG 588   4.432  -3.718   1.384
  178    HA   ARG 588           HA       ARG 588   3.119  -1.163   2.260
  179    HB2  ARG 588           1HB      ARG 588   5.568  -1.509   2.838
  180    HB3  ARG 588           2HB      ARG 588   5.930  -1.458   1.128
  181    HG2  ARG 588           1HG      ARG 588   5.193   0.847   0.987
  182    HG3  ARG 588           2HG      ARG 588   4.547   0.790   2.641
  183    HD2  ARG 588           1HD      ARG 588   6.860   0.256   3.460
  184    HD3  ARG 588           2HD      ARG 588   7.471   0.425   1.843
  185    HE   ARG 588           HE       ARG 588   5.979   2.785   2.664
  186   HH11  ARG 588          1HH1      ARG 588   9.089   1.259   3.262
  187   HH12  ARG 588          2HH1      ARG 588   9.789   2.726   3.891
  188   HH21  ARG 588          1HH2      ARG 588   6.893   4.567   3.550
  189   HH22  ARG 588          2HH2      ARG 588   8.582   4.574   4.017
  190    H    GLY 589           H        GLY 589   2.513   0.302   0.665
  191    HA2  GLY 589           1HA      GLY 589   2.889  -0.474  -2.189
  192    HA3  GLY 589           2HA      GLY 589   1.260  -0.178  -1.591
  193    H    LEU 590           H        LEU 590   3.441   1.210  -3.436
  194    HA   LEU 590           HA       LEU 590   3.154   3.986  -2.347
  195    HB2  LEU 590           1HB      LEU 590   5.407   2.798  -4.006
  196    HB3  LEU 590           2HB      LEU 590   5.215   4.510  -3.639
  197    HG   LEU 590           HG       LEU 590   5.798   2.282  -1.654
  198   HD11  LEU 590          1HD1      LEU 590   7.359   4.774  -2.458
  199   HD12  LEU 590          2HD1      LEU 590   7.698   3.125  -3.025
  200   HD13  LEU 590          3HD1      LEU 590   7.877   3.523  -1.306
  201   HD21  LEU 590          3HD2      LEU 590   4.393   3.692  -0.439
  202   HD22  LEU 590          1HD2      LEU 590   4.994   5.182  -1.198
  203   HD23  LEU 590          2HD2      LEU 590   5.998   4.266  -0.024
  204    H    CYS 591           H        CYS 591   1.925   5.327  -3.470
  205    HA   CYS 591           HA       CYS 591   0.630   4.568  -5.860
  206    HB2  CYS 591           1HB      CYS 591  -0.133   6.242  -4.149
  207    HB3  CYS 591           2HB      CYS 591   1.041   7.389  -4.862
  208    H    SER 592           H        SER 592   0.921   4.948  -7.976
  209    HA   SER 592           HA       SER 592   3.597   5.649  -8.966
  210    HB2  SER 592           1HB      SER 592   2.267   3.729  -9.815
  211    HB3  SER 592           2HB      SER 592   1.084   4.867 -10.489
  212    HG   SER 592           HG       SER 592   2.674   4.170 -12.022
  213    H    ARG 593           H        ARG 593   0.578   7.336  -8.521
  214    HA   ARG 593           HA       ARG 593   0.986   9.350 -10.611
  215    HB2  ARG 593           1HB      ARG 593  -1.236   8.622 -10.032
  216    HB3  ARG 593           2HB      ARG 593  -0.999   9.016  -8.332
  217    HG2  ARG 593           1HG      ARG 593  -0.914  11.404  -8.824
  218    HG3  ARG 593           2HG      ARG 593  -0.957  11.070 -10.564
  219    HD2  ARG 593           1HD      ARG 593  -3.195   9.992 -10.267
  220    HD3  ARG 593           2HD      ARG 593  -3.117  10.353  -8.535
  221    HE   ARG 593           HE       ARG 593  -2.839  12.687 -10.306
  222   HH11  ARG 593          1HH1      ARG 593  -5.154  10.709  -8.610
  223   HH12  ARG 593          2HH1      ARG 593  -6.396  11.937  -8.654
  224   HH21  ARG 593          1HH2      ARG 593  -4.443  14.244 -10.303
  225   HH22  ARG 593          2HH2      ARG 593  -5.987  13.891  -9.588
  226    H    LEU 594           H        LEU 594   2.399  10.946 -10.442
  227    HA   LEU 594           HA       LEU 594   3.892  11.481  -8.075
  228    HB2  LEU 594           1HB      LEU 594   3.631  13.131 -10.623
  229    HB3  LEU 594           2HB      LEU 594   4.886  13.328  -9.404
  230    HG   LEU 594           HG       LEU 594   4.485  10.858 -11.149
  231   HD11  LEU 594          1HD1      LEU 594   5.355  12.828 -12.354
  232   HD12  LEU 594          2HD1      LEU 594   6.585  11.564 -12.202
  233   HD13  LEU 594          3HD1      LEU 594   6.654  12.997 -11.152
  234   HD21  LEU 594          3HD2      LEU 594   5.449  10.171  -9.005
  235   HD22  LEU 594          1HD2      LEU 594   6.644  11.490  -9.087
  236   HD23  LEU 594          2HD2      LEU 594   6.698  10.146 -10.250
  237    H    ALA 595           H        ALA 595   0.979  13.055  -9.264
  238    HA   ALA 595           HA       ALA 595   1.076  15.307  -7.438
  239    HB1  ALA 595           1HB      ALA 595  -1.244  14.046  -8.962
  240    HB2  ALA 595           2HB      ALA 595  -1.234  15.652  -8.206
  241    HB3  ALA 595           3HB      ALA 595  -0.162  15.319  -9.579
  242    H    CYS 596           H        CYS 596   0.361  11.992  -6.951
  243    HA   CYS 596           HA       CYS 596  -1.347  12.426  -4.548
  244    HB2  CYS 596           1HB      CYS 596  -2.229  11.109  -6.398
  245    HB3  CYS 596           2HB      CYS 596  -0.805  10.070  -6.377
  246    H    GLY 597           H        GLY 597   1.224  10.172  -5.608
  247    HA2  GLY 597           1HA      GLY 597   3.080   9.278  -4.571
  248    HA3  GLY 597           2HA      GLY 597   3.265  10.901  -3.898
  249    H    PHE 598           H        PHE 598   1.065   8.104  -3.228
  250    HA   PHE 598           HA       PHE 598   1.226   8.776  -0.357
  251    HB2  PHE 598           1HB      PHE 598  -0.982   8.863  -1.501
  252    HB3  PHE 598           2HB      PHE 598  -0.897   7.134  -1.816
  253    HD1  PHE 598           1HD      PHE 598  -0.339   9.509   1.117
  254    HD2  PHE 598           2HD      PHE 598  -2.080   5.820  -0.259
  255    HE1  PHE 598           1HE      PHE 598  -1.285   9.119   3.379
  256    HE2  PHE 598           2HE      PHE 598  -3.068   5.468   2.020
  257    HZ   PHE 598           HZ       PHE 598  -2.751   7.103   3.783
  258    H    ASP 599           H        ASP 599   1.260   7.129   1.224
  259    HA   ASP 599           HA       ASP 599   2.763   4.667   0.465
  260    HB2  ASP 599           1HB      ASP 599   4.331   6.431   1.109
  261    HB3  ASP 599           2HB      ASP 599   3.406   6.768   2.572
  262    H    PHE 600           H        PHE 600   1.414   3.061   0.971
  263    HA   PHE 600           HA       PHE 600  -0.133   3.241   3.515
  264    HB2  PHE 600           1HB      PHE 600  -2.060   2.380   2.389
  265    HB3  PHE 600           2HB      PHE 600  -1.493   3.848   1.630
  266    HD1  PHE 600           2HD      PHE 600  -0.574   3.842  -0.659
  267    HD2  PHE 600           1HD      PHE 600  -1.996   0.231   1.219
  268    HE1  PHE 600           2HE      PHE 600  -0.758   2.758  -2.874
  269    HE2  PHE 600           1HE      PHE 600  -2.178  -0.858  -1.001
  270    HZ   PHE 600           HZ       PHE 600  -1.582   0.405  -3.055
  271    H    CYS 601           H        CYS 601  -0.946   1.447   4.440
  272    HA   CYS 601           HA       CYS 601   0.693  -0.984   4.444
  273    HB2  CYS 601           1HB      CYS 601  -0.111   0.039   6.530
  274    HB3  CYS 601           2HB      CYS 601  -1.772  -0.021   5.934
  275    H    VAL 602           H        VAL 602   0.245  -2.715   3.218
  276    HA   VAL 602           HA       VAL 602  -2.036  -2.646   1.401
  277    HB   VAL 602           HB       VAL 602  -1.087  -4.575   0.320
  278   HG11  VAL 602          1HG1      VAL 602  -0.171  -2.378  -0.223
  279   HG12  VAL 602          2HG1      VAL 602   1.025  -2.530   1.077
  280   HG13  VAL 602          3HG1      VAL 602   1.092  -3.606  -0.323
  281   HG21  VAL 602          3HG2      VAL 602   1.167  -5.456   1.196
  282   HG22  VAL 602          1HG2      VAL 602   0.699  -4.753   2.754
  283   HG23  VAL 602          2HG2      VAL 602  -0.302  -6.006   2.023
  284    H    LEU 603           H        LEU 603  -1.858  -3.800   4.532
  285    HA   LEU 603           HA       LEU 603  -3.825  -5.996   4.120
  286    HB2  LEU 603           1HB      LEU 603  -2.423  -4.956   6.588
  287    HB3  LEU 603           2HB      LEU 603  -3.622  -6.243   6.591
  288    HG   LEU 603           HG       LEU 603  -0.866  -6.332   5.301
  289   HD11  LEU 603          1HD1      LEU 603  -2.169  -7.842   7.614
  290   HD12  LEU 603          2HD1      LEU 603  -0.921  -6.587   7.749
  291   HD13  LEU 603          3HD1      LEU 603  -0.540  -8.143   6.991
  292   HD21  LEU 603          3HD2      LEU 603  -2.356  -7.625   3.860
  293   HD22  LEU 603          1HD2      LEU 603  -3.090  -8.421   5.274
  294   HD23  LEU 603          2HD2      LEU 603  -1.398  -8.738   4.836
  295    H    CYS 604           H        CYS 604  -3.699  -2.701   5.521
  296    HA   CYS 604           HA       CYS 604  -6.645  -2.834   5.955
  297    HB2  CYS 604           1HB      CYS 604  -6.411  -1.455   7.882
  298    HB3  CYS 604           2HB      CYS 604  -5.538  -2.976   8.067
  299    H    LEU 605           H        LEU 605  -4.423  -1.308   4.065
  300    HA   LEU 605           HA       LEU 605  -4.471   0.446   2.650
  301    HB2  LEU 605           1HB      LEU 605  -7.451  -0.068   2.879
  302    HB3  LEU 605           2HB      LEU 605  -6.777   1.054   1.719
  303    HG   LEU 605           HG       LEU 605  -6.075  -1.906   1.815
  304   HD11  LEU 605          1HD1      LEU 605  -7.870  -0.335  -0.085
  305   HD12  LEU 605          2HD1      LEU 605  -8.421  -1.486   1.154
  306   HD13  LEU 605          3HD1      LEU 605  -7.454  -2.059  -0.214
  307   HD21  LEU 605          3HD2      LEU 605  -4.248  -0.649   0.808
  308   HD22  LEU 605          1HD2      LEU 605  -5.381   0.318  -0.165
  309   HD23  LEU 605          2HD2      LEU 605  -5.161  -1.418  -0.488
  310    H    CYS 606           H        CYS 606  -4.185   1.125   5.368
  311    HA   CYS 606           HA       CYS 606  -5.020   4.008   5.314
  312    HB2  CYS 606           1HB      CYS 606  -4.178   2.245   7.656
  313    HB3  CYS 606           2HB      CYS 606  -4.533   3.975   7.755
  314    HG   CYS 606           HG       CYS 606  -6.553   1.556   6.706
  315    H    ALA 607           H        ALA 607  -3.254   5.397   6.438
  316    HA   ALA 607           HA       ALA 607  -0.887   5.393   4.883
  317    HB1  ALA 607           1HB      ALA 607  -1.756   7.375   6.070
  318    HB2  ALA 607           2HB      ALA 607  -1.383   6.613   7.635
  319    HB3  ALA 607           3HB      ALA 607  -0.072   7.047   6.518
  320    H    TYR 608           H        TYR 608   1.088   4.480   5.086
  321    HA   TYR 608           HA       TYR 608   1.266   1.969   6.230
  322    HB2  TYR 608           1HB      TYR 608   2.585   2.789   4.339
  323    HB3  TYR 608           2HB      TYR 608   3.503   3.841   5.403
  324    HD1  TYR 608           2HD      TYR 608   2.623   0.227   4.834
  325    HD2  TYR 608           1HD      TYR 608   5.523   3.048   6.350
  326    HE1  TYR 608           2HE      TYR 608   4.320  -1.578   4.948
  327    HE2  TYR 608           1HE      TYR 608   7.225   1.226   6.455
  328    HH   TYR 608           HH       TYR 608   6.576  -1.920   4.944
  329    H    HIS 609           H        HIS 609   1.817   1.084   8.097
  330    HA   HIS 609           HA       HIS 609   2.885   2.810  10.266
  331    HB2  HIS 609           1HB      HIS 609   1.388   1.661  11.808
  332    HB3  HIS 609           2HB      HIS 609   0.533   2.503  10.529
  333    HD1  HIS 609           1HD      HIS 609   1.563  -1.165  11.354
  334    HD2  HIS 609           2HD      HIS 609  -1.291   1.128   9.276
  335    HE1  HIS 609           1HE      HIS 609  -0.173  -2.798  10.556
  336    H    GLY 610           H        GLY 610   4.279   0.831   8.445
  337    HA2  GLY 610           1HA      GLY 610   6.114  -0.566   8.609
  338    HA3  GLY 610           2HA      GLY 610   6.426   0.368  10.065
  339    H    SER 611           H        SER 611   6.762  -0.798  11.813
  340    HA   SER 611           HA       SER 611   6.277  -3.693  11.877
  341    HB2  SER 611           1HB      SER 611   7.489  -1.864  13.980
  342    HB3  SER 611           2HB      SER 611   7.582  -3.633  13.931
  343    HG   SER 611           HG       SER 611   9.469  -2.640  13.073
  344    H    GLU 612           H        GLU 612   4.232  -1.130  12.814
  345    HA   GLU 612           HA       GLU 612   3.076  -2.404  15.192
  346    HB2  GLU 612           1HB      GLU 612   1.988  -0.220  13.371
  347    HB3  GLU 612           2HB      GLU 612   1.234  -0.785  14.857
  348    HG2  GLU 612           1HG      GLU 612   3.226  -0.083  16.157
  349    HG3  GLU 612           2HG      GLU 612   3.978   0.521  14.676
  350    H    ASP 613           H        ASP 613   1.002  -3.398  15.327
  351    HA   ASP 613           HA       ASP 613   0.118  -4.952  12.985
  352    HB2  ASP 613           1HB      ASP 613  -0.967  -4.716  15.817
  353    HB3  ASP 613           2HB      ASP 613  -1.633  -5.766  14.570
  354    H    CYS 614           H        CYS 614  -1.949  -4.761  11.983
  355    HA   CYS 614           HA       CYS 614  -2.916  -2.140  11.531
  356    HB2  CYS 614           1HB      CYS 614  -4.182  -4.849  10.964
  357    HB3  CYS 614           2HB      CYS 614  -4.711  -3.310  10.280
  358    H    ARG 615           H        ARG 615  -4.951  -1.222  11.916
  359    HA   ARG 615           HA       ARG 615  -6.098  -1.860  14.613
  360    HB2  ARG 615           1HB      ARG 615  -5.461   0.875  13.429
  361    HB3  ARG 615           2HB      ARG 615  -6.192   0.565  15.010
  362    HG2  ARG 615           1HG      ARG 615  -4.131  -0.690  15.690
  363    HG3  ARG 615           2HG      ARG 615  -3.389  -0.275  14.134
  364    HD2  ARG 615           1HD      ARG 615  -3.573   2.119  14.641
  365    HD3  ARG 615           2HD      ARG 615  -4.356   1.769  16.180
  366    HE   ARG 615           HE       ARG 615  -1.495   1.530  15.521
  367   HH11  ARG 615          2HH1      ARG 615  -3.904   0.572  17.891
  368   HH12  ARG 615          1HH1      ARG 615  -2.694   0.287  19.113
  369   HH21  ARG 615          1HH2      ARG 615  -0.047   1.187  17.087
  370   HH22  ARG 615          2HH2      ARG 615  -0.553   0.622  18.670
  371    H    ARG 616           H        ARG 616  -8.199  -1.208  15.076
  372    HA   ARG 616           HA       ARG 616 -10.103  -1.637  12.919
  373    HB2  ARG 616           1HB      ARG 616 -10.146  -2.401  15.411
  374    HB3  ARG 616           2HB      ARG 616 -10.785  -0.806  15.765
  375    HG2  ARG 616           1HG      ARG 616 -12.029  -2.875  13.888
  376    HG3  ARG 616           2HG      ARG 616 -12.476  -2.607  15.573
  377    HD2  ARG 616           1HD      ARG 616 -13.108  -0.230  14.949
  378    HD3  ARG 616           2HD      ARG 616 -12.889  -0.705  13.250
  379    HE   ARG 616           HE       ARG 616 -14.612  -2.582  14.533
  380   HH11  ARG 616          2HH1      ARG 616 -14.725   0.735  13.338
  381   HH12  ARG 616          1HH1      ARG 616 -16.460   0.666  13.125
  382   HH21  ARG 616          1HH2      ARG 616 -16.805  -2.575  14.213
  383   HH22  ARG 616          2HH2      ARG 616 -17.594  -1.153  13.597
  384    H    GLY 617           H        GLY 617 -11.086  -0.168  11.698
  385    HA2  GLY 617           1HA      GLY 617 -10.530   2.636  11.708
  386    HA3  GLY 617           2HA      GLY 617 -11.784   1.830  10.768
  Start of MODEL   14
    1    H    THR 566           1H       THR 566   2.172 -12.418 -16.414
    2    HA   THR 566           HA       THR 566  -0.379 -13.532 -15.462
    3    HB   THR 566           HB       THR 566   2.028 -15.044 -16.540
    4    HG1  THR 566           1HG      THR 566   0.703 -15.374 -18.320
    5   HG21  THR 566          1HG2      THR 566   0.400 -16.934 -16.679
    6   HG22  THR 566          2HG2      THR 566  -0.809 -15.941 -15.837
    7   HG23  THR 566          3HG2      THR 566   0.690 -16.438 -15.011
    8    H    ASP 567           H        ASP 567  -0.288 -14.609 -13.455
    9    HA   ASP 567           HA       ASP 567   0.272 -14.829 -11.289
   10    HB2  ASP 567           1HB      ASP 567   1.524 -16.618 -12.365
   11    HB3  ASP 567           2HB      ASP 567   2.961 -15.597 -12.451
   12    H    GLU 568           H        GLU 568  -0.029 -12.415 -11.440
   13    HA   GLU 568           HA       GLU 568   2.213 -10.964 -10.111
   14    HB2  GLU 568           1HB      GLU 568   1.937  -9.071 -11.570
   15    HB3  GLU 568           2HB      GLU 568   2.253 -10.509 -12.536
   16    HG2  GLU 568           1HG      GLU 568  -0.305 -10.677 -12.870
   17    HG3  GLU 568           2HG      GLU 568  -0.405  -9.066 -12.158
   18    H    ALA 569           H        ALA 569   1.515  -8.830  -9.176
   19    HA   ALA 569           HA       ALA 569  -1.268  -8.498  -8.428
   20    HB1  ALA 569           1HB      ALA 569  -0.561 -10.119  -6.707
   21    HB2  ALA 569           2HB      ALA 569   0.882  -9.132  -6.350
   22    HB3  ALA 569           3HB      ALA 569  -0.731  -8.497  -5.986
   23    H    LEU 570           H        LEU 570  -1.643  -6.449  -8.246
   24    HA   LEU 570           HA       LEU 570   0.187  -4.505  -7.059
   25    HB2  LEU 570           1HB      LEU 570  -1.034  -4.099  -9.823
   26    HB3  LEU 570           2HB      LEU 570  -0.321  -2.813  -8.856
   27    HG   LEU 570           HG       LEU 570   1.223  -5.244  -9.873
   28   HD11  LEU 570          1HD1      LEU 570   0.472  -3.803 -11.690
   29   HD12  LEU 570          2HD1      LEU 570   2.228  -3.701 -11.442
   30   HD13  LEU 570          3HD1      LEU 570   1.172  -2.386 -10.859
   31   HD21  LEU 570          3HD2      LEU 570   3.217  -3.928  -9.289
   32   HD22  LEU 570          1HD2      LEU 570   2.226  -4.198  -7.856
   33   HD23  LEU 570          2HD2      LEU 570   2.188  -2.616  -8.672
   34    H    LYS 571           H        LYS 571  -0.961  -3.265  -5.671
   35    HA   LYS 571           HA       LYS 571  -3.904  -3.578  -5.647
   36    HB2  LYS 571           1HB      LYS 571  -2.161  -2.370  -3.478
   37    HB3  LYS 571           2HB      LYS 571  -3.866  -2.754  -3.379
   38    HG2  LYS 571           1HG      LYS 571  -3.136  -5.208  -3.966
   39    HG3  LYS 571           2HG      LYS 571  -1.522  -4.666  -3.467
   40    HD2  LYS 571           1HD      LYS 571  -2.541  -3.931  -1.260
   41    HD3  LYS 571           2HD      LYS 571  -4.089  -4.599  -1.816
   42    HE2  LYS 571           1HE      LYS 571  -2.758  -6.805  -2.214
   43    HE3  LYS 571           2HE      LYS 571  -1.500  -6.081  -1.220
   44    HZ1  LYS 571           3HZ      LYS 571  -3.196  -5.849   0.574
   45    HZ2  LYS 571           1HZ      LYS 571  -2.988  -7.414   0.134
   46    HZ3  LYS 571           2HZ      LYS 571  -4.304  -6.594  -0.370
   47    HA   PRO 572           HA       PRO 572  -4.622   0.676  -6.844
   48    HB2  PRO 572           1HB      PRO 572  -7.105   1.117  -5.795
   49    HB3  PRO 572           2HB      PRO 572  -6.818   0.118  -7.237
   50    HG2  PRO 572           1HG      PRO 572  -7.234  -0.762  -4.363
   51    HG3  PRO 572           2HG      PRO 572  -7.939  -1.473  -5.848
   52    HD2  PRO 572           1HD      PRO 572  -5.715  -2.497  -4.551
   53    HD3  PRO 572           2HD      PRO 572  -5.965  -2.656  -6.317
   54    H    CYS 573           H        CYS 573  -4.028   2.552  -5.988
   55    HA   CYS 573           HA       CYS 573  -3.248   3.071  -3.358
   56    HB2  CYS 573           1HB      CYS 573  -2.447   4.276  -5.240
   57    HB3  CYS 573           2HB      CYS 573  -4.057   4.708  -5.752
   58    HA   PRO 574           HA       PRO 574  -7.212   3.551  -1.300
   59    HB2  PRO 574           1HB      PRO 574  -6.311   4.719   1.067
   60    HB3  PRO 574           2HB      PRO 574  -6.091   2.990   0.634
   61    HG2  PRO 574           1HG      PRO 574  -4.211   5.302   0.213
   62    HG3  PRO 574           2HG      PRO 574  -3.839   3.712   0.990
   63    HD2  PRO 574           1HD      PRO 574  -3.199   4.192  -1.549
   64    HD3  PRO 574           2HD      PRO 574  -3.874   2.598  -1.071
   65    H    ARG 575           H        ARG 575  -5.327   6.180  -2.448
   66    HA   ARG 575           HA       ARG 575  -7.383   8.230  -1.683
   67    HB2  ARG 575           1HB      ARG 575  -4.531   8.465  -2.692
   68    HB3  ARG 575           2HB      ARG 575  -5.620   9.840  -2.441
   69    HG2  ARG 575           1HG      ARG 575  -5.912   9.114  -0.045
   70    HG3  ARG 575           2HG      ARG 575  -4.626   7.918  -0.292
   71    HD2  ARG 575           1HD      ARG 575  -3.032   9.685  -0.841
   72    HD3  ARG 575           2HD      ARG 575  -4.290  10.915  -0.765
   73    HE   ARG 575           HE       ARG 575  -3.029   9.476   1.499
   74   HH11  ARG 575          1HH1      ARG 575  -5.504  11.799   0.601
   75   HH12  ARG 575          2HH1      ARG 575  -5.692  12.365   2.238
   76   HH21  ARG 575          2HH2      ARG 575  -3.335  10.249   3.563
   77   HH22  ARG 575          1HH2      ARG 575  -4.490  11.512   3.859
   78    H    CYS 576           H        CYS 576  -5.628   7.038  -4.555
   79    HA   CYS 576           HA       CYS 576  -7.700   8.363  -6.251
   80    HB2  CYS 576           1HB      CYS 576  -6.073   9.103  -7.754
   81    HB3  CYS 576           2HB      CYS 576  -5.557   9.587  -6.133
   82    H    GLN 577           H        GLN 577  -6.609   5.362  -5.431
   83    HA   GLN 577           HA       GLN 577  -6.856   3.305  -6.230
   84    HB2  GLN 577           1HB      GLN 577  -8.924   4.484  -8.096
   85    HB3  GLN 577           2HB      GLN 577  -8.752   2.781  -7.712
   86    HG2  GLN 577           1HG      GLN 577  -9.323   4.842  -5.538
   87    HG3  GLN 577           2HG      GLN 577 -10.585   4.124  -6.520
   88   HE21  GLN 577          1HE2      GLN 577  -8.017   3.280  -4.115
   89   HE22  GLN 577          2HE2      GLN 577  -8.835   1.795  -3.642
   90    H    SER 578           H        SER 578  -4.980   5.257  -7.767
   91    HA   SER 578           HA       SER 578  -4.472   3.994 -10.303
   92    HB2  SER 578           1HB      SER 578  -2.533   5.424  -8.437
   93    HB3  SER 578           2HB      SER 578  -2.262   5.054 -10.145
   94    HG   SER 578           HG       SER 578  -3.902   6.979  -8.948
   95    HA   PRO 579           HA       PRO 579  -2.464   0.213  -8.839
   96    HB2  PRO 579           1HB      PRO 579  -0.657  -0.311 -10.836
   97    HB3  PRO 579           2HB      PRO 579  -2.414  -0.589 -10.999
   98    HG2  PRO 579           1HG      PRO 579  -0.801   1.825 -11.882
   99    HG3  PRO 579           2HG      PRO 579  -2.010   0.908 -12.843
  100    HD2  PRO 579           1HD      PRO 579  -2.655   3.223 -11.585
  101    HD3  PRO 579           2HD      PRO 579  -3.813   1.854 -11.610
  102    H    ALA 580           H        ALA 580  -1.321   0.554  -7.113
  103    HA   ALA 580           HA       ALA 580   1.037   2.302  -6.988
  104    HB1  ALA 580           1HB      ALA 580  -0.325   0.529  -4.928
  105    HB2  ALA 580           2HB      ALA 580   0.958   1.699  -4.583
  106    HB3  ALA 580           3HB      ALA 580  -0.614   2.271  -5.178
  107    H    LYS 581           H        LYS 581   3.143   1.651  -6.566
  108    HA   LYS 581           HA       LYS 581   4.107  -0.902  -7.550
  109    HB2  LYS 581           1HB      LYS 581   5.393   1.283  -7.534
  110    HB3  LYS 581           2HB      LYS 581   5.571   1.100  -5.775
  111    HG2  LYS 581           1HG      LYS 581   6.706  -1.079  -6.109
  112    HG3  LYS 581           2HG      LYS 581   6.542  -0.909  -7.861
  113    HD2  LYS 581           1HD      LYS 581   8.102   0.989  -6.045
  114    HD3  LYS 581           2HD      LYS 581   8.804  -0.328  -6.995
  115    HE2  LYS 581           1HE      LYS 581   7.945   0.733  -9.087
  116    HE3  LYS 581           2HE      LYS 581   7.319   2.084  -8.133
  117    HZ1  LYS 581           3HZ      LYS 581  10.184   1.314  -8.317
  118    HZ2  LYS 581           1HZ      LYS 581   9.607   2.560  -7.429
  119    HZ3  LYS 581           2HZ      LYS 581   9.502   2.596  -9.057
  120    H    TYR 582           H        TYR 582   3.548  -2.680  -6.541
  121    HA   TYR 582           HA       TYR 582   2.864  -2.707  -3.721
  122    HB2  TYR 582           1HB      TYR 582   1.517  -3.826  -5.510
  123    HB3  TYR 582           2HB      TYR 582   2.884  -4.886  -5.817
  124    HD1  TYR 582           1HD      TYR 582   1.659  -3.913  -2.406
  125    HD2  TYR 582           2HD      TYR 582   1.789  -6.893  -5.509
  126    HE1  TYR 582           1HE      TYR 582   0.816  -5.605  -0.805
  127    HE2  TYR 582           2HE      TYR 582   0.896  -8.604  -3.895
  128    HH   TYR 582           HH       TYR 582   0.126  -8.983  -1.758
  129    H    GLN 583           H        GLN 583   4.018  -3.488  -2.053
  130    HA   GLN 583           HA       GLN 583   6.590  -4.921  -2.569
  131    HB2  GLN 583           1HB      GLN 583   6.131  -2.960  -0.327
  132    HB3  GLN 583           2HB      GLN 583   7.646  -3.585  -0.954
  133    HG2  GLN 583           1HG      GLN 583   7.083  -2.243  -3.128
  134    HG3  GLN 583           2HG      GLN 583   5.799  -1.486  -2.184
  135   HE21  GLN 583          1HE2      GLN 583   7.411   0.312  -3.131
  136   HE22  GLN 583          2HE2      GLN 583   8.575   0.854  -1.929
  137    HA   PRO 584           HA       PRO 584   3.616  -7.343   0.132
  138    HB2  PRO 584           1HB      PRO 584   4.168  -9.853  -0.916
  139    HB3  PRO 584           2HB      PRO 584   2.956  -8.722  -1.568
  140    HG2  PRO 584           1HG      PRO 584   5.807  -9.131  -2.499
  141    HG3  PRO 584           2HG      PRO 584   4.320  -9.032  -3.496
  142    HD2  PRO 584           1HD      PRO 584   5.935  -6.906  -3.192
  143    HD3  PRO 584           2HD      PRO 584   4.158  -6.699  -3.181
  144    H    HIS 585           H        HIS 585   7.042  -7.810  -0.557
  145    HA   HIS 585           HA       HIS 585   7.686  -9.489   1.716
  146    HB2  HIS 585           1HB      HIS 585   9.984  -8.981   1.084
  147    HB3  HIS 585           2HB      HIS 585   9.035  -9.439  -0.322
  148    HD2  HIS 585           2HD      HIS 585  11.782  -7.430   0.058
  149    HE1  HIS 585           1HE      HIS 585   9.314  -4.806  -2.222
  150    HE2  HIS 585           2HE      HIS 585  11.700  -5.296  -1.486
  151    H    LYS 586           H        LYS 586   7.134  -6.084   1.354
  152    HA   LYS 586           HA       LYS 586   8.115  -5.527   4.142
  153    HB2  LYS 586           1HB      LYS 586   7.793  -3.685   1.738
  154    HB3  LYS 586           2HB      LYS 586   8.213  -3.151   3.370
  155    HG2  LYS 586           1HG      LYS 586  10.243  -4.569   3.332
  156    HG3  LYS 586           2HG      LYS 586   9.868  -5.070   1.673
  157    HD2  LYS 586           1HD      LYS 586   9.979  -2.721   0.922
  158    HD3  LYS 586           2HD      LYS 586  10.380  -2.195   2.561
  159    HE2  LYS 586           1HE      LYS 586  12.035  -4.147   0.889
  160    HE3  LYS 586           2HE      LYS 586  12.338  -2.410   0.973
  161    HZ1  LYS 586           3HZ      LYS 586  12.720  -2.652   3.371
  162    HZ2  LYS 586           1HZ      LYS 586  13.751  -3.594   2.528
  163    HZ3  LYS 586           2HZ      LYS 586  12.478  -4.269   3.287
  164    H    LYS 587           H        LYS 587   5.318  -6.027   2.410
  165    HA   LYS 587           HA       LYS 587   3.145  -5.460   2.498
  166    HB2  LYS 587           1HB      LYS 587   3.797  -5.436   5.457
  167    HB3  LYS 587           2HB      LYS 587   2.164  -5.100   4.871
  168    HG2  LYS 587           1HG      LYS 587   2.111  -7.216   3.631
  169    HG3  LYS 587           2HG      LYS 587   3.754  -7.606   4.178
  170    HD2  LYS 587           1HD      LYS 587   3.031  -7.800   6.477
  171    HD3  LYS 587           2HD      LYS 587   1.470  -7.065   6.107
  172    HE2  LYS 587           1HE      LYS 587   1.136  -9.439   6.361
  173    HE3  LYS 587           2HE      LYS 587   0.855  -8.984   4.680
  174    HZ1  LYS 587           3HZ      LYS 587   3.095  -9.834   4.156
  175    HZ2  LYS 587           1HZ      LYS 587   2.212 -11.006   4.867
  176    HZ3  LYS 587           2HZ      LYS 587   3.358 -10.225   5.723
  177    H    ARG 588           H        ARG 588   4.573  -3.589   1.466
  178    HA   ARG 588           HA       ARG 588   3.365  -0.988   2.356
  179    HB2  ARG 588           1HB      ARG 588   5.848  -1.296   2.805
  180    HB3  ARG 588           2HB      ARG 588   6.102  -1.341   1.072
  181    HG2  ARG 588           1HG      ARG 588   5.187   0.956   0.886
  182    HG3  ARG 588           2HG      ARG 588   4.898   0.978   2.630
  183    HD2  ARG 588           1HD      ARG 588   7.398   0.535   2.909
  184    HD3  ARG 588           2HD      ARG 588   7.565   0.730   1.167
  185    HE   ARG 588           HE       ARG 588   6.178   2.985   2.342
  186   HH11  ARG 588          1HH1      ARG 588   9.433   1.732   1.896
  187   HH12  ARG 588          2HH1      ARG 588  10.168   3.278   2.217
  188   HH21  ARG 588          1HH2      ARG 588   7.172   4.864   2.858
  189   HH22  ARG 588          2HH2      ARG 588   8.911   5.033   2.712
  190    H    GLY 589           H        GLY 589   2.659   0.414   0.745
  191    HA2  GLY 589           1HA      GLY 589   2.919  -0.436  -2.107
  192    HA3  GLY 589           2HA      GLY 589   1.327  -0.076  -1.441
  193    H    LEU 590           H        LEU 590   3.507   1.213  -3.391
  194    HA   LEU 590           HA       LEU 590   3.219   4.023  -2.393
  195    HB2  LEU 590           1HB      LEU 590   5.452   2.809  -4.059
  196    HB3  LEU 590           2HB      LEU 590   5.240   4.529  -3.742
  197    HG   LEU 590           HG       LEU 590   5.889   2.376  -1.693
  198   HD11  LEU 590          1HD1      LEU 590   7.966   3.640  -1.433
  199   HD12  LEU 590          2HD1      LEU 590   7.421   4.840  -2.627
  200   HD13  LEU 590          3HD1      LEU 590   7.759   3.170  -3.130
  201   HD21  LEU 590          3HD2      LEU 590   4.500   3.823  -0.512
  202   HD22  LEU 590          1HD2      LEU 590   5.070   5.287  -1.341
  203   HD23  LEU 590          2HD2      LEU 590   6.108   4.429  -0.151
  204    H    CYS 591           H        CYS 591   1.912   5.275  -3.523
  205    HA   CYS 591           HA       CYS 591   0.605   4.461  -5.886
  206    HB2  CYS 591           1HB      CYS 591  -0.137   6.173  -4.198
  207    HB3  CYS 591           2HB      CYS 591   1.039   7.296  -4.944
  208    H    SER 592           H        SER 592   0.914   4.760  -8.021
  209    HA   SER 592           HA       SER 592   3.583   5.569  -8.974
  210    HB2  SER 592           1HB      SER 592   2.386   3.478  -9.711
  211    HB3  SER 592           2HB      SER 592   1.255   4.508 -10.606
  212    HG   SER 592           HG       SER 592   3.132   5.352 -11.726
  213    H    ARG 593           H        ARG 593   0.627   7.209  -8.504
  214    HA   ARG 593           HA       ARG 593   0.888   9.047 -10.801
  215    HB2  ARG 593           1HB      ARG 593  -1.300   8.337 -10.227
  216    HB3  ARG 593           2HB      ARG 593  -1.088   8.728  -8.521
  217    HG2  ARG 593           1HG      ARG 593  -1.168  11.068  -8.906
  218    HG3  ARG 593           2HG      ARG 593  -0.967  10.867 -10.654
  219    HD2  ARG 593           1HD      ARG 593  -3.164   9.874 -10.872
  220    HD3  ARG 593           2HD      ARG 593  -3.342   9.724  -9.129
  221    HE   ARG 593           HE       ARG 593  -3.428  12.269 -10.709
  222   HH11  ARG 593          1HH1      ARG 593  -4.243  10.610  -7.723
  223   HH12  ARG 593          2HH1      ARG 593  -5.027  12.021  -7.060
  224   HH21  ARG 593          1HH2      ARG 593  -4.502  13.996  -9.819
  225   HH22  ARG 593          2HH2      ARG 593  -5.205  13.862  -8.235
  226    H    LEU 594           H        LEU 594   2.202  10.713 -10.772
  227    HA   LEU 594           HA       LEU 594   3.783  11.404  -8.505
  228    HB2  LEU 594           1HB      LEU 594   3.373  12.908 -11.121
  229    HB3  LEU 594           2HB      LEU 594   4.676  13.195  -9.973
  230    HG   LEU 594           HG       LEU 594   4.254  10.629 -11.567
  231   HD11  LEU 594          1HD1      LEU 594   5.026  12.549 -12.912
  232   HD12  LEU 594          2HD1      LEU 594   6.289  11.319 -12.749
  233   HD13  LEU 594          3HD1      LEU 594   6.371  12.808 -11.779
  234   HD21  LEU 594          3HD2      LEU 594   5.327  10.078  -9.434
  235   HD22  LEU 594          1HD2      LEU 594   6.487  11.412  -9.641
  236   HD23  LEU 594          2HD2      LEU 594   6.518  10.009 -10.732
  237    H    ALA 595           H        ALA 595   0.766  12.812  -9.605
  238    HA   ALA 595           HA       ALA 595   0.900  15.171  -7.909
  239    HB1  ALA 595           1HB      ALA 595  -0.417  15.069  -9.996
  240    HB2  ALA 595           2HB      ALA 595  -1.447  13.798  -9.291
  241    HB3  ALA 595           3HB      ALA 595  -1.448  15.435  -8.601
  242    H    CYS 596           H        CYS 596   0.484  11.912  -7.135
  243    HA   CYS 596           HA       CYS 596  -1.203  12.404  -4.718
  244    HB2  CYS 596           1HB      CYS 596  -2.197  11.079  -6.494
  245    HB3  CYS 596           2HB      CYS 596  -0.797  10.014  -6.541
  246    H    GLY 597           H        GLY 597   1.249  10.039  -5.829
  247    HA2  GLY 597           1HA      GLY 597   3.108   9.104  -4.829
  248    HA3  GLY 597           2HA      GLY 597   3.388  10.740  -4.222
  249    H    PHE 598           H        PHE 598   1.064   8.106  -3.367
  250    HA   PHE 598           HA       PHE 598   1.341   8.873  -0.536
  251    HB2  PHE 598           1HB      PHE 598  -0.894   8.956  -1.604
  252    HB3  PHE 598           2HB      PHE 598  -0.842   7.220  -1.893
  253    HD1  PHE 598           2HD      PHE 598  -0.172   9.617   1.001
  254    HD2  PHE 598           1HD      PHE 598  -2.022   5.956  -0.303
  255    HE1  PHE 598           2HE      PHE 598  -1.082   9.270   3.286
  256    HE2  PHE 598           1HE      PHE 598  -2.973   5.649   1.998
  257    HZ   PHE 598           HZ       PHE 598  -2.584   7.288   3.738
  258    H    ASP 599           H        ASP 599   1.450   7.321   1.117
  259    HA   ASP 599           HA       ASP 599   2.873   4.797   0.401
  260    HB2  ASP 599           1HB      ASP 599   4.440   6.592   1.009
  261    HB3  ASP 599           2HB      ASP 599   3.553   6.891   2.504
  262    H    PHE 600           H        PHE 600   1.507   3.216   0.937
  263    HA   PHE 600           HA       PHE 600  -0.028   3.454   3.483
  264    HB2  PHE 600           1HB      PHE 600  -1.970   2.605   2.391
  265    HB3  PHE 600           2HB      PHE 600  -1.384   4.040   1.584
  266    HD1  PHE 600           2HD      PHE 600  -0.453   3.946  -0.704
  267    HD2  PHE 600           1HD      PHE 600  -1.987   0.437   1.276
  268    HE1  PHE 600           2HE      PHE 600  -0.666   2.803  -2.886
  269    HE2  PHE 600           1HE      PHE 600  -2.198  -0.713  -0.909
  270    HZ   PHE 600           HZ       PHE 600  -1.559   0.471  -2.999
  271    H    CYS 601           H        CYS 601  -0.860   1.673   4.433
  272    HA   CYS 601           HA       CYS 601   0.781  -0.759   4.461
  273    HB2  CYS 601           1HB      CYS 601   0.012   0.306   6.533
  274    HB3  CYS 601           2HB      CYS 601  -1.662   0.220   5.979
  275    H    VAL 602           H        VAL 602   0.314  -2.522   3.324
  276    HA   VAL 602           HA       VAL 602  -1.961  -2.509   1.498
  277    HB   VAL 602           HB       VAL 602  -0.982  -4.473   0.481
  278   HG11  VAL 602          1HG1      VAL 602  -0.118  -2.289  -0.157
  279   HG12  VAL 602          2HG1      VAL 602   1.080  -2.348   1.154
  280   HG13  VAL 602          3HG1      VAL 602   1.177  -3.488  -0.193
  281   HG21  VAL 602          3HG2      VAL 602   1.236  -5.333   1.352
  282   HG22  VAL 602          1HG2      VAL 602   0.888  -4.479   2.866
  283   HG23  VAL 602          2HG2      VAL 602  -0.180  -5.777   2.317
  284    H    LEU 603           H        LEU 603  -1.841  -3.527   4.656
  285    HA   LEU 603           HA       LEU 603  -3.821  -5.732   4.265
  286    HB2  LEU 603           1HB      LEU 603  -2.361  -4.735   6.721
  287    HB3  LEU 603           2HB      LEU 603  -3.580  -6.004   6.729
  288    HG   LEU 603           HG       LEU 603  -0.845  -6.127   5.399
  289   HD11  LEU 603          1HD1      LEU 603  -0.512  -7.944   7.073
  290   HD12  LEU 603          2HD1      LEU 603  -2.132  -7.638   7.719
  291   HD13  LEU 603          3HD1      LEU 603  -0.874  -6.393   7.848
  292   HD21  LEU 603          3HD2      LEU 603  -1.425  -8.521   4.931
  293   HD22  LEU 603          1HD2      LEU 603  -2.378  -7.387   3.975
  294   HD23  LEU 603          2HD2      LEU 603  -3.103  -8.179   5.396
  295    H    CYS 604           H        CYS 604  -3.602  -2.445   5.671
  296    HA   CYS 604           HA       CYS 604  -6.542  -2.533   6.156
  297    HB2  CYS 604           1HB      CYS 604  -6.238  -1.149   8.077
  298    HB3  CYS 604           2HB      CYS 604  -5.406  -2.696   8.240
  299    H    LEU 605           H        LEU 605  -4.340  -1.064   4.212
  300    HA   LEU 605           HA       LEU 605  -4.395   0.675   2.778
  301    HB2  LEU 605           1HB      LEU 605  -7.375   0.211   3.093
  302    HB3  LEU 605           2HB      LEU 605  -6.707   1.284   1.884
  303    HG   LEU 605           HG       LEU 605  -6.083  -1.690   2.059
  304   HD11  LEU 605          1HD1      LEU 605  -7.482  -1.858   0.048
  305   HD12  LEU 605          2HD1      LEU 605  -7.836  -0.118   0.124
  306   HD13  LEU 605          3HD1      LEU 605  -8.418  -1.208   1.402
  307   HD21  LEU 605          3HD2      LEU 605  -5.172  -1.304  -0.263
  308   HD22  LEU 605          1HD2      LEU 605  -4.220  -0.533   1.004
  309   HD23  LEU 605          2HD2      LEU 605  -5.324   0.447   0.012
  310    H    CYS 606           H        CYS 606  -4.092   1.381   5.511
  311    HA   CYS 606           HA       CYS 606  -4.866   4.280   5.428
  312    HB2  CYS 606           1HB      CYS 606  -3.987   2.511   7.757
  313    HB3  CYS 606           2HB      CYS 606  -4.306   4.249   7.861
  314    HG   CYS 606           HG       CYS 606  -6.398   1.868   6.868
  315    H    ALA 607           H        ALA 607  -3.045   5.645   6.525
  316    HA   ALA 607           HA       ALA 607  -0.730   5.625   4.902
  317    HB1  ALA 607           1HB      ALA 607  -1.529   7.601   6.137
  318    HB2  ALA 607           2HB      ALA 607  -1.124   6.815   7.681
  319    HB3  ALA 607           3HB      ALA 607   0.162   7.243   6.533
  320    H    TYR 608           H        TYR 608   1.238   4.701   5.028
  321    HA   TYR 608           HA       TYR 608   1.421   2.163   6.125
  322    HB2  TYR 608           1HB      TYR 608   2.632   2.926   4.174
  323    HB3  TYR 608           2HB      TYR 608   3.574   4.047   5.140
  324    HD1  TYR 608           1HD      TYR 608   2.741   0.339   5.265
  325    HD2  TYR 608           2HD      TYR 608   5.775   3.415   5.357
  326    HE1  TYR 608           1HE      TYR 608   4.516  -1.408   5.307
  327    HE2  TYR 608           2HE      TYR 608   7.540   1.670   5.364
  328    HH   TYR 608           HH       TYR 608   7.938  -0.511   4.870
  329    H    HIS 609           H        HIS 609   2.077   1.241   7.927
  330    HA   HIS 609           HA       HIS 609   3.408   2.859  10.041
  331    HB2  HIS 609           1HB      HIS 609   1.929   1.832  11.675
  332    HB3  HIS 609           2HB      HIS 609   1.033   2.715  10.452
  333    HD1  HIS 609           1HD      HIS 609   1.873  -0.970  11.329
  334    HD2  HIS 609           2HD      HIS 609  -0.902   1.404   9.242
  335    HE1  HIS 609           1HE      HIS 609   0.002  -2.525  10.671
  336    H    GLY 610           H        GLY 610   4.527   0.831   8.095
  337    HA2  GLY 610           1HA      GLY 610   6.241  -0.716   8.120
  338    HA3  GLY 610           2HA      GLY 610   6.650   0.021   9.663
  339    H    SER 611           H        SER 611   6.951  -1.429  11.204
  340    HA   SER 611           HA       SER 611   5.890  -4.177  11.012
  341    HB2  SER 611           1HB      SER 611   7.485  -4.608  12.855
  342    HB3  SER 611           2HB      SER 611   8.240  -3.885  11.428
  343    HG   SER 611           HG       SER 611   8.924  -2.887  13.395
  344    H    GLU 612           H        GLU 612   4.578  -1.405  12.450
  345    HA   GLU 612           HA       GLU 612   3.563  -2.567  14.900
  346    HB2  GLU 612           1HB      GLU 612   3.893  -0.145  14.452
  347    HB3  GLU 612           2HB      GLU 612   2.652  -0.229  13.197
  348    HG2  GLU 612           1HG      GLU 612   1.842   0.809  15.213
  349    HG3  GLU 612           2HG      GLU 612   0.936  -0.633  14.789
  350    H    ASP 613           H        ASP 613   1.243  -2.928  15.263
  351    HA   ASP 613           HA       ASP 613   0.104  -4.711  13.189
  352    HB2  ASP 613           1HB      ASP 613  -0.690  -4.112  16.056
  353    HB3  ASP 613           2HB      ASP 613  -1.631  -5.141  14.981
  354    H    CYS 614           H        CYS 614  -1.840  -4.498  12.160
  355    HA   CYS 614           HA       CYS 614  -2.906  -1.892  11.626
  356    HB2  CYS 614           1HB      CYS 614  -3.891  -4.700  10.983
  357    HB3  CYS 614           2HB      CYS 614  -4.496  -3.224  10.233
  358    H    ARG 615           H        ARG 615  -5.368  -1.706  11.512
  359    HA   ARG 615           HA       ARG 615  -6.821  -2.600  13.974
  360    HB2  ARG 615           1HB      ARG 615  -6.721   0.242  12.872
  361    HB3  ARG 615           2HB      ARG 615  -7.785  -0.305  14.169
  362    HG2  ARG 615           1HG      ARG 615  -4.735  -0.335  14.290
  363    HG3  ARG 615           2HG      ARG 615  -5.773   0.923  14.965
  364    HD2  ARG 615           1HD      ARG 615  -6.850  -0.730  16.459
  365    HD3  ARG 615           2HD      ARG 615  -5.812  -2.008  15.830
  366    HE   ARG 615           HE       ARG 615  -5.082   0.150  17.688
  367   HH11  ARG 615          1HH1      ARG 615  -3.749  -2.344  15.585
  368   HH12  ARG 615          2HH1      ARG 615  -2.189  -2.239  16.344
  369   HH21  ARG 615          1HH2      ARG 615  -3.084   0.129  18.654
  370   HH22  ARG 615          2HH2      ARG 615  -1.858  -0.972  18.097
  371    H    ARG 616           H        ARG 616  -7.296  -4.155  12.200
  372    HA   ARG 616           HA       ARG 616  -8.915  -3.303   9.941
  373    HB2  ARG 616           1HB      ARG 616  -8.385  -6.154  10.856
  374    HB3  ARG 616           2HB      ARG 616  -8.861  -5.596   9.249
  375    HG2  ARG 616           1HG      ARG 616  -6.649  -4.289   9.186
  376    HG3  ARG 616           2HG      ARG 616  -6.202  -5.159  10.659
  377    HD2  ARG 616           1HD      ARG 616  -5.192  -6.373   8.944
  378    HD3  ARG 616           2HD      ARG 616  -6.607  -7.330   9.372
  379    HE   ARG 616           HE       ARG 616  -6.287  -5.552   6.959
  380   HH11  ARG 616          1HH2      ARG 616  -8.054  -8.256   8.348
  381   HH12  ARG 616          2HH2      ARG 616  -8.853  -8.583   6.835
  382   HH21  ARG 616          1HH1      ARG 616  -7.257  -6.014   5.163
  383   HH22  ARG 616          2HH1      ARG 616  -8.418  -7.325   5.041
  384    H    GLY 617           H        GLY 617  -9.797  -4.272  13.108
  385    HA2  GLY 617           1HA      GLY 617 -12.404  -5.425  12.610
  386    HA3  GLY 617           2HA      GLY 617 -11.799  -4.819  14.150
  Start of MODEL   15
    1    H    THR 566           1H       THR 566  -3.488 -16.356 -13.589
    2    HA   THR 566           HA       THR 566  -2.596 -14.265 -14.304
    3    HB   THR 566           HB       THR 566  -4.646 -13.026 -12.435
    4    HG1  THR 566           1HG      THR 566  -5.534 -12.303 -14.367
    5   HG21  THR 566          1HG2      THR 566  -2.641 -11.619 -12.561
    6   HG22  THR 566          2HG2      THR 566  -3.919 -10.900 -13.540
    7   HG23  THR 566          3HG2      THR 566  -2.598 -11.784 -14.335
    8    H    ASP 567           H        ASP 567  -0.640 -14.062 -13.370
    9    HA   ASP 567           HA       ASP 567  -0.330 -14.748 -10.505
   10    HB2  ASP 567           1HB      ASP 567   1.888 -15.416 -11.064
   11    HB3  ASP 567           2HB      ASP 567   0.791 -16.134 -12.234
   12    H    GLU 568           H        GLU 568  -0.644 -11.966 -12.116
   13    HA   GLU 568           HA       GLU 568   1.471 -10.380 -10.790
   14    HB2  GLU 568           1HB      GLU 568  -0.833  -9.549 -12.597
   15    HB3  GLU 568           2HB      GLU 568   0.400  -8.464 -11.942
   16    HG2  GLU 568           1HG      GLU 568   2.170  -9.801 -13.092
   17    HG3  GLU 568           2HG      GLU 568   0.916 -10.805 -13.825
   18    H    ALA 569           H        ALA 569   1.002  -8.547  -9.424
   19    HA   ALA 569           HA       ALA 569  -1.611  -8.322  -8.138
   20    HB1  ALA 569           1HB      ALA 569   0.912  -8.996  -6.558
   21    HB2  ALA 569           2HB      ALA 569  -0.630  -8.467  -5.863
   22    HB3  ALA 569           3HB      ALA 569  -0.534 -10.026  -6.719
   23    H    LEU 570           H        LEU 570  -2.010  -6.273  -8.010
   24    HA   LEU 570           HA       LEU 570  -0.141  -4.305  -6.943
   25    HB2  LEU 570           1HB      LEU 570  -1.550  -3.942  -9.626
   26    HB3  LEU 570           2HB      LEU 570  -0.834  -2.621  -8.705
   27    HG   LEU 570           HG       LEU 570   0.743  -4.993  -9.813
   28   HD11  LEU 570          1HD1      LEU 570   0.539  -2.144 -10.791
   29   HD12  LEU 570          2HD1      LEU 570  -0.167  -3.584 -11.578
   30   HD13  LEU 570          3HD1      LEU 570   1.597  -3.430 -11.431
   31   HD21  LEU 570          3HD2      LEU 570   1.813  -3.902  -7.853
   32   HD22  LEU 570          1HD2      LEU 570   1.657  -2.325  -8.665
   33   HD23  LEU 570          2HD2      LEU 570   2.712  -3.591  -9.339
   34    H    LYS 571           H        LYS 571  -1.217  -3.016  -5.542
   35    HA   LYS 571           HA       LYS 571  -4.164  -3.360  -5.339
   36    HB2  LYS 571           1HB      LYS 571  -2.321  -2.251  -3.207
   37    HB3  LYS 571           2HB      LYS 571  -4.021  -2.642  -3.053
   38    HG2  LYS 571           1HG      LYS 571  -3.313  -5.068  -3.764
   39    HG3  LYS 571           2HG      LYS 571  -1.678  -4.543  -3.316
   40    HD2  LYS 571           1HD      LYS 571  -2.597  -3.898  -1.039
   41    HD3  LYS 571           2HD      LYS 571  -4.169  -4.543  -1.552
   42    HE2  LYS 571           1HE      LYS 571  -2.867  -6.729  -2.101
   43    HE3  LYS 571           2HE      LYS 571  -1.558  -6.048  -1.141
   44    HZ1  LYS 571           3HZ      LYS 571  -4.325  -6.576  -0.177
   45    HZ2  LYS 571           1HZ      LYS 571  -3.163  -5.890   0.744
   46    HZ3  LYS 571           2HZ      LYS 571  -3.003  -7.438   0.227
   47    HA   PRO 572           HA       PRO 572  -4.865   0.922  -6.398
   48    HB2  PRO 572           1HB      PRO 572  -7.308   1.361  -5.271
   49    HB3  PRO 572           2HB      PRO 572  -7.073   0.373  -6.731
   50    HG2  PRO 572           1HG      PRO 572  -7.390  -0.542  -3.854
   51    HG3  PRO 572           2HG      PRO 572  -8.172  -1.213  -5.318
   52    HD2  PRO 572           1HD      PRO 572  -5.912  -2.304  -4.157
   53    HD3  PRO 572           2HD      PRO 572  -6.236  -2.397  -5.917
   54    H    CYS 573           H        CYS 573  -4.099   2.719  -5.504
   55    HA   CYS 573           HA       CYS 573  -3.240   3.121  -2.886
   56    HB2  CYS 573           1HB      CYS 573  -2.424   4.366  -4.730
   57    HB3  CYS 573           2HB      CYS 573  -4.027   4.896  -5.190
   58    HA   PRO 574           HA       PRO 574  -7.096   3.763  -0.707
   59    HB2  PRO 574           1HB      PRO 574  -6.110   4.700   1.692
   60    HB3  PRO 574           2HB      PRO 574  -5.931   3.006   1.133
   61    HG2  PRO 574           1HG      PRO 574  -3.979   5.291   0.830
   62    HG3  PRO 574           2HG      PRO 574  -3.643   3.647   1.498
   63    HD2  PRO 574           1HD      PRO 574  -3.064   4.261  -1.038
   64    HD3  PRO 574           2HD      PRO 574  -3.751   2.659  -0.616
   65    H    ARG 575           H        ARG 575  -5.033   6.332  -1.719
   66    HA   ARG 575           HA       ARG 575  -6.880   8.511  -0.836
   67    HB2  ARG 575           1HB      ARG 575  -4.218   8.532  -2.194
   68    HB3  ARG 575           2HB      ARG 575  -5.229   9.960  -1.941
   69    HG2  ARG 575           1HG      ARG 575  -5.222   9.440   0.554
   70    HG3  ARG 575           2HG      ARG 575  -4.024   8.172   0.206
   71    HD2  ARG 575           1HD      ARG 575  -2.700  10.047   0.719
   72    HD3  ARG 575           2HD      ARG 575  -2.733   9.952  -1.049
   73    HE   ARG 575           HE       ARG 575  -4.231  11.900   0.661
   74   HH11  ARG 575          1HH1      ARG 575  -2.949  11.204  -2.598
   75   HH12  ARG 575          2HH1      ARG 575  -3.380  12.798  -3.127
   76   HH21  ARG 575          1HH2      ARG 575  -4.694  13.878  -0.164
   77   HH22  ARG 575          2HH2      ARG 575  -4.309  14.255  -1.815
   78    H    CYS 576           H        CYS 576  -5.542   7.162  -3.855
   79    HA   CYS 576           HA       CYS 576  -7.673   8.563  -5.414
   80    HB2  CYS 576           1HB      CYS 576  -6.061   9.414  -6.899
   81    HB3  CYS 576           2HB      CYS 576  -5.475   9.777  -5.276
   82    H    GLN 577           H        GLN 577  -6.586   5.532  -4.772
   83    HA   GLN 577           HA       GLN 577  -6.876   3.526  -5.660
   84    HB2  GLN 577           1HB      GLN 577  -8.902   4.844  -7.478
   85    HB3  GLN 577           2HB      GLN 577  -8.798   3.125  -7.143
   86    HG2  GLN 577           1HG      GLN 577  -9.311   5.166  -4.933
   87    HG3  GLN 577           2HG      GLN 577 -10.584   4.466  -5.913
   88   HE21  GLN 577          1HE2      GLN 577  -8.020   3.585  -3.513
   89   HE22  GLN 577          2HE2      GLN 577  -8.857   2.110  -3.043
   90    H    SER 578           H        SER 578  -4.943   5.488  -7.195
   91    HA   SER 578           HA       SER 578  -4.480   4.327  -9.747
   92    HB2  SER 578           1HB      SER 578  -3.444   6.420  -8.698
   93    HB3  SER 578           2HB      SER 578  -2.377   5.330  -7.791
   94    HG   SER 578           HG       SER 578  -2.591   5.755 -10.581
   95    HA   PRO 579           HA       PRO 579  -2.840   0.286  -8.438
   96    HB2  PRO 579           1HB      PRO 579  -1.425  -0.475 -10.657
   97    HB3  PRO 579           2HB      PRO 579  -3.203  -0.470 -10.586
   98    HG2  PRO 579           1HG      PRO 579  -1.367   1.684 -11.692
   99    HG3  PRO 579           2HG      PRO 579  -2.815   0.969 -12.476
  100    HD2  PRO 579           1HD      PRO 579  -2.915   3.343 -11.147
  101    HD3  PRO 579           2HD      PRO 579  -4.276   2.187 -11.064
  102    H    ALA 580           H        ALA 580  -1.619   1.123  -6.786
  103    HA   ALA 580           HA       ALA 580   0.853   2.517  -6.987
  104    HB1  ALA 580           1HB      ALA 580  -0.440   0.877  -4.761
  105    HB2  ALA 580           2HB      ALA 580   0.903   1.996  -4.518
  106    HB3  ALA 580           3HB      ALA 580  -0.674   2.614  -5.058
  107    H    LYS 581           H        LYS 581   2.976   1.857  -6.542
  108    HA   LYS 581           HA       LYS 581   3.889  -0.682  -7.563
  109    HB2  LYS 581           1HB      LYS 581   5.196   1.500  -7.504
  110    HB3  LYS 581           2HB      LYS 581   5.421   1.240  -5.759
  111    HG2  LYS 581           1HG      LYS 581   6.569  -0.896  -6.200
  112    HG3  LYS 581           2HG      LYS 581   6.296  -0.698  -7.944
  113    HD2  LYS 581           1HD      LYS 581   7.658   1.370  -7.933
  114    HD3  LYS 581           2HD      LYS 581   7.925   1.195  -6.185
  115    HE2  LYS 581           1HE      LYS 581   9.044  -0.982  -6.562
  116    HE3  LYS 581           2HE      LYS 581   8.742  -0.852  -8.300
  117    HZ1  LYS 581           3HZ      LYS 581  10.152   1.135  -8.332
  118    HZ2  LYS 581           1HZ      LYS 581  10.991  -0.131  -7.740
  119    HZ3  LYS 581           2HZ      LYS 581  10.436   1.020  -6.727
  120    H    TYR 582           H        TYR 582   3.362  -2.497  -6.595
  121    HA   TYR 582           HA       TYR 582   2.802  -2.630  -3.748
  122    HB2  TYR 582           1HB      TYR 582   1.361  -3.688  -5.493
  123    HB3  TYR 582           2HB      TYR 582   2.716  -4.716  -5.933
  124    HD1  TYR 582           2HD      TYR 582   1.565  -3.868  -2.456
  125    HD2  TYR 582           1HD      TYR 582   1.806  -6.793  -5.602
  126    HE1  TYR 582           2HE      TYR 582   0.887  -5.624  -0.851
  127    HE2  TYR 582           1HE      TYR 582   1.077  -8.580  -3.980
  128    HH   TYR 582           HH       TYR 582   0.391  -7.856  -0.538
  129    H    GLN 583           H        GLN 583   4.009  -3.492  -2.166
  130    HA   GLN 583           HA       GLN 583   6.583  -4.863  -2.826
  131    HB2  GLN 583           1HB      GLN 583   6.165  -2.972  -0.518
  132    HB3  GLN 583           2HB      GLN 583   7.672  -3.580  -1.186
  133    HG2  GLN 583           1HG      GLN 583   7.093  -2.189  -3.312
  134    HG3  GLN 583           2HG      GLN 583   5.790  -1.481  -2.361
  135   HE21  GLN 583          1HE2      GLN 583   7.481   0.318  -3.312
  136   HE22  GLN 583          2HE2      GLN 583   8.576   0.874  -2.051
  137    HA   PRO 584           HA       PRO 584   3.757  -7.441  -0.105
  138    HB2  PRO 584           1HB      PRO 584   4.413  -9.913  -1.188
  139    HB3  PRO 584           2HB      PRO 584   3.142  -8.834  -1.819
  140    HG2  PRO 584           1HG      PRO 584   6.000  -9.098  -2.781
  141    HG3  PRO 584           2HG      PRO 584   4.497  -9.062  -3.760
  142    HD2  PRO 584           1HD      PRO 584   6.008  -6.856  -3.455
  143    HD3  PRO 584           2HD      PRO 584   4.223  -6.737  -3.414
  144    H    HIS 585           H        HIS 585   7.183  -7.811  -0.887
  145    HA   HIS 585           HA       HIS 585   7.942  -9.453   1.373
  146    HB2  HIS 585           1HB      HIS 585  10.206  -8.886   0.661
  147    HB3  HIS 585           2HB      HIS 585   9.220  -9.377  -0.708
  148    HD2  HIS 585           2HD      HIS 585  11.923  -7.292  -0.436
  149    HE1  HIS 585           1HE      HIS 585   9.305  -4.749  -2.639
  150    HE2  HIS 585           2HE      HIS 585  11.727  -5.172  -1.990
  151    H    LYS 586           H        LYS 586   7.220  -6.091   1.063
  152    HA   LYS 586           HA       LYS 586   8.301  -5.507   3.809
  153    HB2  LYS 586           1HB      LYS 586   7.929  -3.654   1.417
  154    HB3  LYS 586           2HB      LYS 586   8.403  -3.132   3.038
  155    HG2  LYS 586           1HG      LYS 586  10.428  -4.559   2.924
  156    HG3  LYS 586           2HG      LYS 586   9.996  -5.037   1.271
  157    HD2  LYS 586           1HD      LYS 586  10.130  -2.690   0.528
  158    HD3  LYS 586           2HD      LYS 586  10.530  -2.179   2.186
  159    HE2  LYS 586           1HE      LYS 586  12.561  -3.617   2.128
  160    HE3  LYS 586           2HE      LYS 586  12.162  -4.120   0.482
  161    HZ1  LYS 586           3HZ      LYS 586  13.783  -2.314   0.477
  162    HZ2  LYS 586           1HZ      LYS 586  12.788  -1.334   1.317
  163    HZ3  LYS 586           2HZ      LYS 586  12.400  -1.781  -0.207
  164    H    LYS 587           H        LYS 587   5.497  -6.264   2.372
  165    HA   LYS 587           HA       LYS 587   3.301  -5.688   2.413
  166    HB2  LYS 587           1HB      LYS 587   4.076  -5.562   5.344
  167    HB3  LYS 587           2HB      LYS 587   2.402  -5.319   4.822
  168    HG2  LYS 587           1HG      LYS 587   2.391  -7.461   3.639
  169    HG3  LYS 587           2HG      LYS 587   4.069  -7.772   4.129
  170    HD2  LYS 587           1HD      LYS 587   3.453  -7.952   6.451
  171    HD3  LYS 587           2HD      LYS 587   1.866  -7.241   6.151
  172    HE2  LYS 587           1HE      LYS 587   1.565  -9.606   6.467
  173    HE3  LYS 587           2HE      LYS 587   1.200  -9.193   4.792
  174    HZ1  LYS 587           3HZ      LYS 587   3.420 -10.040   4.182
  175    HZ2  LYS 587           1HZ      LYS 587   2.581 -11.202   4.961
  176    HZ3  LYS 587           2HZ      LYS 587   3.760 -10.392   5.743
  177    H    ARG 588           H        ARG 588   4.655  -3.734   1.338
  178    HA   ARG 588           HA       ARG 588   3.430  -1.178   2.329
  179    HB2  ARG 588           1HB      ARG 588   5.896  -1.558   2.777
  180    HB3  ARG 588           2HB      ARG 588   6.175  -1.503   1.052
  181    HG2  ARG 588           1HG      ARG 588   5.464   0.813   0.960
  182    HG3  ARG 588           2HG      ARG 588   4.904   0.757   2.645
  183    HD2  ARG 588           1HD      ARG 588   7.239   0.212   3.357
  184    HD3  ARG 588           2HD      ARG 588   7.776   0.331   1.708
  185    HE   ARG 588           HE       ARG 588   6.366   2.732   2.608
  186   HH11  ARG 588          1HH1      ARG 588   9.519   1.194   2.831
  187   HH12  ARG 588          2HH1      ARG 588  10.300   2.667   3.340
  188   HH21  ARG 588          1HH2      ARG 588   7.388   4.513   3.359
  189   HH22  ARG 588          2HH2      ARG 588   9.126   4.523   3.594
  190    H    GLY 589           H        GLY 589   2.748   0.314   0.804
  191    HA2  GLY 589           1HA      GLY 589   2.960  -0.409  -2.084
  192    HA3  GLY 589           2HA      GLY 589   1.380  -0.068  -1.388
  193    H    LEU 590           H        LEU 590   3.543   1.280  -3.306
  194    HA   LEU 590           HA       LEU 590   3.370   4.042  -2.159
  195    HB2  LEU 590           1HB      LEU 590   5.510   2.838  -3.951
  196    HB3  LEU 590           2HB      LEU 590   5.364   4.550  -3.564
  197    HG   LEU 590           HG       LEU 590   6.010   2.299  -1.622
  198   HD11  LEU 590          1HD1      LEU 590   8.127   3.496  -1.379
  199   HD12  LEU 590          2HD1      LEU 590   7.574   4.768  -2.492
  200   HD13  LEU 590          3HD1      LEU 590   7.851   3.118  -3.091
  201   HD21  LEU 590          3HD2      LEU 590   5.289   5.214  -1.114
  202   HD22  LEU 590          1HD2      LEU 590   6.326   4.267   0.006
  203   HD23  LEU 590          2HD2      LEU 590   4.689   3.734  -0.335
  204    H    CYS 591           H        CYS 591   2.149   5.441  -3.190
  205    HA   CYS 591           HA       CYS 591   0.549   4.691  -5.340
  206    HB2  CYS 591           1HB      CYS 591   0.106   6.499  -3.672
  207    HB3  CYS 591           2HB      CYS 591   1.243   7.536  -4.601
  208    H    SER 592           H        SER 592   0.443   5.048  -7.447
  209    HA   SER 592           HA       SER 592   2.938   5.610  -8.940
  210    HB2  SER 592           1HB      SER 592   0.305   4.345  -9.747
  211    HB3  SER 592           2HB      SER 592   1.658   4.633 -10.856
  212    HG   SER 592           HG       SER 592   1.420   2.511  -9.593
  213    H    ARG 593           H        ARG 593   0.250   7.411  -7.938
  214    HA   ARG 593           HA       ARG 593   0.330   9.295 -10.233
  215    HB2  ARG 593           1HB      ARG 593  -1.829   8.685  -9.318
  216    HB3  ARG 593           2HB      ARG 593  -1.351   9.181  -7.695
  217    HG2  ARG 593           1HG      ARG 593  -1.063  11.530  -8.502
  218    HG3  ARG 593           2HG      ARG 593  -1.514  11.000 -10.103
  219    HD2  ARG 593           1HD      ARG 593  -3.174  11.542  -7.684
  220    HD3  ARG 593           2HD      ARG 593  -3.526  11.914  -9.360
  221    HE   ARG 593           HE       ARG 593  -4.113   9.437  -7.845
  222   HH11  ARG 593          1HH1      ARG 593  -4.151  10.767 -11.096
  223   HH12  ARG 593          2HH1      ARG 593  -5.270   9.551 -11.649
  224   HH21  ARG 593          1HH2      ARG 593  -5.544   8.036  -8.552
  225   HH22  ARG 593          2HH2      ARG 593  -6.056   8.024 -10.222
  226    H    LEU 594           H        LEU 594   1.832  10.823 -10.263
  227    HA   LEU 594           HA       LEU 594   3.663  11.264  -8.124
  228    HB2  LEU 594           1HB      LEU 594   3.134  12.944 -10.609
  229    HB3  LEU 594           2HB      LEU 594   4.557  13.067  -9.579
  230    HG   LEU 594           HG       LEU 594   3.785  10.633 -11.248
  231   HD11  LEU 594          1HD1      LEU 594   4.569  12.562 -12.571
  232   HD12  LEU 594          2HD1      LEU 594   5.744  11.238 -12.594
  233   HD13  LEU 594          3HD1      LEU 594   6.034  12.662 -11.569
  234   HD21  LEU 594          3HD2      LEU 594   5.013   9.890  -9.261
  235   HD22  LEU 594          1HD2      LEU 594   6.249  11.145  -9.523
  236   HD23  LEU 594          2HD2      LEU 594   6.062   9.804 -10.675
  237    H    ALA 595           H        ALA 595   0.730  13.057  -8.954
  238    HA   ALA 595           HA       ALA 595   1.233  15.273  -7.155
  239    HB1  ALA 595           1HB      ALA 595  -1.103  15.844  -7.669
  240    HB2  ALA 595           2HB      ALA 595  -0.218  15.425  -9.147
  241    HB3  ALA 595           3HB      ALA 595  -1.349  14.255  -8.422
  242    H    CYS 596           H        CYS 596   0.109  12.047  -6.631
  243    HA   CYS 596           HA       CYS 596  -1.198  12.629  -4.030
  244    HB2  CYS 596           1HB      CYS 596  -2.370  11.301  -5.663
  245    HB3  CYS 596           2HB      CYS 596  -0.972  10.257  -5.884
  246    H    GLY 597           H        GLY 597   1.144  10.263  -5.307
  247    HA2  GLY 597           1HA      GLY 597   3.064   9.295  -4.435
  248    HA3  GLY 597           2HA      GLY 597   3.382  10.917  -3.813
  249    H    PHE 598           H        PHE 598   1.245   8.143  -2.925
  250    HA   PHE 598           HA       PHE 598   1.565   8.853  -0.071
  251    HB2  PHE 598           1HB      PHE 598  -0.695   8.931  -1.119
  252    HB3  PHE 598           2HB      PHE 598  -0.627   7.203  -1.410
  253    HD1  PHE 598           2HD      PHE 598  -0.138   9.705   1.400
  254    HD2  PHE 598           1HD      PHE 598  -1.603   5.823   0.246
  255    HE1  PHE 598           2HE      PHE 598  -1.095   9.393   3.673
  256    HE2  PHE 598           1HE      PHE 598  -2.544   5.520   2.544
  257    HZ   PHE 598           HZ       PHE 598  -2.347   7.284   4.218
  258    H    ASP 599           H        ASP 599   1.622   7.148   1.502
  259    HA   ASP 599           HA       ASP 599   3.074   4.690   0.635
  260    HB2  ASP 599           1HB      ASP 599   4.684   6.432   1.250
  261    HB3  ASP 599           2HB      ASP 599   3.835   6.727   2.767
  262    H    PHE 600           H        PHE 600   1.702   3.099   1.160
  263    HA   PHE 600           HA       PHE 600   0.264   3.265   3.766
  264    HB2  PHE 600           1HB      PHE 600  -1.714   2.454   2.710
  265    HB3  PHE 600           2HB      PHE 600  -1.141   3.902   1.923
  266    HD1  PHE 600           2HD      PHE 600  -0.320   3.885  -0.397
  267    HD2  PHE 600           1HD      PHE 600  -1.736   0.297   1.530
  268    HE1  PHE 600           2HE      PHE 600  -0.619   2.813  -2.605
  269    HE2  PHE 600           1HE      PHE 600  -2.031  -0.780  -0.686
  270    HZ   PHE 600           HZ       PHE 600  -1.491   0.478  -2.759
  271    H    CYS 601           H        CYS 601  -0.521   1.477   4.725
  272    HA   CYS 601           HA       CYS 601   1.080  -0.977   4.638
  273    HB2  CYS 601           1HB      CYS 601   0.394   0.016   6.769
  274    HB3  CYS 601           2HB      CYS 601  -1.299   0.005   6.256
  275    H    VAL 602           H        VAL 602   0.569  -2.683   3.409
  276    HA   VAL 602           HA       VAL 602  -1.802  -2.583   1.703
  277    HB   VAL 602           HB       VAL 602  -0.911  -4.499   0.547
  278   HG11  VAL 602          1HG1      VAL 602   1.218  -2.444   1.203
  279   HG12  VAL 602          2HG1      VAL 602   1.229  -3.527  -0.195
  280   HG13  VAL 602          3HG1      VAL 602  -0.043  -2.317  -0.041
  281   HG21  VAL 602          3HG2      VAL 602  -0.040  -5.955   2.177
  282   HG22  VAL 602          1HG2      VAL 602   1.389  -5.385   1.297
  283   HG23  VAL 602          2HG2      VAL 602   0.988  -4.714   2.888
  284    H    LEU 603           H        LEU 603  -1.511  -3.739   4.809
  285    HA   LEU 603           HA       LEU 603  -3.483  -5.945   4.448
  286    HB2  LEU 603           1HB      LEU 603  -2.001  -4.927   6.880
  287    HB3  LEU 603           2HB      LEU 603  -3.189  -6.224   6.901
  288    HG   LEU 603           HG       LEU 603  -0.474  -6.272   5.523
  289   HD11  LEU 603          1HD1      LEU 603  -1.688  -7.834   7.850
  290   HD12  LEU 603          2HD1      LEU 603  -0.452  -6.567   7.969
  291   HD13  LEU 603          3HD1      LEU 603  -0.076  -8.105   7.172
  292   HD21  LEU 603          3HD2      LEU 603  -2.685  -8.375   5.531
  293   HD22  LEU 603          1HD2      LEU 603  -1.007  -8.675   5.038
  294   HD23  LEU 603          2HD2      LEU 603  -1.998  -7.552   4.110
  295    H    CYS 604           H        CYS 604  -3.281  -2.663   5.859
  296    HA   CYS 604           HA       CYS 604  -6.213  -2.757   6.377
  297    HB2  CYS 604           1HB      CYS 604  -5.896  -1.502   8.360
  298    HB3  CYS 604           2HB      CYS 604  -5.051  -3.047   8.446
  299    H    LEU 605           H        LEU 605  -4.059  -1.230   4.469
  300    HA   LEU 605           HA       LEU 605  -4.151   0.563   3.100
  301    HB2  LEU 605           1HB      LEU 605  -7.114   0.065   3.503
  302    HB3  LEU 605           2HB      LEU 605  -6.506   1.198   2.315
  303    HG   LEU 605           HG       LEU 605  -5.809  -1.765   2.334
  304   HD11  LEU 605          1HD1      LEU 605  -7.722  -0.173   0.572
  305   HD12  LEU 605          2HD1      LEU 605  -8.192  -1.339   1.830
  306   HD13  LEU 605          3HD1      LEU 605  -7.317  -1.896   0.397
  307   HD21  LEU 605          3HD2      LEU 605  -5.246   0.477   0.333
  308   HD22  LEU 605          1HD2      LEU 605  -5.043  -1.256  -0.016
  309   HD23  LEU 605          2HD2      LEU 605  -4.050  -0.492   1.223
  310    H    CYS 606           H        CYS 606  -3.682   1.217   5.790
  311    HA   CYS 606           HA       CYS 606  -4.479   4.112   5.794
  312    HB2  CYS 606           1HB      CYS 606  -3.577   2.321   8.092
  313    HB3  CYS 606           2HB      CYS 606  -3.919   4.055   8.218
  314    HG   CYS 606           HG       CYS 606  -5.985   1.738   7.076
  315    H    ALA 607           H        ALA 607  -2.640   5.459   6.859
  316    HA   ALA 607           HA       ALA 607  -0.349   5.422   5.203
  317    HB1  ALA 607           1HB      ALA 607  -0.692   6.618   7.987
  318    HB2  ALA 607           2HB      ALA 607   0.578   7.038   6.819
  319    HB3  ALA 607           3HB      ALA 607  -1.116   7.407   6.447
  320    H    TYR 608           H        TYR 608   1.615   4.471   5.301
  321    HA   TYR 608           HA       TYR 608   1.797   1.940   6.401
  322    HB2  TYR 608           1HB      TYR 608   3.037   2.754   4.459
  323    HB3  TYR 608           2HB      TYR 608   4.028   3.780   5.485
  324    HD1  TYR 608           1HD      TYR 608   3.059   0.188   4.917
  325    HD2  TYR 608           2HD      TYR 608   6.073   2.938   6.334
  326    HE1  TYR 608           1HE      TYR 608   4.728  -1.646   4.929
  327    HE2  TYR 608           2HE      TYR 608   7.747   1.088   6.338
  328    HH   TYR 608           HH       TYR 608   6.973  -2.029   4.819
  329    H    HIS 609           H        HIS 609   2.432   1.016   8.215
  330    HA   HIS 609           HA       HIS 609   3.655   2.674  10.359
  331    HB2  HIS 609           1HB      HIS 609   2.122   1.660  11.940
  332    HB3  HIS 609           2HB      HIS 609   1.267   2.498  10.659
  333    HD1  HIS 609           1HD      HIS 609   2.149  -1.152  11.642
  334    HD2  HIS 609           2HD      HIS 609  -0.583   1.123   9.392
  335    HE1  HIS 609           1HE      HIS 609   0.365  -2.765  10.905
  336    H    GLY 610           H        GLY 610   4.880   0.631   8.497
  337    HA2  GLY 610           1HA      GLY 610   6.608  -0.895   8.609
  338    HA3  GLY 610           2HA      GLY 610   6.991  -0.046  10.102
  339    H    SER 611           H        SER 611   7.218  -1.302  11.817
  340    HA   SER 611           HA       SER 611   6.370  -4.131  11.801
  341    HB2  SER 611           1HB      SER 611   7.846  -4.273  13.785
  342    HB3  SER 611           2HB      SER 611   8.658  -3.623  12.352
  343    HG   SER 611           HG       SER 611   9.118  -2.406  14.260
  344    H    GLU 612           H        GLU 612   4.809  -1.339  12.895
  345    HA   GLU 612           HA       GLU 612   3.727  -2.413  15.394
  346    HB2  GLU 612           1HB      GLU 612   2.751  -0.108  13.664
  347    HB3  GLU 612           2HB      GLU 612   2.167  -0.521  15.275
  348    HG2  GLU 612           1HG      GLU 612   4.486  -0.188  16.175
  349    HG3  GLU 612           2HG      GLU 612   4.998   0.369  14.582
  350    H    ASP 613           H        ASP 613   1.394  -2.849  15.729
  351    HA   ASP 613           HA       ASP 613   0.388  -4.741  13.741
  352    HB2  ASP 613           1HB      ASP 613  -0.711  -3.831  16.423
  353    HB3  ASP 613           2HB      ASP 613  -1.430  -5.083  15.415
  354    H    CYS 614           H        CYS 614  -1.491  -4.663  12.554
  355    HA   CYS 614           HA       CYS 614  -2.543  -2.138  11.696
  356    HB2  CYS 614           1HB      CYS 614  -3.417  -5.025  11.252
  357    HB3  CYS 614           2HB      CYS 614  -4.122  -3.645  10.417
  358    H    ARG 615           H        ARG 615  -4.795  -1.585  11.626
  359    HA   ARG 615           HA       ARG 615  -6.062  -1.374  14.192
  360    HB2  ARG 615           1HB      ARG 615  -7.853  -0.214  12.989
  361    HB3  ARG 615           2HB      ARG 615  -6.263   0.349  12.472
  362    HG2  ARG 615           1HG      ARG 615  -6.436  -1.160  10.461
  363    HG3  ARG 615           2HG      ARG 615  -8.087  -1.573  10.947
  364    HD2  ARG 615           1HD      ARG 615  -8.759   0.791  10.723
  365    HD3  ARG 615           2HD      ARG 615  -7.094   1.241  10.357
  366    HE   ARG 615           HE       ARG 615  -7.255   0.336   8.209
  367   HH11  ARG 615          1HH1      ARG 615 -10.291  -0.427   9.874
  368   HH12  ARG 615          2HH1      ARG 615 -11.066  -0.816   8.363
  369   HH21  ARG 615          1HH2      ARG 615  -8.277  -0.229   6.428
  370   HH22  ARG 615          2HH2      ARG 615  -9.967  -0.701   6.445
  371    H    ARG 616           H        ARG 616  -7.921  -2.224  15.028
  372    HA   ARG 616           HA       ARG 616  -8.843  -4.865  13.986
  373    HB2  ARG 616           1HB      ARG 616  -9.422  -3.431  16.609
  374    HB3  ARG 616           2HB      ARG 616 -10.030  -5.026  16.153
  375    HG2  ARG 616           1HG      ARG 616  -7.666  -5.833  15.911
  376    HG3  ARG 616           2HG      ARG 616  -7.093  -4.283  16.540
  377    HD2  ARG 616           1HD      ARG 616  -8.940  -6.221  17.994
  378    HD3  ARG 616           2HD      ARG 616  -7.195  -6.079  18.262
  379    HE   ARG 616           HE       ARG 616  -8.117  -3.505  18.669
  380   HH11  ARG 616          1HH1      ARG 616  -8.874  -6.577  20.175
  381   HH12  ARG 616          2HH1      ARG 616  -9.323  -5.830  21.684
  382   HH21  ARG 616          1HH2      ARG 616  -8.714  -2.618  20.618
  383   HH22  ARG 616          2HH2      ARG 616  -9.225  -3.647  21.923
  384    H    GLY 617           H        GLY 617 -10.037  -1.599  14.362
  385    HA2  GLY 617           1HA      GLY 617 -12.811  -2.220  13.536
  386    HA3  GLY 617           2HA      GLY 617 -12.138  -0.630  13.907
  Start of MODEL   16
    1    H    THR 566           1H       THR 566  -5.511 -13.682 -17.291
    2    HA   THR 566           HA       THR 566  -5.891 -13.820 -14.380
    3    HB   THR 566           HB       THR 566  -4.582 -15.714 -15.343
    4    HG1  THR 566           1HG      THR 566  -3.059 -15.544 -13.751
    5   HG21  THR 566          1HG2      THR 566  -3.292 -14.517 -17.125
    6   HG22  THR 566          2HG2      THR 566  -2.264 -15.391 -15.985
    7   HG23  THR 566          3HG2      THR 566  -2.413 -13.629 -15.857
    8    H    ASP 567           H        ASP 567  -4.235 -12.508 -13.190
    9    HA   ASP 567           HA       ASP 567  -3.492  -9.966 -14.546
   10    HB2  ASP 567           1HB      ASP 567  -5.317 -10.193 -12.118
   11    HB3  ASP 567           2HB      ASP 567  -4.530  -8.706 -12.633
   12    H    GLU 568           H        GLU 568  -1.971  -8.691 -13.383
   13    HA   GLU 568           HA       GLU 568  -0.120 -10.261 -11.730
   14    HB2  GLU 568           1HB      GLU 568   1.441  -8.503 -12.058
   15    HB3  GLU 568           2HB      GLU 568   0.687  -8.896 -13.600
   16    HG2  GLU 568           1HG      GLU 568  -0.849  -6.897 -13.270
   17    HG3  GLU 568           2HG      GLU 568   0.103  -6.472 -11.845
   18    H    ALA 569           H        ALA 569   0.987  -9.095  -9.842
   19    HA   ALA 569           HA       ALA 569  -1.111  -8.528  -7.851
   20    HB1  ALA 569           1HB      ALA 569   0.698  -8.885  -6.247
   21    HB2  ALA 569           2HB      ALA 569   0.534 -10.276  -7.346
   22    HB3  ALA 569           3HB      ALA 569   1.865  -9.104  -7.559
   23    H    LEU 570           H        LEU 570  -1.684  -6.468  -8.354
   24    HA   LEU 570           HA       LEU 570  -0.005  -4.375  -7.176
   25    HB2  LEU 570           1HB      LEU 570  -1.214  -4.129  -9.961
   26    HB3  LEU 570           2HB      LEU 570  -0.586  -2.772  -9.028
   27    HG   LEU 570           HG       LEU 570   1.101  -5.154  -9.938
   28   HD11  LEU 570          1HD1      LEU 570   0.948  -2.341 -11.020
   29   HD12  LEU 570          2HD1      LEU 570   0.307  -3.812 -11.809
   30   HD13  LEU 570          3HD1      LEU 570   2.054  -3.644 -11.537
   31   HD21  LEU 570          3HD2      LEU 570   3.017  -3.740  -9.378
   32   HD22  LEU 570          1HD2      LEU 570   2.023  -3.980  -7.945
   33   HD23  LEU 570          2HD2      LEU 570   1.926  -2.440  -8.832
   34    H    LYS 571           H        LYS 571  -1.165  -3.091  -5.942
   35    HA   LYS 571           HA       LYS 571  -4.115  -3.474  -5.824
   36    HB2  LYS 571           1HB      LYS 571  -2.221  -2.497  -3.666
   37    HB3  LYS 571           2HB      LYS 571  -3.949  -2.718  -3.483
   38    HG2  LYS 571           1HG      LYS 571  -3.701  -5.147  -4.019
   39    HG3  LYS 571           2HG      LYS 571  -1.937  -4.934  -4.069
   40    HD2  LYS 571           1HD      LYS 571  -1.962  -4.112  -1.745
   41    HD3  LYS 571           2HD      LYS 571  -3.709  -4.361  -1.644
   42    HE2  LYS 571           1HE      LYS 571  -1.658  -6.557  -2.205
   43    HE3  LYS 571           2HE      LYS 571  -2.310  -6.186  -0.605
   44    HZ1  LYS 571           3HZ      LYS 571  -3.931  -7.110  -2.916
   45    HZ2  LYS 571           1HZ      LYS 571  -4.529  -6.736  -1.438
   46    HZ3  LYS 571           2HZ      LYS 571  -3.523  -8.006  -1.619
   47    HA   PRO 572           HA       PRO 572  -4.814   0.816  -6.804
   48    HB2  PRO 572           1HB      PRO 572  -7.228   1.275  -5.615
   49    HB3  PRO 572           2HB      PRO 572  -7.034   0.292  -7.086
   50    HG2  PRO 572           1HG      PRO 572  -7.291  -0.635  -4.205
   51    HG3  PRO 572           2HG      PRO 572  -8.111  -1.294  -5.655
   52    HD2  PRO 572           1HD      PRO 572  -5.836  -2.411  -4.554
   53    HD3  PRO 572           2HD      PRO 572  -6.191  -2.483  -6.308
   54    H    CYS 573           H        CYS 573  -4.049   2.635  -5.935
   55    HA   CYS 573           HA       CYS 573  -3.231   3.090  -3.289
   56    HB2  CYS 573           1HB      CYS 573  -2.393   4.325  -5.156
   57    HB3  CYS 573           2HB      CYS 573  -3.999   4.832  -5.629
   58    HA   PRO 574           HA       PRO 574  -7.199   3.647  -1.278
   59    HB2  PRO 574           1HB      PRO 574  -6.317   4.673   1.149
   60    HB3  PRO 574           2HB      PRO 574  -6.129   2.963   0.638
   61    HG2  PRO 574           1HG      PRO 574  -4.180   5.242   0.361
   62    HG3  PRO 574           2HG      PRO 574  -3.858   3.610   1.072
   63    HD2  PRO 574           1HD      PRO 574  -3.167   4.186  -1.438
   64    HD3  PRO 574           2HD      PRO 574  -3.878   2.589  -1.033
   65    H    ARG 575           H        ARG 575  -5.281   6.221  -2.403
   66    HA   ARG 575           HA       ARG 575  -7.287   8.314  -1.603
   67    HB2  ARG 575           1HB      ARG 575  -4.396   8.493  -2.499
   68    HB3  ARG 575           2HB      ARG 575  -5.452   9.895  -2.263
   69    HG2  ARG 575           1HG      ARG 575  -5.871   9.108   0.101
   70    HG3  ARG 575           2HG      ARG 575  -4.587   7.905  -0.122
   71    HD2  ARG 575           1HD      ARG 575  -2.955   9.670  -0.558
   72    HD3  ARG 575           2HD      ARG 575  -4.203  10.910  -0.502
   73    HE   ARG 575           HE       ARG 575  -3.061   9.395   1.777
   74   HH11  ARG 575          1HH1      ARG 575  -5.444  11.791   0.830
   75   HH12  ARG 575          2HH1      ARG 575  -5.691  12.325   2.470
   76   HH21  ARG 575          1HH2      ARG 575  -3.440  10.126   3.844
   77   HH22  ARG 575          2HH2      ARG 575  -4.579  11.408   4.121
   78    H    CYS 576           H        CYS 576  -5.486   7.154  -4.463
   79    HA   CYS 576           HA       CYS 576  -7.492   8.559  -6.175
   80    HB2  CYS 576           1HB      CYS 576  -5.805   9.183  -7.704
   81    HB3  CYS 576           2HB      CYS 576  -5.320   9.718  -6.094
   82    H    GLN 577           H        GLN 577  -6.540   5.522  -5.329
   83    HA   GLN 577           HA       GLN 577  -6.911   3.468  -6.096
   84    HB2  GLN 577           1HB      GLN 577  -8.912   4.746  -7.968
   85    HB3  GLN 577           2HB      GLN 577  -8.834   3.038  -7.569
   86    HG2  GLN 577           1HG      GLN 577  -9.279   5.150  -5.414
   87    HG3  GLN 577           2HG      GLN 577 -10.584   4.485  -6.378
   88   HE21  GLN 577          1HE2      GLN 577  -8.020   3.519  -4.006
   89   HE22  GLN 577          2HE2      GLN 577  -8.921   2.095  -3.494
   90    H    SER 578           H        SER 578  -4.944   5.280  -7.655
   91    HA   SER 578           HA       SER 578  -4.522   4.045 -10.201
   92    HB2  SER 578           1HB      SER 578  -2.442   5.260  -8.335
   93    HB3  SER 578           2HB      SER 578  -2.307   5.042 -10.086
   94    HG   SER 578           HG       SER 578  -3.746   6.903  -8.581
   95    HA   PRO 579           HA       PRO 579  -2.635   0.147  -8.849
   96    HB2  PRO 579           1HB      PRO 579  -1.062  -0.510 -10.992
   97    HB3  PRO 579           2HB      PRO 579  -2.838  -0.631 -11.011
   98    HG2  PRO 579           1HG      PRO 579  -1.103   1.647 -12.023
   99    HG3  PRO 579           2HG      PRO 579  -2.453   0.836 -12.884
  100    HD2  PRO 579           1HD      PRO 579  -2.791   3.195 -11.574
  101    HD3  PRO 579           2HD      PRO 579  -4.068   1.941 -11.550
  102    H    ALA 580           H        ALA 580  -1.507   0.923  -7.137
  103    HA   ALA 580           HA       ALA 580   0.926   2.466  -7.249
  104    HB1  ALA 580           1HB      ALA 580   0.880   1.985  -4.776
  105    HB2  ALA 580           2HB      ALA 580  -0.683   2.567  -5.386
  106    HB3  ALA 580           3HB      ALA 580  -0.436   0.839  -5.054
  107    H    LYS 581           H        LYS 581   3.038   1.824  -6.615
  108    HA   LYS 581           HA       LYS 581   4.005  -0.717  -7.610
  109    HB2  LYS 581           1HB      LYS 581   5.293   1.471  -7.517
  110    HB3  LYS 581           2HB      LYS 581   5.462   1.224  -5.764
  111    HG2  LYS 581           1HG      LYS 581   6.594  -0.938  -6.163
  112    HG3  LYS 581           2HG      LYS 581   6.425  -0.725  -7.909
  113    HD2  LYS 581           1HD      LYS 581   7.994   1.130  -6.057
  114    HD3  LYS 581           2HD      LYS 581   8.692  -0.171  -7.034
  115    HE2  LYS 581           1HE      LYS 581   7.830   0.932  -9.103
  116    HE3  LYS 581           2HE      LYS 581   7.208   2.265  -8.122
  117    HZ1  LYS 581           3HZ      LYS 581   9.498   2.725  -7.416
  118    HZ2  LYS 581           1HZ      LYS 581   9.389   2.791  -9.043
  119    HZ3  LYS 581           2HZ      LYS 581  10.071   1.495  -8.327
  120    H    TYR 582           H        TYR 582   3.434  -2.527  -6.649
  121    HA   TYR 582           HA       TYR 582   2.790  -2.667  -3.826
  122    HB2  TYR 582           1HB      TYR 582   1.510  -3.856  -5.659
  123    HB3  TYR 582           2HB      TYR 582   2.941  -4.820  -5.941
  124    HD1  TYR 582           2HD      TYR 582   1.607  -3.922  -2.547
  125    HD2  TYR 582           1HD      TYR 582   1.980  -6.884  -5.642
  126    HE1  TYR 582           2HE      TYR 582   0.874  -5.661  -0.946
  127    HE2  TYR 582           1HE      TYR 582   1.172  -8.650  -4.029
  128    HH   TYR 582           HH       TYR 582   0.348  -7.881  -0.630
  129    H    GLN 583           H        GLN 583   3.973  -3.483  -2.181
  130    HA   GLN 583           HA       GLN 583   6.616  -4.768  -2.731
  131    HB2  GLN 583           1HB      GLN 583   6.044  -2.873  -0.457
  132    HB3  GLN 583           2HB      GLN 583   7.597  -3.461  -1.028
  133    HG2  GLN 583           1HG      GLN 583   7.132  -2.113  -3.199
  134    HG3  GLN 583           2HG      GLN 583   5.755  -1.417  -2.350
  135   HE21  GLN 583          1HE2      GLN 583   7.616   0.320  -3.286
  136   HE22  GLN 583          2HE2      GLN 583   8.550   0.956  -1.938
  137    HA   PRO 584           HA       PRO 584   3.729  -7.405  -0.133
  138    HB2  PRO 584           1HB      PRO 584   4.469  -9.858  -1.202
  139    HB3  PRO 584           2HB      PRO 584   3.201  -8.802  -1.872
  140    HG2  PRO 584           1HG      PRO 584   6.092  -9.012  -2.738
  141    HG3  PRO 584           2HG      PRO 584   4.624  -8.990  -3.767
  142    HD2  PRO 584           1HD      PRO 584   6.096  -6.768  -3.392
  143    HD3  PRO 584           2HD      PRO 584   4.310  -6.672  -3.424
  144    H    HIS 585           H        HIS 585   7.183  -7.736  -0.815
  145    HA   HIS 585           HA       HIS 585   7.907  -9.359   1.466
  146    HB2  HIS 585           1HB      HIS 585  10.178  -8.737   0.826
  147    HB3  HIS 585           2HB      HIS 585   9.247  -9.241  -0.575
  148    HD2  HIS 585           2HD      HIS 585  11.894  -7.103  -0.214
  149    HE1  HIS 585           1HE      HIS 585   9.287  -4.594  -2.470
  150    HE2  HIS 585           2HE      HIS 585  11.698  -4.974  -1.754
  151    H    LYS 586           H        LYS 586   7.096  -6.023   1.156
  152    HA   LYS 586           HA       LYS 586   8.093  -5.415   3.926
  153    HB2  LYS 586           1HB      LYS 586   7.724  -3.571   1.530
  154    HB3  LYS 586           2HB      LYS 586   8.142  -3.038   3.164
  155    HG2  LYS 586           1HG      LYS 586  10.205  -4.408   3.101
  156    HG3  LYS 586           2HG      LYS 586   9.835  -4.894   1.437
  157    HD2  LYS 586           1HD      LYS 586   9.881  -2.534   0.718
  158    HD3  LYS 586           2HD      LYS 586  10.275  -2.020   2.364
  159    HE2  LYS 586           1HE      LYS 586  11.973  -3.906   0.661
  160    HE3  LYS 586           2HE      LYS 586  12.232  -2.162   0.768
  161    HZ1  LYS 586           3HZ      LYS 586  12.628  -2.428   3.161
  162    HZ2  LYS 586           1HZ      LYS 586  13.680  -3.330   2.303
  163    HZ3  LYS 586           2HZ      LYS 586  12.426  -4.049   3.056
  164    H    LYS 587           H        LYS 587   5.343  -6.272   2.442
  165    HA   LYS 587           HA       LYS 587   3.122  -5.760   2.445
  166    HB2  LYS 587           1HB      LYS 587   3.878  -5.512   5.377
  167    HB3  LYS 587           2HB      LYS 587   2.202  -5.380   4.867
  168    HG2  LYS 587           1HG      LYS 587   3.913  -7.786   4.116
  169    HG3  LYS 587           2HG      LYS 587   3.002  -7.670   5.631
  170    HD2  LYS 587           1HD      LYS 587   0.906  -7.378   4.410
  171    HD3  LYS 587           2HD      LYS 587   1.743  -7.392   2.867
  172    HE2  LYS 587           1HE      LYS 587   0.552  -9.472   3.346
  173    HE3  LYS 587           2HE      LYS 587   2.281  -9.700   3.032
  174    HZ1  LYS 587           3HZ      LYS 587   2.629  -9.948   5.425
  175    HZ2  LYS 587           1HZ      LYS 587   1.522 -11.029   4.922
  176    HZ3  LYS 587           2HZ      LYS 587   1.039  -9.704   5.740
  177    H    ARG 588           H        ARG 588   4.470  -3.766   1.384
  178    HA   ARG 588           HA       ARG 588   3.148  -1.239   2.325
  179    HB2  ARG 588           1HB      ARG 588   5.578  -1.517   2.926
  180    HB3  ARG 588           2HB      ARG 588   5.971  -1.554   1.225
  181    HG2  ARG 588           1HG      ARG 588   5.179   0.733   0.958
  182    HG3  ARG 588           2HG      ARG 588   4.606   0.768   2.643
  183    HD2  ARG 588           1HD      ARG 588   6.884   0.475   3.460
  184    HD3  ARG 588           2HD      ARG 588   7.488   0.221   1.841
  185    HE   ARG 588           HE       ARG 588   6.128   2.803   2.536
  186   HH11  ARG 588          1HH1      ARG 588   9.110   1.256   1.506
  187   HH12  ARG 588          2HH1      ARG 588   9.979   2.767   1.449
  188   HH21  ARG 588          1HH2      ARG 588   7.292   4.635   2.556
  189   HH22  ARG 588          2HH2      ARG 588   8.951   4.666   1.982
  190    H    GLY 589           H        GLY 589   2.540   0.255   0.764
  191    HA2  GLY 589           1HA      GLY 589   2.925  -0.462  -2.108
  192    HA3  GLY 589           2HA      GLY 589   1.307  -0.110  -1.508
  193    H    LEU 590           H        LEU 590   3.564   1.233  -3.300
  194    HA   LEU 590           HA       LEU 590   3.298   3.991  -2.167
  195    HB2  LEU 590           1HB      LEU 590   5.560   2.834  -3.835
  196    HB3  LEU 590           2HB      LEU 590   5.340   4.545  -3.473
  197    HG   LEU 590           HG       LEU 590   5.961   2.335  -1.478
  198   HD11  LEU 590          1HD1      LEU 590   8.020   3.606  -1.137
  199   HD12  LEU 590          2HD1      LEU 590   7.479   4.854  -2.282
  200   HD13  LEU 590          3HD1      LEU 590   7.846   3.215  -2.859
  201   HD21  LEU 590          3HD2      LEU 590   4.542   3.717  -0.258
  202   HD22  LEU 590          1HD2      LEU 590   5.086   5.216  -1.046
  203   HD23  LEU 590          2HD2      LEU 590   6.131   4.356   0.127
  204    H    CYS 591           H        CYS 591   2.148   5.382  -3.272
  205    HA   CYS 591           HA       CYS 591   0.705   4.621  -5.543
  206    HB2  CYS 591           1HB      CYS 591   0.107   6.391  -3.886
  207    HB3  CYS 591           2HB      CYS 591   1.304   7.457  -4.705
  208    H    SER 592           H        SER 592   0.777   4.993  -7.642
  209    HA   SER 592           HA       SER 592   3.375   5.564  -8.932
  210    HB2  SER 592           1HB      SER 592   0.759   4.461 -10.009
  211    HB3  SER 592           2HB      SER 592   2.255   4.639 -10.945
  212    HG   SER 592           HG       SER 592   1.695   2.543  -9.743
  213    H    ARG 593           H        ARG 593   0.624   7.392  -8.121
  214    HA   ARG 593           HA       ARG 593   0.812   9.264 -10.416
  215    HB2  ARG 593           1HB      ARG 593  -1.367   8.568  -9.662
  216    HB3  ARG 593           2HB      ARG 593  -1.031   9.046  -8.003
  217    HG2  ARG 593           1HG      ARG 593  -0.865  11.423  -8.690
  218    HG3  ARG 593           2HG      ARG 593  -1.136  10.942 -10.356
  219    HD2  ARG 593           1HD      ARG 593  -3.066  10.848  -8.007
  220    HD3  ARG 593           2HD      ARG 593  -3.230  11.804  -9.471
  221    HE   ARG 593           HE       ARG 593  -3.835   8.951  -9.033
  222   HH11  ARG 593          1HH1      ARG 593  -3.721  11.475 -11.472
  223   HH12  ARG 593          2HH1      ARG 593  -4.496  10.472 -12.668
  224   HH21  ARG 593          1HH2      ARG 593  -4.577   7.686 -10.648
  225   HH22  ARG 593          2HH2      ARG 593  -5.049   8.378 -12.184
  226    H    LEU 594           H        LEU 594   2.256  10.848 -10.361
  227    HA   LEU 594           HA       LEU 594   3.946  11.323  -8.121
  228    HB2  LEU 594           1HB      LEU 594   3.535  12.998 -10.631
  229    HB3  LEU 594           2HB      LEU 594   4.889  13.148  -9.517
  230    HG   LEU 594           HG       LEU 594   4.270  10.702 -11.232
  231   HD11  LEU 594          1HD1      LEU 594   5.100  12.649 -12.500
  232   HD12  LEU 594          2HD1      LEU 594   6.298  11.347 -12.451
  233   HD13  LEU 594          3HD1      LEU 594   6.497  12.772 -11.406
  234   HD21  LEU 594          3HD2      LEU 594   5.385   9.976  -9.173
  235   HD22  LEU 594          1HD2      LEU 594   6.610  11.255  -9.354
  236   HD23  LEU 594          2HD2      LEU 594   6.524   9.915 -10.518
  237    H    ALA 595           H        ALA 595   1.028  13.059  -9.100
  238    HA   ALA 595           HA       ALA 595   1.396  15.270  -7.250
  239    HB1  ALA 595           1HB      ALA 595   0.069  15.435  -9.327
  240    HB2  ALA 595           2HB      ALA 595  -1.086  14.236  -8.692
  241    HB3  ALA 595           3HB      ALA 595  -0.912  15.815  -7.900
  242    H    CYS 596           H        CYS 596   0.342  12.017  -6.830
  243    HA   CYS 596           HA       CYS 596  -1.196  12.522  -4.340
  244    HB2  CYS 596           1HB      CYS 596  -2.177  11.228  -6.120
  245    HB3  CYS 596           2HB      CYS 596  -0.767  10.171  -6.192
  246    H    GLY 597           H        GLY 597   1.285  10.203  -5.454
  247    HA2  GLY 597           1HA      GLY 597   3.145   9.263  -4.451
  248    HA3  GLY 597           2HA      GLY 597   3.386  10.883  -3.792
  249    H    PHE 598           H        PHE 598   1.161   8.122  -3.064
  250    HA   PHE 598           HA       PHE 598   1.352   8.807  -0.200
  251    HB2  PHE 598           1HB      PHE 598  -0.861   8.894  -1.324
  252    HB3  PHE 598           2HB      PHE 598  -0.784   7.168  -1.650
  253    HD1  PHE 598           1HD      PHE 598  -0.223   9.532   1.291
  254    HD2  PHE 598           2HD      PHE 598  -1.957   5.844  -0.094
  255    HE1  PHE 598           1HE      PHE 598  -1.167   9.133   3.554
  256    HE2  PHE 598           2HE      PHE 598  -2.939   5.480   2.184
  257    HZ   PHE 598           HZ       PHE 598  -2.624   7.109   3.954
  258    H    ASP 599           H        ASP 599   1.387   7.145   1.391
  259    HA   ASP 599           HA       ASP 599   2.886   4.690   0.601
  260    HB2  ASP 599           1HB      ASP 599   4.387   6.540   1.315
  261    HB3  ASP 599           2HB      ASP 599   3.519   6.656   2.844
  262    H    PHE 600           H        PHE 600   1.497   3.090   1.045
  263    HA   PHE 600           HA       PHE 600  -0.088   3.238   3.566
  264    HB2  PHE 600           1HB      PHE 600  -1.994   2.402   2.400
  265    HB3  PHE 600           2HB      PHE 600  -1.401   3.866   1.650
  266    HD1  PHE 600           1HD      PHE 600  -0.449   3.853  -0.628
  267    HD2  PHE 600           2HD      PHE 600  -1.932   0.257   1.229
  268    HE1  PHE 600           1HE      PHE 600  -0.613   2.770  -2.849
  269    HE2  PHE 600           2HE      PHE 600  -2.101  -0.828  -0.994
  270    HZ   PHE 600           HZ       PHE 600  -1.454   0.426  -3.040
  271    H    CYS 601           H        CYS 601  -0.903   1.440   4.477
  272    HA   CYS 601           HA       CYS 601   0.727  -1.001   4.463
  273    HB2  CYS 601           1HB      CYS 601  -0.076   0.004   6.560
  274    HB3  CYS 601           2HB      CYS 601  -1.738  -0.051   5.962
  275    H    VAL 602           H        VAL 602   0.262  -2.748   3.265
  276    HA   VAL 602           HA       VAL 602  -2.002  -2.629   1.411
  277    HB   VAL 602           HB       VAL 602  -1.029  -4.550   0.316
  278   HG11  VAL 602          1HG1      VAL 602  -0.161  -2.333  -0.214
  279   HG12  VAL 602          2HG1      VAL 602   1.036  -2.469   1.088
  280   HG13  VAL 602          3HG1      VAL 602   1.127  -3.533  -0.322
  281   HG21  VAL 602          3HG2      VAL 602  -0.214  -5.989   1.969
  282   HG22  VAL 602          1HG2      VAL 602   1.261  -5.362   1.204
  283   HG23  VAL 602          2HG2      VAL 602   0.726  -4.729   2.769
  284    H    LEU 603           H        LEU 603  -1.865  -3.765   4.517
  285    HA   LEU 603           HA       LEU 603  -3.762  -6.019   4.102
  286    HB2  LEU 603           1HB      LEU 603  -2.397  -4.934   6.575
  287    HB3  LEU 603           2HB      LEU 603  -3.500  -6.307   6.563
  288    HG   LEU 603           HG       LEU 603  -0.829  -6.164   5.112
  289   HD11  LEU 603          1HD1      LEU 603  -1.678  -7.737   7.578
  290   HD12  LEU 603          2HD1      LEU 603  -0.643  -6.295   7.574
  291   HD13  LEU 603          3HD1      LEU 603  -0.078  -7.781   6.799
  292   HD21  LEU 603          3HD2      LEU 603  -1.188  -8.652   4.820
  293   HD22  LEU 603          1HD2      LEU 603  -2.310  -7.665   3.884
  294   HD23  LEU 603          2HD2      LEU 603  -2.849  -8.436   5.394
  295    H    CYS 604           H        CYS 604  -3.699  -2.709   5.452
  296    HA   CYS 604           HA       CYS 604  -6.641  -2.855   5.899
  297    HB2  CYS 604           1HB      CYS 604  -6.402  -1.502   7.857
  298    HB3  CYS 604           2HB      CYS 604  -5.557  -3.042   8.019
  299    H    LEU 605           H        LEU 605  -4.396  -1.294   4.052
  300    HA   LEU 605           HA       LEU 605  -4.425   0.495   2.687
  301    HB2  LEU 605           1HB      LEU 605  -7.408  -0.016   2.889
  302    HB3  LEU 605           2HB      LEU 605  -6.728   1.140   1.764
  303    HG   LEU 605           HG       LEU 605  -6.030  -1.822   1.776
  304   HD11  LEU 605          1HD1      LEU 605  -7.812  -0.193  -0.086
  305   HD12  LEU 605          2HD1      LEU 605  -8.373  -1.379   1.116
  306   HD13  LEU 605          3HD1      LEU 605  -7.399  -1.913  -0.263
  307   HD21  LEU 605          3HD2      LEU 605  -5.104  -1.266  -0.507
  308   HD22  LEU 605          1HD2      LEU 605  -4.197  -0.538   0.817
  309   HD23  LEU 605          2HD2      LEU 605  -5.324   0.458  -0.131
  310    H    CYS 606           H        CYS 606  -4.147   1.114   5.426
  311    HA   CYS 606           HA       CYS 606  -4.953   4.009   5.411
  312    HB2  CYS 606           1HB      CYS 606  -4.113   2.200   7.721
  313    HB3  CYS 606           2HB      CYS 606  -4.451   3.932   7.850
  314    HG   CYS 606           HG       CYS 606  -6.498   1.549   6.774
  315    H    ALA 607           H        ALA 607  -3.180   5.365   6.553
  316    HA   ALA 607           HA       ALA 607  -0.812   5.375   4.996
  317    HB1  ALA 607           1HB      ALA 607  -1.300   6.543   7.772
  318    HB2  ALA 607           2HB      ALA 607   0.013   6.991   6.664
  319    HB3  ALA 607           3HB      ALA 607  -1.669   7.341   6.224
  320    H    TYR 608           H        TYR 608   1.157   4.446   5.188
  321    HA   TYR 608           HA       TYR 608   1.309   1.913   6.302
  322    HB2  TYR 608           1HB      TYR 608   2.616   2.736   4.407
  323    HB3  TYR 608           2HB      TYR 608   3.557   3.771   5.468
  324    HD1  TYR 608           2HD      TYR 608   2.620   0.161   4.922
  325    HD2  TYR 608           1HD      TYR 608   5.598   2.955   6.335
  326    HE1  TYR 608           2HE      TYR 608   4.299  -1.659   4.987
  327    HE2  TYR 608           1HE      TYR 608   7.284   1.118   6.385
  328    HH   TYR 608           HH       TYR 608   6.533  -2.047   4.933
  329    H    HIS 609           H        HIS 609   1.825   1.027   8.174
  330    HA   HIS 609           HA       HIS 609   2.874   2.752  10.352
  331    HB2  HIS 609           1HB      HIS 609   1.324   1.633  11.862
  332    HB3  HIS 609           2HB      HIS 609   0.508   2.459  10.548
  333    HD1  HIS 609           1HD      HIS 609   1.507  -1.197  11.451
  334    HD2  HIS 609           2HD      HIS 609  -1.276   1.068   9.248
  335    HE1  HIS 609           1HE      HIS 609  -0.199  -2.842  10.610
  336    H    GLY 610           H        GLY 610   4.276   0.732   8.578
  337    HA2  GLY 610           1HA      GLY 610   6.082  -0.697   8.787
  338    HA3  GLY 610           2HA      GLY 610   6.393   0.257  10.232
  339    H    SER 611           H        SER 611   6.637  -0.863  12.031
  340    HA   SER 611           HA       SER 611   6.117  -3.754  12.139
  341    HB2  SER 611           1HB      SER 611   7.309  -1.897  14.229
  342    HB3  SER 611           2HB      SER 611   7.373  -3.669  14.222
  343    HG   SER 611           HG       SER 611   9.297  -2.727  13.386
  344    H    GLU 612           H        GLU 612   4.086  -1.144  12.969
  345    HA   GLU 612           HA       GLU 612   2.861  -2.336  15.352
  346    HB2  GLU 612           1HB      GLU 612   1.838  -0.203  13.437
  347    HB3  GLU 612           2HB      GLU 612   1.039  -0.716  14.919
  348    HG2  GLU 612           1HG      GLU 612   3.000   0.011  16.250
  349    HG3  GLU 612           2HG      GLU 612   3.797   0.563  14.772
  350    H    ASP 613           H        ASP 613   0.741  -3.264  15.467
  351    HA   ASP 613           HA       ASP 613  -0.082  -4.934  13.187
  352    HB2  ASP 613           1HB      ASP 613  -1.284  -4.496  15.947
  353    HB3  ASP 613           2HB      ASP 613  -1.920  -5.609  14.739
  354    H    CYS 614           H        CYS 614  -2.075  -4.763  12.069
  355    HA   CYS 614           HA       CYS 614  -2.966  -2.158  11.411
  356    HB2  CYS 614           1HB      CYS 614  -4.187  -4.903  10.905
  357    HB3  CYS 614           2HB      CYS 614  -4.719  -3.411  10.128
  358    H    ARG 615           H        ARG 615  -5.002  -1.202  11.583
  359    HA   ARG 615           HA       ARG 615  -6.464  -1.710  14.150
  360    HB2  ARG 615           1HB      ARG 615  -5.544   1.000  13.094
  361    HB3  ARG 615           2HB      ARG 615  -6.417   0.690  14.602
  362    HG2  ARG 615           1HG      ARG 615  -4.456  -0.692  15.391
  363    HG3  ARG 615           2HG      ARG 615  -3.581  -0.211  13.927
  364    HD2  ARG 615           1HD      ARG 615  -3.830   2.176  14.565
  365    HD3  ARG 615           2HD      ARG 615  -4.610   1.694  16.070
  366    HE   ARG 615           HE       ARG 615  -1.756   1.599  15.414
  367   HH11  ARG 615          1HH1      ARG 615  -4.106   0.171  17.601
  368   HH12  ARG 615          2HH1      ARG 615  -2.878  -0.233  18.768
  369   HH21  ARG 615          1HH2      ARG 615  -0.284   1.087  16.915
  370   HH22  ARG 615          2HH2      ARG 615  -0.763   0.267  18.390
  371    H    ARG 616           H        ARG 616  -8.566  -0.782  14.311
  372    HA   ARG 616           HA       ARG 616 -10.050  -1.185  11.827
  373    HB2  ARG 616           1HB      ARG 616 -11.925  -1.615  13.083
  374    HB3  ARG 616           2HB      ARG 616 -10.607  -2.317  13.990
  375    HG2  ARG 616           1HG      ARG 616 -12.099   0.271  14.658
  376    HG3  ARG 616           2HG      ARG 616 -12.296  -1.298  15.411
  377    HD2  ARG 616           1HD      ARG 616 -11.011  -0.282  16.978
  378    HD3  ARG 616           2HD      ARG 616  -9.759  -1.092  16.033
  379    HE   ARG 616           HE       ARG 616 -10.363   1.673  15.170
  380   HH11  ARG 616          1HH1      ARG 616  -8.470  -0.046  17.583
  381   HH12  ARG 616          2HH1      ARG 616  -7.463   1.347  17.860
  382   HH21  ARG 616          1HH2      ARG 616  -9.149   3.288  15.549
  383   HH22  ARG 616          2HH2      ARG 616  -7.806   3.237  16.692
  384    H    GLY 617           H        GLY 617  -8.707   1.545  12.722
  385    HA2  GLY 617           1HA      GLY 617  -9.014   3.776  12.138
  386    HA3  GLY 617           2HA      GLY 617 -10.455   3.316  11.230
  Start of MODEL   17
    1    H    THR 566           1H       THR 566  -0.507 -12.606 -14.751
    2    HA   THR 566           HA       THR 566  -1.385 -15.416 -14.690
    3    HB   THR 566           HB       THR 566   0.946 -15.899 -15.525
    4    HG1  THR 566           1HG      THR 566   1.916 -14.230 -16.682
    5   HG21  THR 566          1HG2      THR 566  -0.837 -14.375 -17.478
    6   HG22  THR 566          2HG2      THR 566  -1.077 -16.068 -16.981
    7   HG23  THR 566          3HG2      THR 566   0.385 -15.604 -17.863
    8    H    ASP 567           H        ASP 567   1.515 -13.466 -13.762
    9    HA   ASP 567           HA       ASP 567   1.458 -14.808 -11.091
   10    HB2  ASP 567           1HB      ASP 567   2.941 -15.923 -12.818
   11    HB3  ASP 567           2HB      ASP 567   3.895 -14.443 -12.871
   12    H    GLU 568           H        GLU 568   1.231 -11.867 -12.395
   13    HA   GLU 568           HA       GLU 568   2.965 -10.446 -10.439
   14    HB2  GLU 568           1HB      GLU 568   2.492  -8.441 -11.608
   15    HB3  GLU 568           2HB      GLU 568   3.066  -9.647 -12.742
   16    HG2  GLU 568           1HG      GLU 568   0.093  -9.051 -12.384
   17    HG3  GLU 568           2HG      GLU 568   1.127  -8.087 -13.423
   18    H    ALA 569           H        ALA 569   1.932  -8.440  -9.403
   19    HA   ALA 569           HA       ALA 569  -0.845  -8.597  -8.651
   20    HB1  ALA 569           1HB      ALA 569   0.121 -10.166  -6.990
   21    HB2  ALA 569           2HB      ALA 569   1.372  -8.960  -6.579
   22    HB3  ALA 569           3HB      ALA 569  -0.328  -8.623  -6.218
   23    H    LEU 570           H        LEU 570  -1.520  -6.670  -8.063
   24    HA   LEU 570           HA       LEU 570   0.112  -4.522  -7.031
   25    HB2  LEU 570           1HB      LEU 570  -1.526  -4.180  -9.577
   26    HB3  LEU 570           2HB      LEU 570  -0.885  -2.847  -8.624
   27    HG   LEU 570           HG       LEU 570   0.853  -4.948  -9.998
   28   HD11  LEU 570          1HD1      LEU 570   0.211  -2.102 -10.776
   29   HD12  LEU 570          2HD1      LEU 570  -0.376  -3.578 -11.593
   30   HD13  LEU 570          3HD1      LEU 570   1.359  -3.199 -11.590
   31   HD21  LEU 570          3HD2      LEU 570   2.682  -3.356  -9.598
   32   HD22  LEU 570          1HD2      LEU 570   1.958  -3.823  -8.057
   33   HD23  LEU 570          2HD2      LEU 570   1.560  -2.244  -8.784
   34    H    LYS 571           H        LYS 571  -1.107  -3.079  -5.876
   35    HA   LYS 571           HA       LYS 571  -4.042  -3.580  -5.573
   36    HB2  LYS 571           1HB      LYS 571  -2.270  -2.539  -3.339
   37    HB3  LYS 571           2HB      LYS 571  -3.978  -2.929  -3.266
   38    HG2  LYS 571           1HG      LYS 571  -3.255  -5.355  -3.921
   39    HG3  LYS 571           2HG      LYS 571  -1.627  -4.829  -3.450
   40    HD2  LYS 571           1HD      LYS 571  -2.630  -4.113  -1.207
   41    HD3  LYS 571           2HD      LYS 571  -4.151  -4.853  -1.739
   42    HE2  LYS 571           1HE      LYS 571  -2.709  -6.982  -2.182
   43    HE3  LYS 571           2HE      LYS 571  -1.477  -6.200  -1.201
   44    HZ1  LYS 571           3HZ      LYS 571  -3.150  -6.071   0.620
   45    HZ2  LYS 571           1HZ      LYS 571  -2.870  -7.620   0.166
   46    HZ3  LYS 571           2HZ      LYS 571  -4.236  -6.866  -0.309
   47    HA   PRO 572           HA       PRO 572  -4.458   0.690  -6.705
   48    HB2  PRO 572           1HB      PRO 572  -6.899   1.350  -5.686
   49    HB3  PRO 572           2HB      PRO 572  -6.687   0.279  -7.092
   50    HG2  PRO 572           1HG      PRO 572  -7.123  -0.483  -4.182
   51    HG3  PRO 572           2HG      PRO 572  -7.939  -1.151  -5.630
   52    HD2  PRO 572           1HD      PRO 572  -5.806  -2.391  -4.421
   53    HD3  PRO 572           2HD      PRO 572  -6.071  -2.465  -6.191
   54    H    CYS 573           H        CYS 573  -3.943   2.702  -5.879
   55    HA   CYS 573           HA       CYS 573  -3.122   3.116  -3.207
   56    HB2  CYS 573           1HB      CYS 573  -2.225   4.464  -4.884
   57    HB3  CYS 573           2HB      CYS 573  -3.790   4.884  -5.538
   58    HA   PRO 574           HA       PRO 574  -7.083   3.447  -1.151
   59    HB2  PRO 574           1HB      PRO 574  -6.202   4.563   1.261
   60    HB3  PRO 574           2HB      PRO 574  -5.959   2.851   0.776
   61    HG2  PRO 574           1HG      PRO 574  -4.113   5.200   0.433
   62    HG3  PRO 574           2HG      PRO 574  -3.726   3.588   1.153
   63    HD2  PRO 574           1HD      PRO 574  -3.085   4.171  -1.365
   64    HD3  PRO 574           2HD      PRO 574  -3.747   2.553  -0.958
   65    H    ARG 575           H        ARG 575  -5.240   6.189  -2.130
   66    HA   ARG 575           HA       ARG 575  -7.343   8.150  -1.270
   67    HB2  ARG 575           1HB      ARG 575  -4.502   8.491  -2.285
   68    HB3  ARG 575           2HB      ARG 575  -5.607   9.828  -1.936
   69    HG2  ARG 575           1HG      ARG 575  -5.844   8.985   0.414
   70    HG3  ARG 575           2HG      ARG 575  -4.577   7.788   0.083
   71    HD2  ARG 575           1HD      ARG 575  -2.972   9.559  -0.412
   72    HD3  ARG 575           2HD      ARG 575  -4.209  10.800  -0.243
   73    HE   ARG 575           HE       ARG 575  -2.907   9.237   1.912
   74   HH11  ARG 575          1HH1      ARG 575  -5.394  11.609   1.198
   75   HH12  ARG 575          2HH1      ARG 575  -5.541  12.090   2.866
   76   HH21  ARG 575          1HH2      ARG 575  -3.159   9.901   4.019
   77   HH22  ARG 575          2HH2      ARG 575  -4.302  11.151   4.411
   78    H    CYS 576           H        CYS 576  -5.593   7.111  -4.186
   79    HA   CYS 576           HA       CYS 576  -7.655   8.484  -5.855
   80    HB2  CYS 576           1HB      CYS 576  -5.996   9.495  -7.163
   81    HB3  CYS 576           2HB      CYS 576  -5.529   9.785  -5.489
   82    H    GLN 577           H        GLN 577  -6.413   5.488  -5.234
   83    HA   GLN 577           HA       GLN 577  -6.587   3.494  -6.212
   84    HB2  GLN 577           1HB      GLN 577  -8.607   4.778  -8.062
   85    HB3  GLN 577           2HB      GLN 577  -8.450   3.061  -7.739
   86    HG2  GLN 577           1HG      GLN 577  -9.116   5.039  -5.513
   87    HG3  GLN 577           2HG      GLN 577 -10.330   4.362  -6.580
   88   HE21  GLN 577          1HE2      GLN 577  -7.906   3.434  -4.065
   89   HE22  GLN 577          2HE2      GLN 577  -8.757   1.941  -3.686
   90    H    SER 578           H        SER 578  -4.544   5.385  -7.365
   91    HA   SER 578           HA       SER 578  -3.991   4.588 -10.051
   92    HB2  SER 578           1HB      SER 578  -1.848   5.489  -9.733
   93    HB3  SER 578           2HB      SER 578  -2.858   6.432  -8.636
   94    HG   SER 578           HG       SER 578  -1.367   5.822  -7.225
   95    HA   PRO 579           HA       PRO 579  -2.415   0.380  -9.359
   96    HB2  PRO 579           1HB      PRO 579  -0.744   0.009 -11.477
   97    HB3  PRO 579           2HB      PRO 579  -2.508   0.140 -11.656
   98    HG2  PRO 579           1HG      PRO 579  -0.429   2.328 -12.018
   99    HG3  PRO 579           2HG      PRO 579  -1.769   1.888 -13.124
  100    HD2  PRO 579           1HD      PRO 579  -1.951   3.939 -11.322
  101    HD3  PRO 579           2HD      PRO 579  -3.364   2.936 -11.757
  102    H    ALA 580           H        ALA 580  -1.511   1.560  -7.414
  103    HA   ALA 580           HA       ALA 580   1.034   2.636  -7.155
  104    HB1  ALA 580           1HB      ALA 580  -0.755   2.754  -5.471
  105    HB2  ALA 580           2HB      ALA 580  -0.613   1.008  -5.172
  106    HB3  ALA 580           3HB      ALA 580   0.720   2.084  -4.742
  107    H    LYS 581           H        LYS 581   3.058   1.911  -6.684
  108    HA   LYS 581           HA       LYS 581   3.947  -0.654  -7.624
  109    HB2  LYS 581           1HB      LYS 581   5.291   1.492  -7.560
  110    HB3  LYS 581           2HB      LYS 581   5.448   1.277  -5.803
  111    HG2  LYS 581           1HG      LYS 581   6.584  -0.883  -6.142
  112    HG3  LYS 581           2HG      LYS 581   6.373  -0.735  -7.899
  113    HD2  LYS 581           1HD      LYS 581   7.762   1.315  -7.905
  114    HD3  LYS 581           2HD      LYS 581   7.966   1.193  -6.143
  115    HE2  LYS 581           1HE      LYS 581   9.068  -1.007  -6.411
  116    HE3  LYS 581           2HE      LYS 581   8.825  -0.932  -8.161
  117    HZ1  LYS 581           3HZ      LYS 581  10.491   0.972  -6.596
  118    HZ2  LYS 581           1HZ      LYS 581  10.263   1.035  -8.213
  119    HZ3  LYS 581           2HZ      LYS 581  11.065  -0.220  -7.551
  120    H    TYR 582           H        TYR 582   3.336  -2.442  -6.663
  121    HA   TYR 582           HA       TYR 582   2.755  -2.586  -3.827
  122    HB2  TYR 582           1HB      TYR 582   1.359  -3.664  -5.595
  123    HB3  TYR 582           2HB      TYR 582   2.722  -4.688  -6.004
  124    HD1  TYR 582           2HD      TYR 582   1.620  -3.853  -2.507
  125    HD2  TYR 582           1HD      TYR 582   1.649  -6.714  -5.717
  126    HE1  TYR 582           2HE      TYR 582   0.856  -5.614  -0.935
  127    HE2  TYR 582           1HE      TYR 582   0.854  -8.498  -4.124
  128    HH   TYR 582           HH       TYR 582   0.178  -8.964  -1.977
  129    H    GLN 583           H        GLN 583   3.943  -3.447  -2.226
  130    HA   GLN 583           HA       GLN 583   6.516  -4.833  -2.845
  131    HB2  GLN 583           1HB      GLN 583   6.086  -2.931  -0.547
  132    HB3  GLN 583           2HB      GLN 583   7.597  -3.547  -1.196
  133    HG2  GLN 583           1HG      GLN 583   7.063  -2.149  -3.324
  134    HG3  GLN 583           2HG      GLN 583   5.741  -1.440  -2.397
  135   HE21  GLN 583          1HE2      GLN 583   7.427   0.372  -3.300
  136   HE22  GLN 583          2HE2      GLN 583   8.506   0.922  -2.023
  137    HA   PRO 584           HA       PRO 584   3.639  -7.359  -0.133
  138    HB2  PRO 584           1HB      PRO 584   4.231  -9.835  -1.242
  139    HB3  PRO 584           2HB      PRO 584   2.972  -8.727  -1.842
  140    HG2  PRO 584           1HG      PRO 584   5.802  -9.051  -2.860
  141    HG3  PRO 584           2HG      PRO 584   4.285  -8.955  -3.810
  142    HD2  PRO 584           1HD      PRO 584   5.876  -6.805  -3.495
  143    HD3  PRO 584           2HD      PRO 584   4.097  -6.631  -3.450
  144    H    HIS 585           H        HIS 585   7.053  -7.768  -0.947
  145    HA   HIS 585           HA       HIS 585   7.810  -9.432   1.299
  146    HB2  HIS 585           1HB      HIS 585  10.074  -8.871   0.589
  147    HB3  HIS 585           2HB      HIS 585   9.085  -9.345  -0.783
  148    HD2  HIS 585           2HD      HIS 585  11.793  -7.248  -0.453
  149    HE1  HIS 585           1HE      HIS 585   9.197  -4.720  -2.700
  150    HE2  HIS 585           2HE      HIS 585  11.610  -5.127  -2.005
  151    H    LYS 586           H        LYS 586   7.080  -6.071   1.030
  152    HA   LYS 586           HA       LYS 586   8.166  -5.516   3.778
  153    HB2  LYS 586           1HB      LYS 586   7.812  -3.635   1.404
  154    HB3  LYS 586           2HB      LYS 586   8.284  -3.134   3.032
  155    HG2  LYS 586           1HG      LYS 586  10.302  -4.570   2.909
  156    HG3  LYS 586           2HG      LYS 586   9.874  -5.025   1.249
  157    HD2  LYS 586           1HD      LYS 586  10.025  -2.672   0.536
  158    HD3  LYS 586           2HD      LYS 586  10.415  -2.180   2.201
  159    HE2  LYS 586           1HE      LYS 586  12.442  -3.625   2.140
  160    HE3  LYS 586           2HE      LYS 586  12.052  -4.106   0.485
  161    HZ1  LYS 586           3HZ      LYS 586  12.302  -1.759  -0.172
  162    HZ2  LYS 586           1HZ      LYS 586  13.679  -2.306   0.512
  163    HZ3  LYS 586           2HZ      LYS 586  12.683  -1.334   1.360
  164    H    LYS 587           H        LYS 587   5.366  -6.271   2.355
  165    HA   LYS 587           HA       LYS 587   3.169  -5.695   2.399
  166    HB2  LYS 587           1HB      LYS 587   4.003  -5.621   5.303
  167    HB3  LYS 587           2HB      LYS 587   2.324  -5.275   4.862
  168    HG2  LYS 587           1HG      LYS 587   2.044  -7.365   3.744
  169    HG3  LYS 587           2HG      LYS 587   3.761  -7.777   3.906
  170    HD2  LYS 587           1HD      LYS 587   3.597  -8.065   6.261
  171    HD3  LYS 587           2HD      LYS 587   1.996  -7.298   6.338
  172    HE2  LYS 587           1HE      LYS 587   0.948  -9.108   5.157
  173    HE3  LYS 587           2HE      LYS 587   2.505  -9.817   4.708
  174    HZ1  LYS 587           3HZ      LYS 587   1.493 -11.004   6.579
  175    HZ2  LYS 587           1HZ      LYS 587   1.499  -9.659   7.505
  176    HZ3  LYS 587           2HZ      LYS 587   2.907 -10.339   7.038
  177    H    ARG 588           H        ARG 588   4.541  -3.733   1.317
  178    HA   ARG 588           HA       ARG 588   3.291  -1.177   2.280
  179    HB2  ARG 588           1HB      ARG 588   5.750  -1.527   2.766
  180    HB3  ARG 588           2HB      ARG 588   6.056  -1.509   1.048
  181    HG2  ARG 588           1HG      ARG 588   5.329   0.804   0.890
  182    HG3  ARG 588           2HG      ARG 588   4.767   0.784   2.577
  183    HD2  ARG 588           1HD      ARG 588   7.105   0.254   3.299
  184    HD3  ARG 588           2HD      ARG 588   7.640   0.339   1.649
  185    HE   ARG 588           HE       ARG 588   6.224   2.752   2.544
  186   HH11  ARG 588          1HH1      ARG 588   9.398   1.245   2.634
  187   HH12  ARG 588          2HH1      ARG 588  10.185   2.727   3.110
  188   HH21  ARG 588          1HH2      ARG 588   7.256   4.540   3.261
  189   HH22  ARG 588          2HH2      ARG 588   9.003   4.571   3.413
  190    H    GLY 589           H        GLY 589   2.643   0.315   0.736
  191    HA2  GLY 589           1HA      GLY 589   2.936  -0.400  -2.143
  192    HA3  GLY 589           2HA      GLY 589   1.331  -0.064  -1.499
  193    H    LEU 590           H        LEU 590   3.480   1.305  -3.375
  194    HA   LEU 590           HA       LEU 590   3.282   4.057  -2.212
  195    HB2  LEU 590           1HB      LEU 590   5.464   2.885  -3.969
  196    HB3  LEU 590           2HB      LEU 590   5.293   4.592  -3.578
  197    HG   LEU 590           HG       LEU 590   5.929   2.341  -1.633
  198   HD11  LEU 590          1HD1      LEU 590   7.488   4.823  -2.477
  199   HD12  LEU 590          2HD1      LEU 590   7.786   3.176  -3.072
  200   HD13  LEU 590          3HD1      LEU 590   8.033   3.555  -1.356
  201   HD21  LEU 590          3HD2      LEU 590   4.584   3.757  -0.360
  202   HD22  LEU 590          1HD2      LEU 590   5.170   5.247  -1.130
  203   HD23  LEU 590          2HD2      LEU 590   6.209   4.313   0.001
  204    H    CYS 591           H        CYS 591   2.095   5.464  -3.265
  205    HA   CYS 591           HA       CYS 591   0.539   4.750  -5.470
  206    HB2  CYS 591           1HB      CYS 591   0.088   6.535  -3.771
  207    HB3  CYS 591           2HB      CYS 591   1.261   7.567  -4.658
  208    H    SER 592           H        SER 592   0.557   5.044  -7.596
  209    HA   SER 592           HA       SER 592   3.084   5.773  -8.961
  210    HB2  SER 592           1HB      SER 592   0.566   4.381  -9.914
  211    HB3  SER 592           2HB      SER 592   1.953   4.767 -10.957
  212    HG   SER 592           HG       SER 592   1.851   2.602  -9.815
  213    H    ARG 593           H        ARG 593   0.387   7.507  -8.002
  214    HA   ARG 593           HA       ARG 593   0.400   9.341 -10.350
  215    HB2  ARG 593           1HB      ARG 593  -1.769   8.649  -9.618
  216    HB3  ARG 593           2HB      ARG 593  -1.422   9.045  -7.934
  217    HG2  ARG 593           1HG      ARG 593  -1.389  11.392  -8.359
  218    HG3  ARG 593           2HG      ARG 593  -1.364  11.147 -10.103
  219    HD2  ARG 593           1HD      ARG 593  -3.670  10.356  -8.260
  220    HD3  ARG 593           2HD      ARG 593  -3.584  11.875  -9.134
  221    HE   ARG 593           HE       ARG 593  -3.702  10.694 -11.248
  222   HH11  ARG 593          1HH1      ARG 593  -4.599   8.619  -8.514
  223   HH12  ARG 593          2HH1      ARG 593  -5.733   7.742  -9.478
  224   HH21  ARG 593          1HH2      ARG 593  -5.038   9.387 -12.422
  225   HH22  ARG 593          2HH2      ARG 593  -5.854   8.060 -11.649
  226    H    LEU 594           H        LEU 594   1.826  10.918 -10.335
  227    HA   LEU 594           HA       LEU 594   3.545  11.441  -8.126
  228    HB2  LEU 594           1HB      LEU 594   3.108  13.054 -10.672
  229    HB3  LEU 594           2HB      LEU 594   4.478  13.225  -9.579
  230    HG   LEU 594           HG       LEU 594   3.826  10.742 -11.228
  231   HD11  LEU 594          1HD1      LEU 594   4.651  12.655 -12.550
  232   HD12  LEU 594          2HD1      LEU 594   5.843  11.348 -12.486
  233   HD13  LEU 594          3HD1      LEU 594   6.062  12.797 -11.476
  234   HD21  LEU 594          3HD2      LEU 594   6.191  11.326  -9.390
  235   HD22  LEU 594          1HD2      LEU 594   6.084   9.960 -10.523
  236   HD23  LEU 594          2HD2      LEU 594   4.961  10.059  -9.165
  237    H    ALA 595           H        ALA 595   0.576  13.086  -9.037
  238    HA   ALA 595           HA       ALA 595   0.968  15.386  -7.307
  239    HB1  ALA 595           1HB      ALA 595  -1.549  14.216  -8.570
  240    HB2  ALA 595           2HB      ALA 595  -1.386  15.834  -7.859
  241    HB3  ALA 595           3HB      ALA 595  -0.468  15.418  -9.316
  242    H    CYS 596           H        CYS 596   0.227  12.137  -6.620
  243    HA   CYS 596           HA       CYS 596  -1.229  12.697  -4.076
  244    HB2  CYS 596           1HB      CYS 596  -2.416  11.417  -5.718
  245    HB3  CYS 596           2HB      CYS 596  -1.035  10.376  -6.002
  246    H    GLY 597           H        GLY 597   1.067  10.272  -5.343
  247    HA2  GLY 597           1HA      GLY 597   2.998   9.314  -4.490
  248    HA3  GLY 597           2HA      GLY 597   3.329  10.932  -3.862
  249    H    PHE 598           H        PHE 598   1.159   8.180  -2.987
  250    HA   PHE 598           HA       PHE 598   1.472   8.881  -0.135
  251    HB2  PHE 598           1HB      PHE 598  -0.787   8.962  -1.157
  252    HB3  PHE 598           2HB      PHE 598  -0.695   7.248  -1.529
  253    HD1  PHE 598           1HD      PHE 598   0.005   9.451   1.510
  254    HD2  PHE 598           2HD      PHE 598  -1.946   5.943  -0.051
  255    HE1  PHE 598           1HE      PHE 598  -0.922   8.970   3.762
  256    HE2  PHE 598           2HE      PHE 598  -2.898   5.495   2.225
  257    HZ   PHE 598           HZ       PHE 598  -2.478   6.999   4.071
  258    H    ASP 599           H        ASP 599   1.514   7.182   1.443
  259    HA   ASP 599           HA       ASP 599   2.982   4.728   0.602
  260    HB2  ASP 599           1HB      ASP 599   4.565   6.482   1.277
  261    HB3  ASP 599           2HB      ASP 599   3.683   6.734   2.784
  262    H    PHE 600           H        PHE 600   1.619   3.129   1.081
  263    HA   PHE 600           HA       PHE 600   0.076   3.271   3.629
  264    HB2  PHE 600           1HB      PHE 600  -1.855   2.458   2.495
  265    HB3  PHE 600           2HB      PHE 600  -1.264   3.917   1.737
  266    HD1  PHE 600           1HD      PHE 600  -0.358   3.902  -0.562
  267    HD2  PHE 600           2HD      PHE 600  -1.840   0.319   1.324
  268    HE1  PHE 600           1HE      PHE 600  -0.548   2.807  -2.776
  269    HE2  PHE 600           2HE      PHE 600  -2.045  -0.773  -0.886
  270    HZ   PHE 600           HZ       PHE 600  -1.400   0.469  -2.952
  271    H    CYS 601           H        CYS 601  -0.739   1.462   4.535
  272    HA   CYS 601           HA       CYS 601   0.895  -0.974   4.488
  273    HB2  CYS 601           1HB      CYS 601   0.147   0.004   6.601
  274    HB3  CYS 601           2HB      CYS 601  -1.526  -0.010   6.048
  275    H    VAL 602           H        VAL 602   0.409  -2.717   3.304
  276    HA   VAL 602           HA       VAL 602  -1.923  -2.651   1.529
  277    HB   VAL 602           HB       VAL 602  -0.971  -4.554   0.406
  278   HG11  VAL 602          1HG1      VAL 602  -0.129  -2.365  -0.174
  279   HG12  VAL 602          2HG1      VAL 602   1.098  -2.453   1.108
  280   HG13  VAL 602          3HG1      VAL 602   1.177  -3.546  -0.276
  281   HG21  VAL 602          3HG2      VAL 602   0.874  -4.733   2.794
  282   HG22  VAL 602          1HG2      VAL 602  -0.120  -5.991   2.061
  283   HG23  VAL 602          2HG2      VAL 602   1.319  -5.404   1.212
  284    H    LEU 603           H        LEU 603  -1.679  -3.748   4.648
  285    HA   LEU 603           HA       LEU 603  -3.591  -6.007   4.287
  286    HB2  LEU 603           1HB      LEU 603  -2.115  -4.941   6.696
  287    HB3  LEU 603           2HB      LEU 603  -3.299  -6.242   6.756
  288    HG   LEU 603           HG       LEU 603  -0.612  -6.309   5.321
  289   HD11  LEU 603          1HD1      LEU 603  -0.157  -8.075   7.013
  290   HD12  LEU 603          2HD1      LEU 603  -1.752  -7.799   7.729
  291   HD13  LEU 603          3HD1      LEU 603  -0.522  -6.517   7.772
  292   HD21  LEU 603          3HD2      LEU 603  -1.148  -8.733   4.931
  293   HD22  LEU 603          1HD2      LEU 603  -2.166  -7.645   3.992
  294   HD23  LEU 603          2HD2      LEU 603  -2.814  -8.418   5.460
  295    H    CYS 604           H        CYS 604  -3.470  -2.701   5.649
  296    HA   CYS 604           HA       CYS 604  -6.406  -2.843   6.139
  297    HB2  CYS 604           1HB      CYS 604  -6.145  -1.468   8.070
  298    HB3  CYS 604           2HB      CYS 604  -5.292  -3.002   8.239
  299    H    LEU 605           H        LEU 605  -4.205  -1.303   4.224
  300    HA   LEU 605           HA       LEU 605  -4.264   0.482   2.851
  301    HB2  LEU 605           1HB      LEU 605  -7.246   0.007   3.129
  302    HB3  LEU 605           2HB      LEU 605  -6.568   1.122   1.966
  303    HG   LEU 605           HG       LEU 605  -5.956  -1.859   2.037
  304   HD11  LEU 605          1HD1      LEU 605  -7.335  -1.946   0.007
  305   HD12  LEU 605          2HD1      LEU 605  -7.680  -0.206   0.141
  306   HD13  LEU 605          3HD1      LEU 605  -8.281  -1.338   1.374
  307   HD21  LEU 605          3HD2      LEU 605  -5.166   0.342   0.070
  308   HD22  LEU 605          1HD2      LEU 605  -5.018  -1.399  -0.259
  309   HD23  LEU 605          2HD2      LEU 605  -4.075  -0.675   1.041
  310    H    CYS 606           H        CYS 606  -3.976   1.073   5.612
  311    HA   CYS 606           HA       CYS 606  -4.775   3.963   5.676
  312    HB2  CYS 606           1HB      CYS 606  -3.785   2.108   7.888
  313    HB3  CYS 606           2HB      CYS 606  -4.130   3.830   8.084
  314    HG   CYS 606           HG       CYS 606  -6.216   1.461   7.056
  315    H    ALA 607           H        ALA 607  -2.933   5.311   6.769
  316    HA   ALA 607           HA       ALA 607  -0.632   5.346   5.104
  317    HB1  ALA 607           1HB      ALA 607   0.263   6.938   6.757
  318    HB2  ALA 607           2HB      ALA 607  -1.434   7.296   6.386
  319    HB3  ALA 607           3HB      ALA 607  -1.010   6.480   7.910
  320    H    TYR 608           H        TYR 608   1.376   4.465   5.239
  321    HA   TYR 608           HA       TYR 608   1.573   1.897   6.255
  322    HB2  TYR 608           1HB      TYR 608   2.843   2.787   4.371
  323    HB3  TYR 608           2HB      TYR 608   3.787   3.805   5.449
  324    HD1  TYR 608           2HD      TYR 608   2.868   0.198   4.865
  325    HD2  TYR 608           1HD      TYR 608   5.869   2.996   6.210
  326    HE1  TYR 608           2HE      TYR 608   4.556  -1.622   4.890
  327    HE2  TYR 608           1HE      TYR 608   7.563   1.163   6.218
  328    HH   TYR 608           HH       TYR 608   6.811  -1.995   4.778
  329    H    HIS 609           H        HIS 609   2.232   0.906   8.024
  330    HA   HIS 609           HA       HIS 609   3.514   2.449  10.225
  331    HB2  HIS 609           1HB      HIS 609   2.025   1.372  11.807
  332    HB3  HIS 609           2HB      HIS 609   1.147   2.315  10.618
  333    HD1  HIS 609           1HD      HIS 609   1.940  -1.410  11.349
  334    HD2  HIS 609           2HD      HIS 609  -0.792   1.079   9.336
  335    HE1  HIS 609           1HE      HIS 609   0.064  -2.915  10.611
  336    H    GLY 610           H        GLY 610   4.690   0.540   8.217
  337    HA2  GLY 610           1HA      GLY 610   6.450  -0.953   8.220
  338    HA3  GLY 610           2HA      GLY 610   6.772  -0.300   9.819
  339    H    SER 611           H        SER 611   7.139  -1.869  11.215
  340    HA   SER 611           HA       SER 611   6.083  -4.604  10.876
  341    HB2  SER 611           1HB      SER 611   7.660  -5.120  12.716
  342    HB3  SER 611           2HB      SER 611   8.429  -4.330  11.332
  343    HG   SER 611           HG       SER 611   9.093  -3.425  13.349
  344    H    GLU 612           H        GLU 612   4.767  -1.912  12.403
  345    HA   GLU 612           HA       GLU 612   3.748  -3.222  14.814
  346    HB2  GLU 612           1HB      GLU 612   2.805  -0.692  13.405
  347    HB3  GLU 612           2HB      GLU 612   2.273  -1.266  14.985
  348    HG2  GLU 612           1HG      GLU 612   4.643  -1.136  15.804
  349    HG3  GLU 612           2HG      GLU 612   5.110  -0.418  14.260
  350    H    ASP 613           H        ASP 613   1.453  -3.684  15.214
  351    HA   ASP 613           HA       ASP 613   0.229  -5.160  13.010
  352    HB2  ASP 613           1HB      ASP 613  -1.330  -5.945  14.686
  353    HB3  ASP 613           2HB      ASP 613   0.336  -6.165  15.201
  354    H    CYS 614           H        CYS 614  -1.789  -4.858  12.101
  355    HA   CYS 614           HA       CYS 614  -2.629  -2.184  11.628
  356    HB2  CYS 614           1HB      CYS 614  -3.939  -4.854  10.984
  357    HB3  CYS 614           2HB      CYS 614  -4.395  -3.315  10.274
  358    H    ARG 615           H        ARG 615  -4.905  -1.509  11.667
  359    HA   ARG 615           HA       ARG 615  -5.820  -1.234  14.381
  360    HB2  ARG 615           1HB      ARG 615  -7.200  -0.423  11.785
  361    HB3  ARG 615           2HB      ARG 615  -7.607   0.142  13.412
  362    HG2  ARG 615           1HG      ARG 615  -5.292   1.123  13.605
  363    HG3  ARG 615           2HG      ARG 615  -4.975   0.625  11.938
  364    HD2  ARG 615           1HD      ARG 615  -5.575   2.956  11.899
  365    HD3  ARG 615           2HD      ARG 615  -6.868   2.029  11.151
  366    HE   ARG 615           HE       ARG 615  -8.327   2.651  12.846
  367   HH11  ARG 615          1HH1      ARG 615  -5.114   3.585  13.904
  368   HH12  ARG 615          2HH1      ARG 615  -5.731   4.483  15.264
  369   HH21  ARG 615          1HH2      ARG 615  -9.034   3.804  14.601
  370   HH22  ARG 615          2HH2      ARG 615  -7.890   4.602  15.639
  371    H    ARG 616           H        ARG 616  -7.646  -1.892  15.401
  372    HA   ARG 616           HA       ARG 616  -9.423  -3.968  14.211
  373    HB2  ARG 616           1HB      ARG 616  -7.900  -4.256  16.842
  374    HB3  ARG 616           2HB      ARG 616  -9.223  -5.303  16.322
  375    HG2  ARG 616           1HG      ARG 616  -7.885  -5.977  14.310
  376    HG3  ARG 616           2HG      ARG 616  -6.551  -4.974  14.894
  377    HD2  ARG 616           1HD      ARG 616  -6.067  -7.219  15.516
  378    HD3  ARG 616           2HD      ARG 616  -6.469  -6.319  16.989
  379    HE   ARG 616           HE       ARG 616  -8.808  -7.628  15.895
  380   HH11  ARG 616          1HH1      ARG 616  -5.914  -8.419  17.704
  381   HH12  ARG 616          2HH1      ARG 616  -6.647  -9.819  18.441
  382   HH21  ARG 616          1HH2      ARG 616  -9.685  -9.417  16.880
  383   HH22  ARG 616          2HH2      ARG 616  -8.726 -10.364  17.978
  384    H    GLY 617           H        GLY 617 -11.381  -4.296  15.351
  385    HA2  GLY 617           1HA      GLY 617 -13.306  -3.676  16.485
  386    HA3  GLY 617           2HA      GLY 617 -12.321  -2.672  17.547
  Start of MODEL   18
    1    H    THR 566           1H       THR 566   5.250 -17.373 -15.823
    2    HA   THR 566           HA       THR 566   5.398 -15.558 -14.251
    3    HB   THR 566           HB       THR 566   4.061 -14.730 -16.850
    4    HG1  THR 566           1HG      THR 566   6.159 -14.820 -17.646
    5   HG21  THR 566          1HG2      THR 566   6.156 -13.358 -15.093
    6   HG22  THR 566          2HG2      THR 566   4.477 -12.815 -15.331
    7   HG23  THR 566          3HG2      THR 566   5.608 -12.791 -16.686
    8    H    ASP 567           H        ASP 567   4.386 -14.243 -12.804
    9    HA   ASP 567           HA       ASP 567   1.429 -13.885 -12.908
   10    HB2  ASP 567           1HB      ASP 567   3.033 -14.974 -10.557
   11    HB3  ASP 567           2HB      ASP 567   1.377 -14.387 -10.452
   12    H    GLU 568           H        GLU 568   0.661 -12.072 -11.759
   13    HA   GLU 568           HA       GLU 568   2.630 -10.085 -10.745
   14    HB2  GLU 568           1HB      GLU 568   0.590  -9.628 -12.960
   15    HB3  GLU 568           2HB      GLU 568   1.382  -8.324 -12.096
   16    HG2  GLU 568           1HG      GLU 568   2.781 -10.414 -13.817
   17    HG3  GLU 568           2HG      GLU 568   2.401  -8.766 -14.287
   18    H    ALA 569           H        ALA 569   1.676  -8.318  -9.566
   19    HA   ALA 569           HA       ALA 569  -1.091  -8.346  -8.762
   20    HB1  ALA 569           1HB      ALA 569   1.113  -8.916  -6.720
   21    HB2  ALA 569           2HB      ALA 569  -0.558  -8.478  -6.330
   22    HB3  ALA 569           3HB      ALA 569  -0.218 -10.020  -7.156
   23    H    LEU 570           H        LEU 570  -1.643  -6.335  -8.294
   24    HA   LEU 570           HA       LEU 570   0.106  -4.350  -7.105
   25    HB2  LEU 570           1HB      LEU 570  -1.290  -3.835  -9.762
   26    HB3  LEU 570           2HB      LEU 570  -0.569  -2.583  -8.753
   27    HG   LEU 570           HG       LEU 570   0.998  -4.865 -10.042
   28   HD11  LEU 570          1HD1      LEU 570   0.048  -3.343 -11.692
   29   HD12  LEU 570          2HD1      LEU 570   1.813  -3.190 -11.577
   30   HD13  LEU 570          3HD1      LEU 570   0.767  -1.956 -10.828
   31   HD21  LEU 570          3HD2      LEU 570   2.096  -3.876  -8.014
   32   HD22  LEU 570          1HD2      LEU 570   1.984  -2.274  -8.779
   33   HD23  LEU 570          2HD2      LEU 570   2.983  -3.551  -9.505
   34    H    LYS 571           H        LYS 571  -1.053  -2.990  -5.822
   35    HA   LYS 571           HA       LYS 571  -3.992  -3.450  -5.603
   36    HB2  LYS 571           1HB      LYS 571  -2.137  -2.356  -3.463
   37    HB3  LYS 571           2HB      LYS 571  -3.851  -2.659  -3.305
   38    HG2  LYS 571           1HG      LYS 571  -3.235  -5.133  -4.000
   39    HG3  LYS 571           2HG      LYS 571  -1.601  -4.663  -3.491
   40    HD2  LYS 571           1HD      LYS 571  -2.610  -3.927  -1.268
   41    HD3  LYS 571           2HD      LYS 571  -4.169  -4.551  -1.842
   42    HE2  LYS 571           1HE      LYS 571  -2.886  -6.777  -2.268
   43    HE3  LYS 571           2HE      LYS 571  -1.619  -6.098  -1.256
   44    HZ1  LYS 571           3HZ      LYS 571  -3.303  -5.870   0.542
   45    HZ2  LYS 571           1HZ      LYS 571  -3.176  -7.429   0.055
   46    HZ3  LYS 571           2HZ      LYS 571  -4.446  -6.528  -0.425
   47    HA   PRO 572           HA       PRO 572  -4.789   0.839  -6.609
   48    HB2  PRO 572           1HB      PRO 572  -7.193   1.241  -5.381
   49    HB3  PRO 572           2HB      PRO 572  -7.000   0.269  -6.860
   50    HG2  PRO 572           1HG      PRO 572  -7.193  -0.682  -3.986
   51    HG3  PRO 572           2HG      PRO 572  -8.032  -1.338  -5.426
   52    HD2  PRO 572           1HD      PRO 572  -5.733  -2.440  -4.387
   53    HD3  PRO 572           2HD      PRO 572  -6.100  -2.482  -6.138
   54    H    CYS 573           H        CYS 573  -4.072   2.681  -5.735
   55    HA   CYS 573           HA       CYS 573  -3.159   3.149  -3.124
   56    HB2  CYS 573           1HB      CYS 573  -2.542   4.433  -5.109
   57    HB3  CYS 573           2HB      CYS 573  -4.204   4.920  -5.351
   58    HA   PRO 574           HA       PRO 574  -7.094   3.530  -0.977
   59    HB2  PRO 574           1HB      PRO 574  -6.192   4.389   1.477
   60    HB3  PRO 574           2HB      PRO 574  -5.948   2.723   0.865
   61    HG2  PRO 574           1HG      PRO 574  -4.060   5.071   0.693
   62    HG3  PRO 574           2HG      PRO 574  -3.692   3.407   1.288
   63    HD2  PRO 574           1HD      PRO 574  -3.075   4.159  -1.204
   64    HD3  PRO 574           2HD      PRO 574  -3.716   2.517  -0.868
   65    H    ARG 575           H        ARG 575  -5.123   6.177  -1.924
   66    HA   ARG 575           HA       ARG 575  -7.135   8.233  -1.077
   67    HB2  ARG 575           1HB      ARG 575  -4.332   8.393  -2.214
   68    HB3  ARG 575           2HB      ARG 575  -5.408   9.784  -2.153
   69    HG2  ARG 575           1HG      ARG 575  -5.652   9.453   0.321
   70    HG3  ARG 575           2HG      ARG 575  -4.356   8.235   0.243
   71    HD2  ARG 575           1HD      ARG 575  -2.797   9.882  -0.643
   72    HD3  ARG 575           2HD      ARG 575  -4.086  11.081  -0.829
   73    HE   ARG 575           HE       ARG 575  -4.020  10.356   1.899
   74   HH11  ARG 575          1HH1      ARG 575  -1.882  11.981  -0.347
   75   HH12  ARG 575          2HH1      ARG 575  -1.200  13.002   0.888
   76   HH21  ARG 575          2HH2      ARG 575  -3.134  11.715   3.429
   77   HH22  ARG 575          1HH2      ARG 575  -1.885  12.836   2.977
   78    H    CYS 576           H        CYS 576  -5.523   7.091  -4.064
   79    HA   CYS 576           HA       CYS 576  -7.664   8.459  -5.634
   80    HB2  CYS 576           1HB      CYS 576  -6.070   9.263  -7.169
   81    HB3  CYS 576           2HB      CYS 576  -5.546   9.716  -5.548
   82    H    GLN 577           H        GLN 577  -6.601   5.453  -4.964
   83    HA   GLN 577           HA       GLN 577  -7.007   3.432  -5.747
   84    HB2  GLN 577           1HB      GLN 577  -9.162   4.796  -7.370
   85    HB3  GLN 577           2HB      GLN 577  -9.075   3.068  -7.068
   86    HG2  GLN 577           1HG      GLN 577  -9.245   5.052  -4.762
   87    HG3  GLN 577           2HG      GLN 577 -10.663   4.490  -5.629
   88   HE21  GLN 577          1HE2      GLN 577  -7.942   3.337  -3.560
   89   HE22  GLN 577          2HE2      GLN 577  -8.806   1.879  -3.078
   90    H    SER 578           H        SER 578  -5.191   5.231  -7.578
   91    HA   SER 578           HA       SER 578  -5.110   3.632 -10.026
   92    HB2  SER 578           1HB      SER 578  -3.422   5.807  -8.802
   93    HB3  SER 578           2HB      SER 578  -2.739   4.825 -10.094
   94    HG   SER 578           HG       SER 578  -4.482   5.380 -11.432
   95    HA   PRO 579           HA       PRO 579  -2.820   0.197  -8.479
   96    HB2  PRO 579           1HB      PRO 579  -1.319  -0.630 -10.612
   97    HB3  PRO 579           2HB      PRO 579  -3.095  -0.805 -10.530
   98    HG2  PRO 579           1HG      PRO 579  -1.493   1.414 -11.842
   99    HG3  PRO 579           2HG      PRO 579  -2.838   0.463 -12.561
  100    HD2  PRO 579           1HD      PRO 579  -3.259   2.914 -11.490
  101    HD3  PRO 579           2HD      PRO 579  -4.450   1.602 -11.235
  102    H    ALA 580           H        ALA 580  -1.531   0.787  -6.921
  103    HA   ALA 580           HA       ALA 580   0.822   2.487  -7.188
  104    HB1  ALA 580           1HB      ALA 580  -0.703   2.619  -5.257
  105    HB2  ALA 580           2HB      ALA 580  -0.436   0.898  -4.897
  106    HB3  ALA 580           3HB      ALA 580   0.882   2.049  -4.692
  107    H    LYS 581           H        LYS 581   2.973   1.866  -6.529
  108    HA   LYS 581           HA       LYS 581   3.946  -0.654  -7.580
  109    HB2  LYS 581           1HB      LYS 581   5.229   1.549  -7.463
  110    HB3  LYS 581           2HB      LYS 581   5.423   1.254  -5.718
  111    HG2  LYS 581           1HG      LYS 581   6.586  -0.868  -6.180
  112    HG3  LYS 581           2HG      LYS 581   6.350  -0.634  -7.924
  113    HD2  LYS 581           1HD      LYS 581   7.705   1.437  -7.839
  114    HD3  LYS 581           2HD      LYS 581   7.933   1.226  -6.089
  115    HE2  LYS 581           1HE      LYS 581   9.066  -0.939  -6.486
  116    HE3  LYS 581           2HE      LYS 581   8.804  -0.772  -8.228
  117    HZ1  LYS 581           3HZ      LYS 581  10.210   1.219  -8.185
  118    HZ2  LYS 581           1HZ      LYS 581  11.038  -0.059  -7.600
  119    HZ3  LYS 581           2HZ      LYS 581  10.456   1.069  -6.576
  120    H    TYR 582           H        TYR 582   3.454  -2.491  -6.634
  121    HA   TYR 582           HA       TYR 582   2.792  -2.624  -3.805
  122    HB2  TYR 582           1HB      TYR 582   1.419  -3.666  -5.606
  123    HB3  TYR 582           2HB      TYR 582   2.773  -4.718  -5.988
  124    HD1  TYR 582           2HD      TYR 582   1.669  -3.904  -2.494
  125    HD2  TYR 582           1HD      TYR 582   1.593  -6.702  -5.757
  126    HE1  TYR 582           2HE      TYR 582   0.839  -5.649  -0.955
  127    HE2  TYR 582           1HE      TYR 582   0.713  -8.478  -4.197
  128    HH   TYR 582           HH       TYR 582   0.127  -7.833  -0.725
  129    H    GLN 583           H        GLN 583   3.948  -3.483  -2.183
  130    HA   GLN 583           HA       GLN 583   6.500  -4.927  -2.752
  131    HB2  GLN 583           1HB      GLN 583   6.119  -3.015  -0.456
  132    HB3  GLN 583           2HB      GLN 583   7.609  -3.628  -1.153
  133    HG2  GLN 583           1HG      GLN 583   7.027  -2.194  -3.247
  134    HG3  GLN 583           2HG      GLN 583   5.727  -1.502  -2.283
  135   HE21  GLN 583          1HE2      GLN 583   7.428   0.299  -3.224
  136   HE22  GLN 583          2HE2      GLN 583   8.517   0.847  -1.956
  137    HA   PRO 584           HA       PRO 584   3.461  -7.336  -0.101
  138    HB2  PRO 584           1HB      PRO 584   4.010  -9.848  -1.176
  139    HB3  PRO 584           2HB      PRO 584   2.804  -8.706  -1.810
  140    HG2  PRO 584           1HG      PRO 584   5.643  -9.122  -2.753
  141    HG3  PRO 584           2HG      PRO 584   4.154  -8.977  -3.741
  142    HD2  PRO 584           1HD      PRO 584   5.806  -6.884  -3.400
  143    HD3  PRO 584           2HD      PRO 584   4.033  -6.648  -3.376
  144    H    HIS 585           H        HIS 585   6.882  -7.869  -0.724
  145    HA   HIS 585           HA       HIS 585   7.438  -9.590   1.550
  146    HB2  HIS 585           1HB      HIS 585   9.760  -9.175   0.924
  147    HB3  HIS 585           2HB      HIS 585   8.797  -9.610  -0.480
  148    HD2  HIS 585           2HD      HIS 585  11.628  -7.763  -0.201
  149    HE1  HIS 585           1HE      HIS 585   9.250  -4.967  -2.369
  150    HE2  HIS 585           2HE      HIS 585  11.624  -5.617  -1.728
  151    H    LYS 586           H        LYS 586   7.093  -6.157   1.123
  152    HA   LYS 586           HA       LYS 586   8.067  -5.594   3.909
  153    HB2  LYS 586           1HB      LYS 586   7.766  -3.773   1.485
  154    HB3  LYS 586           2HB      LYS 586   8.227  -3.234   3.104
  155    HG2  LYS 586           1HG      LYS 586  10.215  -4.707   3.050
  156    HG3  LYS 586           2HG      LYS 586   9.804  -5.207   1.399
  157    HD2  LYS 586           1HD      LYS 586   9.957  -2.862   0.634
  158    HD3  LYS 586           2HD      LYS 586  10.394  -2.338   2.265
  159    HE2  LYS 586           1HE      LYS 586  11.980  -4.334   0.575
  160    HE3  LYS 586           2HE      LYS 586  12.324  -2.603   0.652
  161    HZ1  LYS 586           3HZ      LYS 586  12.453  -4.462   2.968
  162    HZ2  LYS 586           1HZ      LYS 586  12.733  -2.851   3.045
  163    HZ3  LYS 586           2HZ      LYS 586  13.731  -3.816   2.190
  164    H    LYS 587           H        LYS 587   5.272  -6.284   2.421
  165    HA   LYS 587           HA       LYS 587   3.093  -5.663   2.423
  166    HB2  LYS 587           1HB      LYS 587   3.729  -5.357   5.388
  167    HB3  LYS 587           2HB      LYS 587   2.091  -5.357   4.749
  168    HG2  LYS 587           1HG      LYS 587   4.080  -7.653   4.500
  169    HG3  LYS 587           2HG      LYS 587   2.723  -7.560   5.624
  170    HD2  LYS 587           1HD      LYS 587   1.155  -7.408   3.653
  171    HD3  LYS 587           2HD      LYS 587   2.517  -7.690   2.573
  172    HE2  LYS 587           1HE      LYS 587   1.554  -9.601   4.731
  173    HE3  LYS 587           2HE      LYS 587   1.183  -9.706   3.012
  174    HZ1  LYS 587           3HZ      LYS 587   3.667  -9.823   2.633
  175    HZ2  LYS 587           1HZ      LYS 587   3.051 -11.128   3.419
  176    HZ3  LYS 587           2HZ      LYS 587   3.874  -9.987   4.242
  177    H    ARG 588           H        ARG 588   4.562  -3.743   1.406
  178    HA   ARG 588           HA       ARG 588   3.314  -1.174   2.325
  179    HB2  ARG 588           1HB      ARG 588   5.767  -1.534   2.832
  180    HB3  ARG 588           2HB      ARG 588   6.078  -1.549   1.111
  181    HG2  ARG 588           1HG      ARG 588   5.319   0.750   0.911
  182    HG3  ARG 588           2HG      ARG 588   4.802   0.772   2.614
  183    HD2  ARG 588           1HD      ARG 588   7.100   0.448   3.355
  184    HD3  ARG 588           2HD      ARG 588   7.650   0.199   1.716
  185    HE   ARG 588           HE       ARG 588   6.331   2.788   2.447
  186   HH11  ARG 588          1HH1      ARG 588   9.321   1.222   1.460
  187   HH12  ARG 588          2HH1      ARG 588  10.183   2.735   1.366
  188   HH21  ARG 588          1HH2      ARG 588   7.495   4.617   2.440
  189   HH22  ARG 588          2HH2      ARG 588   9.154   4.639   1.864
  190    H    GLY 589           H        GLY 589   2.657   0.294   0.772
  191    HA2  GLY 589           1HA      GLY 589   2.968  -0.430  -2.102
  192    HA3  GLY 589           2HA      GLY 589   1.360  -0.096  -1.469
  193    H    LEU 590           H        LEU 590   3.501   1.282  -3.344
  194    HA   LEU 590           HA       LEU 590   3.293   4.034  -2.177
  195    HB2  LEU 590           1HB      LEU 590   5.485   2.886  -3.940
  196    HB3  LEU 590           2HB      LEU 590   5.297   4.589  -3.525
  197    HG   LEU 590           HG       LEU 590   5.942   2.320  -1.602
  198   HD11  LEU 590          1HD1      LEU 590   7.803   3.158  -3.029
  199   HD12  LEU 590          2HD1      LEU 590   8.045   3.532  -1.312
  200   HD13  LEU 590          3HD1      LEU 590   7.503   4.803  -2.429
  201   HD21  LEU 590          3HD2      LEU 590   5.157   5.214  -1.091
  202   HD22  LEU 590          1HD2      LEU 590   6.223   4.305   0.030
  203   HD23  LEU 590          2HD2      LEU 590   4.605   3.715  -0.311
  204    H    CYS 591           H        CYS 591   2.055   5.399  -3.209
  205    HA   CYS 591           HA       CYS 591   0.543   4.690  -5.437
  206    HB2  CYS 591           1HB      CYS 591  -0.007   6.420  -3.753
  207    HB3  CYS 591           2HB      CYS 591   1.202   7.498  -4.541
  208    H    SER 592           H        SER 592   0.494   5.132  -7.541
  209    HA   SER 592           HA       SER 592   3.022   5.605  -8.973
  210    HB2  SER 592           1HB      SER 592   1.644   4.855 -10.922
  211    HB3  SER 592           2HB      SER 592   1.751   3.689  -9.600
  212    HG   SER 592           HG       SER 592  -0.344   3.747 -10.145
  213    H    ARG 593           H        ARG 593   0.369   7.530  -7.970
  214    HA   ARG 593           HA       ARG 593   0.606   9.482 -10.198
  215    HB2  ARG 593           1HB      ARG 593  -1.591   8.836  -9.630
  216    HB3  ARG 593           2HB      ARG 593  -1.337   9.078  -7.905
  217    HG2  ARG 593           1HG      ARG 593  -1.169  11.482  -8.165
  218    HG3  ARG 593           2HG      ARG 593  -1.186  11.334  -9.923
  219    HD2  ARG 593           1HD      ARG 593  -3.493  10.496  -8.097
  220    HD3  ARG 593           2HD      ARG 593  -3.351  12.087  -8.837
  221    HE   ARG 593           HE       ARG 593  -3.652  11.168 -11.013
  222   HH11  ARG 593          1HH1      ARG 593  -4.270   8.677  -8.532
  223   HH12  ARG 593          2HH1      ARG 593  -4.753   7.558  -9.774
  224   HH21  ARG 593          1HH2      ARG 593  -4.477   9.645 -12.421
  225   HH22  ARG 593          2HH2      ARG 593  -4.990   8.100 -11.792
  226    H    LEU 594           H        LEU 594   2.042  11.040 -10.070
  227    HA   LEU 594           HA       LEU 594   3.671  11.490  -7.772
  228    HB2  LEU 594           1HB      LEU 594   3.334  13.182 -10.282
  229    HB3  LEU 594           2HB      LEU 594   4.656  13.320  -9.129
  230    HG   LEU 594           HG       LEU 594   4.084  10.890 -10.882
  231   HD11  LEU 594          1HD1      LEU 594   6.316  12.961 -10.978
  232   HD12  LEU 594          2HD1      LEU 594   4.949  12.847 -12.110
  233   HD13  LEU 594          3HD1      LEU 594   6.145  11.543 -12.039
  234   HD21  LEU 594          3HD2      LEU 594   6.372  11.425  -8.937
  235   HD22  LEU 594          1HD2      LEU 594   6.314  10.094 -10.113
  236   HD23  LEU 594          2HD2      LEU 594   5.140  10.148  -8.798
  237    H    ALA 595           H        ALA 595   0.747  13.161  -8.787
  238    HA   ALA 595           HA       ALA 595   1.039  15.393  -6.947
  239    HB1  ALA 595           1HB      ALA 595  -1.391  14.309  -8.437
  240    HB2  ALA 595           2HB      ALA 595  -1.260  15.898  -7.654
  241    HB3  ALA 595           3HB      ALA 595  -0.241  15.522  -9.055
  242    H    CYS 596           H        CYS 596   0.332  12.144  -6.384
  243    HA   CYS 596           HA       CYS 596  -1.340  12.606  -3.951
  244    HB2  CYS 596           1HB      CYS 596  -2.394  11.345  -5.712
  245    HB3  CYS 596           2HB      CYS 596  -0.980  10.318  -5.905
  246    H    GLY 597           H        GLY 597   1.099  10.315  -5.179
  247    HA2  GLY 597           1HA      GLY 597   2.985   9.348  -4.268
  248    HA3  GLY 597           2HA      GLY 597   3.256  10.950  -3.570
  249    H    PHE 598           H        PHE 598   1.110   8.124  -2.885
  250    HA   PHE 598           HA       PHE 598   1.282   8.753  -0.004
  251    HB2  PHE 598           1HB      PHE 598  -0.930   8.763  -1.182
  252    HB3  PHE 598           2HB      PHE 598  -0.789   7.034  -1.450
  253    HD1  PHE 598           2HD      PHE 598  -0.545   9.611   1.317
  254    HD2  PHE 598           1HD      PHE 598  -1.707   5.618   0.227
  255    HE1  PHE 598           2HE      PHE 598  -1.521   9.285   3.581
  256    HE2  PHE 598           1HE      PHE 598  -2.692   5.301   2.511
  257    HZ   PHE 598           HZ       PHE 598  -2.653   7.117   4.148
  258    H    ASP 599           H        ASP 599   1.555   7.142   1.540
  259    HA   ASP 599           HA       ASP 599   3.010   4.692   0.647
  260    HB2  ASP 599           1HB      ASP 599   4.517   6.545   1.342
  261    HB3  ASP 599           2HB      ASP 599   3.707   6.617   2.906
  262    H    PHE 600           H        PHE 600   1.664   3.064   1.118
  263    HA   PHE 600           HA       PHE 600   0.121   3.195   3.669
  264    HB2  PHE 600           1HB      PHE 600  -1.802   2.368   2.558
  265    HB3  PHE 600           2HB      PHE 600  -1.217   3.808   1.763
  266    HD1  PHE 600           1HD      PHE 600  -0.288   3.738  -0.529
  267    HD2  PHE 600           2HD      PHE 600  -1.867   0.227   1.410
  268    HE1  PHE 600           1HE      PHE 600  -0.562   2.641  -2.729
  269    HE2  PHE 600           2HE      PHE 600  -2.140  -0.874  -0.792
  270    HZ   PHE 600           HZ       PHE 600  -1.497   0.330  -2.873
  271    H    CYS 601           H        CYS 601  -0.668   1.406   4.598
  272    HA   CYS 601           HA       CYS 601   0.953  -1.045   4.521
  273    HB2  CYS 601           1HB      CYS 601   0.246  -0.074   6.667
  274    HB3  CYS 601           2HB      CYS 601  -1.444  -0.095   6.131
  275    H    VAL 602           H        VAL 602   0.450  -2.709   3.244
  276    HA   VAL 602           HA       VAL 602  -1.927  -2.599   1.540
  277    HB   VAL 602           HB       VAL 602  -1.018  -4.496   0.369
  278   HG11  VAL 602          1HG1      VAL 602   1.116  -2.469   1.093
  279   HG12  VAL 602          2HG1      VAL 602   1.144  -3.534  -0.317
  280   HG13  VAL 602          3HG1      VAL 602  -0.121  -2.314  -0.172
  281   HG21  VAL 602          3HG2      VAL 602   0.807  -4.767   2.758
  282   HG22  VAL 602          1HG2      VAL 602  -0.189  -5.990   1.968
  283   HG23  VAL 602          2HG2      VAL 602   1.276  -5.395   1.167
  284    H    LEU 603           H        LEU 603  -1.570  -3.796   4.622
  285    HA   LEU 603           HA       LEU 603  -3.427  -6.095   4.276
  286    HB2  LEU 603           1HB      LEU 603  -1.828  -5.070   6.628
  287    HB3  LEU 603           2HB      LEU 603  -2.915  -6.451   6.700
  288    HG   LEU 603           HG       LEU 603  -0.413  -6.247   4.967
  289   HD11  LEU 603          1HD1      LEU 603   0.486  -7.955   6.498
  290   HD12  LEU 603          2HD1      LEU 603  -1.005  -7.889   7.461
  291   HD13  LEU 603          3HD1      LEU 603   0.062  -6.474   7.370
  292   HD21  LEU 603          3HD2      LEU 603  -0.791  -8.719   4.623
  293   HD22  LEU 603          1HD2      LEU 603  -2.010  -7.711   3.846
  294   HD23  LEU 603          2HD2      LEU 603  -2.386  -8.540   5.375
  295    H    CYS 604           H        CYS 604  -3.367  -2.827   5.683
  296    HA   CYS 604           HA       CYS 604  -6.278  -3.061   6.256
  297    HB2  CYS 604           1HB      CYS 604  -6.013  -1.751   8.240
  298    HB3  CYS 604           2HB      CYS 604  -5.153  -3.290   8.340
  299    H    LEU 605           H        LEU 605  -4.152  -1.439   4.363
  300    HA   LEU 605           HA       LEU 605  -4.279   0.351   3.004
  301    HB2  LEU 605           1HB      LEU 605  -7.242  -0.194   3.322
  302    HB3  LEU 605           2HB      LEU 605  -6.592   0.923   2.137
  303    HG   LEU 605           HG       LEU 605  -5.911  -2.043   2.235
  304   HD11  LEU 605          1HD1      LEU 605  -7.321  -2.192   0.230
  305   HD12  LEU 605          2HD1      LEU 605  -7.713  -0.463   0.351
  306   HD13  LEU 605          3HD1      LEU 605  -8.261  -1.598   1.607
  307   HD21  LEU 605          3HD2      LEU 605  -5.025  -1.581  -0.082
  308   HD22  LEU 605          1HD2      LEU 605  -4.082  -0.814   1.193
  309   HD23  LEU 605          2HD2      LEU 605  -5.218   0.159   0.232
  310    H    CYS 606           H        CYS 606  -3.864   1.008   5.678
  311    HA   CYS 606           HA       CYS 606  -4.739   3.882   5.702
  312    HB2  CYS 606           1HB      CYS 606  -3.709   2.107   7.966
  313    HB3  CYS 606           2HB      CYS 606  -4.079   3.831   8.106
  314    HG   CYS 606           HG       CYS 606  -6.138   1.396   7.181
  315    H    ALA 607           H        ALA 607  -2.915   5.281   6.724
  316    HA   ALA 607           HA       ALA 607  -0.604   5.271   5.075
  317    HB1  ALA 607           1HB      ALA 607  -1.415   7.258   6.295
  318    HB2  ALA 607           2HB      ALA 607  -1.001   6.486   7.844
  319    HB3  ALA 607           3HB      ALA 607   0.279   6.911   6.688
  320    H    TYR 608           H        TYR 608   1.407   4.394   5.259
  321    HA   TYR 608           HA       TYR 608   1.613   1.861   6.390
  322    HB2  TYR 608           1HB      TYR 608   2.868   2.723   4.459
  323    HB3  TYR 608           2HB      TYR 608   3.835   3.736   5.518
  324    HD1  TYR 608           2HD      TYR 608   2.849   0.139   4.951
  325    HD2  TYR 608           1HD      TYR 608   5.899   2.890   6.296
  326    HE1  TYR 608           2HE      TYR 608   4.512  -1.696   4.930
  327    HE2  TYR 608           1HE      TYR 608   7.571   1.038   6.258
  328    HH   TYR 608           HH       TYR 608   6.741  -2.105   4.805
  329    H    HIS 609           H        HIS 609   2.117   1.043   8.303
  330    HA   HIS 609           HA       HIS 609   3.078   2.881  10.423
  331    HB2  HIS 609           1HB      HIS 609   1.522   1.769  11.936
  332    HB3  HIS 609           2HB      HIS 609   0.715   2.492  10.554
  333    HD1  HIS 609           1HD      HIS 609   1.846  -1.057  11.698
  334    HD2  HIS 609           2HD      HIS 609  -0.898   0.934   9.200
  335    HE1  HIS 609           1HE      HIS 609   0.322  -2.842  10.801
  336    H    GLY 610           H        GLY 610   4.605   0.807   8.806
  337    HA2  GLY 610           1HA      GLY 610   6.458  -0.536   9.163
  338    HA3  GLY 610           2HA      GLY 610   6.677   0.502  10.566
  339    H    SER 611           H        SER 611   6.818  -0.484  12.470
  340    HA   SER 611           HA       SER 611   6.359  -3.389  12.720
  341    HB2  SER 611           1HB      SER 611   7.600  -3.100  14.843
  342    HB3  SER 611           2HB      SER 611   8.479  -2.498  13.429
  343    HG   SER 611           HG       SER 611   8.552  -1.028  15.207
  344    H    GLU 612           H        GLU 612   4.372  -0.705  13.378
  345    HA   GLU 612           HA       GLU 612   3.078  -1.789  15.789
  346    HB2  GLU 612           1HB      GLU 612   2.152   0.367  13.850
  347    HB3  GLU 612           2HB      GLU 612   1.386  -0.057  15.382
  348    HG2  GLU 612           1HG      GLU 612   3.519   0.523  16.575
  349    HG3  GLU 612           2HG      GLU 612   4.192   1.086  15.044
  350    H    ASP 613           H        ASP 613   0.727  -2.420  15.775
  351    HA   ASP 613           HA       ASP 613   0.259  -4.407  13.679
  352    HB2  ASP 613           1HB      ASP 613  -0.159  -4.833  16.116
  353    HB3  ASP 613           2HB      ASP 613  -1.520  -3.702  16.022
  354    H    CYS 614           H        CYS 614  -1.719  -4.668  12.582
  355    HA   CYS 614           HA       CYS 614  -2.742  -2.293  11.235
  356    HB2  CYS 614           1HB      CYS 614  -3.352  -5.274  11.075
  357    HB3  CYS 614           2HB      CYS 614  -4.165  -4.089  10.078
  358    H    ARG 615           H        ARG 615  -5.164  -2.297  10.790
  359    HA   ARG 615           HA       ARG 615  -6.612  -1.662  13.234
  360    HB2  ARG 615           1HB      ARG 615  -7.691  -1.950  10.398
  361    HB3  ARG 615           2HB      ARG 615  -8.440  -1.070  11.729
  362    HG2  ARG 615           1HG      ARG 615  -5.820  -0.344  10.331
  363    HG3  ARG 615           2HG      ARG 615  -7.379   0.440  10.092
  364    HD2  ARG 615           1HD      ARG 615  -7.402   1.247  12.396
  365    HD3  ARG 615           2HD      ARG 615  -5.913   0.384  12.769
  366    HE   ARG 615           HE       ARG 615  -6.202   2.837  11.134
  367   HH11  ARG 615          1HH1      ARG 615  -3.949   0.413  12.293
  368   HH12  ARG 615          2HH1      ARG 615  -2.566   1.422  11.994
  369   HH21  ARG 615          1HH2      ARG 615  -4.404   4.086  10.826
  370   HH22  ARG 615          2HH2      ARG 615  -2.823   3.448  11.167
  371    H    ARG 616           H        ARG 616  -8.141  -2.764  14.305
  372    HA   ARG 616           HA       ARG 616  -8.823  -5.570  13.495
  373    HB2  ARG 616           1HB      ARG 616  -8.039  -4.633  16.290
  374    HB3  ARG 616           2HB      ARG 616  -8.518  -6.266  15.845
  375    HG2  ARG 616           1HG      ARG 616  -5.994  -4.840  14.921
  376    HG3  ARG 616           2HG      ARG 616  -6.093  -6.070  16.173
  377    HD2  ARG 616           1HD      ARG 616  -6.805  -7.752  14.556
  378    HD3  ARG 616           2HD      ARG 616  -6.848  -6.540  13.263
  379    HE   ARG 616           HE       ARG 616  -4.229  -6.576  14.446
  380   HH11  ARG 616          1HH1      ARG 616  -6.224  -8.577  12.347
  381   HH12  ARG 616          2HH1      ARG 616  -4.841  -9.233  11.513
  382   HH21  ARG 616          2HH2      ARG 616  -2.536  -7.380  13.279
  383   HH22  ARG 616          1HH2      ARG 616  -2.806  -8.592  12.042
  384    H    GLY 617           H        GLY 617 -10.684  -6.469  14.472
  385    HA2  GLY 617           1HA      GLY 617 -12.625  -5.087  16.041
  386    HA3  GLY 617           2HA      GLY 617 -13.031  -4.866  14.338
  Start of MODEL   19
    1    H    THR 566           1H       THR 566  -7.633  -5.721 -14.226
    2    HA   THR 566           HA       THR 566  -5.268  -5.440 -14.289
    3    HB   THR 566           HB       THR 566  -5.529  -4.611 -11.379
    4    HG1  THR 566           1HG      THR 566  -4.922  -2.613 -12.198
    5   HG21  THR 566          1HG2      THR 566  -3.364  -5.695 -11.759
    6   HG22  THR 566          2HG2      THR 566  -3.130  -3.949 -11.665
    7   HG23  THR 566          3HG2      THR 566  -3.117  -4.748 -13.252
    8    H    ASP 567           H        ASP 567  -4.440  -7.446 -14.353
    9    HA   ASP 567           HA       ASP 567  -5.390  -9.479 -12.395
   10    HB2  ASP 567           1HB      ASP 567  -5.854  -9.738 -14.857
   11    HB3  ASP 567           2HB      ASP 567  -4.116  -9.872 -15.121
   12    H    GLU 568           H        GLU 568  -2.801  -7.556 -12.722
   13    HA   GLU 568           HA       GLU 568  -0.668  -9.409 -11.841
   14    HB2  GLU 568           1HB      GLU 568  -0.737  -6.370 -12.074
   15    HB3  GLU 568           2HB      GLU 568   0.682  -7.324 -11.667
   16    HG2  GLU 568           1HG      GLU 568  -0.829  -7.352 -14.310
   17    HG3  GLU 568           2HG      GLU 568   0.746  -6.638 -14.003
   18    H    ALA 569           H        ALA 569   0.527  -8.966  -9.806
   19    HA   ALA 569           HA       ALA 569  -1.243  -8.494  -7.503
   20    HB1  ALA 569           1HB      ALA 569   0.429 -10.271  -7.372
   21    HB2  ALA 569           2HB      ALA 569   1.733  -9.086  -7.675
   22    HB3  ALA 569           3HB      ALA 569   0.762  -8.973  -6.197
   23    H    LEU 570           H        LEU 570  -1.844  -6.384  -7.953
   24    HA   LEU 570           HA       LEU 570  -0.093  -4.276  -6.897
   25    HB2  LEU 570           1HB      LEU 570  -1.375  -4.105  -9.657
   26    HB3  LEU 570           2HB      LEU 570  -0.667  -2.740  -8.800
   27    HG   LEU 570           HG       LEU 570   0.909  -5.213  -9.664
   28   HD11  LEU 570          1HD1      LEU 570   1.853  -3.844 -11.368
   29   HD12  LEU 570          2HD1      LEU 570   0.797  -2.478 -10.909
   30   HD13  LEU 570          3HD1      LEU 570   0.094  -3.981 -11.577
   31   HD21  LEU 570          3HD2      LEU 570   1.927  -3.947  -7.763
   32   HD22  LEU 570          1HD2      LEU 570   1.861  -2.467  -8.745
   33   HD23  LEU 570          2HD2      LEU 570   2.886  -3.839  -9.236
   34    H    LYS 571           H        LYS 571  -1.239  -3.052  -5.559
   35    HA   LYS 571           HA       LYS 571  -4.178  -3.447  -5.447
   36    HB2  LYS 571           1HB      LYS 571  -2.274  -2.411  -3.324
   37    HB3  LYS 571           2HB      LYS 571  -4.000  -2.625  -3.116
   38    HG2  LYS 571           1HG      LYS 571  -3.762  -5.063  -3.627
   39    HG3  LYS 571           2HG      LYS 571  -1.999  -4.854  -3.691
   40    HD2  LYS 571           1HD      LYS 571  -2.016  -4.005  -1.365
   41    HD3  LYS 571           2HD      LYS 571  -3.761  -4.259  -1.262
   42    HE2  LYS 571           1HE      LYS 571  -1.704  -6.454  -1.806
   43    HE3  LYS 571           2HE      LYS 571  -2.361  -6.071  -0.209
   44    HZ1  LYS 571           3HZ      LYS 571  -3.566  -7.904  -1.208
   45    HZ2  LYS 571           1HZ      LYS 571  -3.977  -7.019  -2.514
   46    HZ3  LYS 571           2HZ      LYS 571  -4.576  -6.635  -1.039
   47    HA   PRO 572           HA       PRO 572  -5.000   0.814  -6.467
   48    HB2  PRO 572           1HB      PRO 572  -7.408   1.217  -5.248
   49    HB3  PRO 572           2HB      PRO 572  -7.209   0.229  -6.714
   50    HG2  PRO 572           1HG      PRO 572  -7.412  -0.684  -3.826
   51    HG3  PRO 572           2HG      PRO 572  -8.223  -1.376  -5.264
   52    HD2  PRO 572           1HD      PRO 572  -5.903  -2.413  -4.168
   53    HD3  PRO 572           2HD      PRO 572  -6.279  -2.526  -5.915
   54    H    CYS 573           H        CYS 573  -4.158   2.584  -5.622
   55    HA   CYS 573           HA       CYS 573  -3.274   3.084  -3.023
   56    HB2  CYS 573           1HB      CYS 573  -2.531   4.254  -4.988
   57    HB3  CYS 573           2HB      CYS 573  -4.158   4.799  -5.352
   58    HA   PRO 574           HA       PRO 574  -7.175   3.725  -0.922
   59    HB2  PRO 574           1HB      PRO 574  -6.261   4.587   1.520
   60    HB3  PRO 574           2HB      PRO 574  -6.063   2.908   0.930
   61    HG2  PRO 574           1HG      PRO 574  -4.099   5.194   0.741
   62    HG3  PRO 574           2HG      PRO 574  -3.786   3.530   1.368
   63    HD2  PRO 574           1HD      PRO 574  -3.137   4.218  -1.139
   64    HD3  PRO 574           2HD      PRO 574  -3.824   2.602  -0.772
   65    H    ARG 575           H        ARG 575  -5.120   6.274  -1.930
   66    HA   ARG 575           HA       ARG 575  -7.046   8.431  -1.139
   67    HB2  ARG 575           1HB      ARG 575  -4.269   8.399  -2.327
   68    HB3  ARG 575           2HB      ARG 575  -5.286   9.833  -2.420
   69    HG2  ARG 575           1HG      ARG 575  -5.512   9.793   0.079
   70    HG3  ARG 575           2HG      ARG 575  -4.262   8.525   0.124
   71    HD2  ARG 575           1HD      ARG 575  -2.675  10.009  -1.008
   72    HD3  ARG 575           2HD      ARG 575  -3.922  11.236  -1.251
   73    HE   ARG 575           HE       ARG 575  -3.834  10.852   1.505
   74   HH11  ARG 575          1HH1      ARG 575  -1.456  11.874  -0.884
   75   HH12  ARG 575          2HH1      ARG 575  -0.677  12.947   0.235
   76   HH21  ARG 575          1HH2      ARG 575  -2.773  12.252   2.870
   77   HH22  ARG 575          2HH2      ARG 575  -1.390  13.139   2.305
   78    H    CYS 576           H        CYS 576  -5.554   7.116  -4.121
   79    HA   CYS 576           HA       CYS 576  -7.689   8.492  -5.697
   80    HB2  CYS 576           1HB      CYS 576  -6.077   9.097  -7.327
   81    HB3  CYS 576           2HB      CYS 576  -5.515   9.641  -5.747
   82    H    GLN 577           H        GLN 577  -6.680   5.449  -4.934
   83    HA   GLN 577           HA       GLN 577  -7.047   3.408  -5.683
   84    HB2  GLN 577           1HB      GLN 577  -9.157   4.630  -7.475
   85    HB3  GLN 577           2HB      GLN 577  -9.026   2.925  -7.076
   86    HG2  GLN 577           1HG      GLN 577  -9.440   5.049  -4.923
   87    HG3  GLN 577           2HG      GLN 577 -10.759   4.314  -5.815
   88   HE21  GLN 577          1HE2      GLN 577  -8.058   3.501  -3.540
   89   HE22  GLN 577          2HE2      GLN 577  -8.873   2.048  -2.969
   90    H    SER 578           H        SER 578  -5.198   5.271  -7.333
   91    HA   SER 578           HA       SER 578  -4.843   4.007  -9.880
   92    HB2  SER 578           1HB      SER 578  -2.716   5.321  -8.141
   93    HB3  SER 578           2HB      SER 578  -2.673   5.088  -9.895
   94    HG   SER 578           HG       SER 578  -4.101   6.902  -8.322
   95    HA   PRO 579           HA       PRO 579  -2.767   0.198  -8.575
   96    HB2  PRO 579           1HB      PRO 579  -1.151  -0.361 -10.708
   97    HB3  PRO 579           2HB      PRO 579  -2.925  -0.569 -10.742
   98    HG2  PRO 579           1HG      PRO 579  -1.301   1.801 -11.716
   99    HG3  PRO 579           2HG      PRO 579  -2.593   0.924 -12.602
  100    HD2  PRO 579           1HD      PRO 579  -3.092   3.241 -11.283
  101    HD3  PRO 579           2HD      PRO 579  -4.285   1.907 -11.254
  102    H    ALA 580           H        ALA 580  -1.552   0.667  -6.889
  103    HA   ALA 580           HA       ALA 580   0.837   2.360  -6.978
  104    HB1  ALA 580           1HB      ALA 580  -0.701   2.488  -5.105
  105    HB2  ALA 580           2HB      ALA 580  -0.513   0.744  -4.789
  106    HB3  ALA 580           3HB      ALA 580   0.848   1.843  -4.528
  107    H    LYS 581           H        LYS 581   2.950   1.713  -6.461
  108    HA   LYS 581           HA       LYS 581   3.892  -0.815  -7.515
  109    HB2  LYS 581           1HB      LYS 581   5.180   1.380  -7.462
  110    HB3  LYS 581           2HB      LYS 581   5.401   1.130  -5.716
  111    HG2  LYS 581           1HG      LYS 581   6.566  -1.001  -6.146
  112    HG3  LYS 581           2HG      LYS 581   6.304  -0.806  -7.891
  113    HD2  LYS 581           1HD      LYS 581   7.649   1.275  -7.870
  114    HD3  LYS 581           2HD      LYS 581   7.906   1.099  -6.119
  115    HE2  LYS 581           1HE      LYS 581   9.042  -1.070  -6.495
  116    HE3  LYS 581           2HE      LYS 581   8.754  -0.933  -8.235
  117    HZ1  LYS 581           3HZ      LYS 581  10.993  -0.199  -7.652
  118    HZ2  LYS 581           1HZ      LYS 581  10.420   0.942  -6.636
  119    HZ3  LYS 581           2HZ      LYS 581  10.151   1.065  -8.245
  120    H    TYR 582           H        TYR 582   3.410  -2.638  -6.541
  121    HA   TYR 582           HA       TYR 582   2.841  -2.784  -3.699
  122    HB2  TYR 582           1HB      TYR 582   1.516  -3.952  -5.504
  123    HB3  TYR 582           2HB      TYR 582   2.933  -4.925  -5.834
  124    HD1  TYR 582           2HD      TYR 582   1.581  -3.999  -2.447
  125    HD2  TYR 582           1HD      TYR 582   2.073  -7.020  -5.470
  126    HE1  TYR 582           2HE      TYR 582   0.862  -5.716  -0.822
  127    HE2  TYR 582           1HE      TYR 582   1.244  -8.760  -3.854
  128    HH   TYR 582           HH       TYR 582   0.377  -7.946  -0.470
  129    H    GLN 583           H        GLN 583   4.069  -3.607  -2.092
  130    HA   GLN 583           HA       GLN 583   6.696  -4.887  -2.739
  131    HB2  GLN 583           1HB      GLN 583   6.195  -3.040  -0.409
  132    HB3  GLN 583           2HB      GLN 583   7.725  -3.611  -1.056
  133    HG2  GLN 583           1HG      GLN 583   7.115  -2.226  -3.198
  134    HG3  GLN 583           2HG      GLN 583   5.833  -1.518  -2.221
  135   HE21  GLN 583          1HE2      GLN 583   7.439   0.316  -3.155
  136   HE22  GLN 583          2HE2      GLN 583   8.600   0.845  -1.943
  137    HA   PRO 584           HA       PRO 584   3.893  -7.577  -0.113
  138    HB2  PRO 584           1HB      PRO 584   4.568 -10.010  -1.257
  139    HB3  PRO 584           2HB      PRO 584   3.305  -8.917  -1.876
  140    HG2  PRO 584           1HG      PRO 584   6.185  -9.139  -2.795
  141    HG3  PRO 584           2HG      PRO 584   4.700  -9.098  -3.801
  142    HD2  PRO 584           1HD      PRO 584   6.180  -6.885  -3.419
  143    HD3  PRO 584           2HD      PRO 584   4.394  -6.784  -3.405
  144    H    HIS 585           H        HIS 585   7.334  -7.825  -0.829
  145    HA   HIS 585           HA       HIS 585   8.078  -9.562   1.373
  146    HB2  HIS 585           1HB      HIS 585  10.344  -8.930   0.736
  147    HB3  HIS 585           2HB      HIS 585   9.399  -9.381  -0.675
  148    HD2  HIS 585           2HD      HIS 585  12.062  -7.276  -0.270
  149    HE1  HIS 585           1HE      HIS 585   9.449  -4.667  -2.401
  150    HE2  HIS 585           2HE      HIS 585  11.865  -5.091  -1.728
  151    H    LYS 586           H        LYS 586   7.333  -6.189   1.158
  152    HA   LYS 586           HA       LYS 586   8.356  -5.685   3.944
  153    HB2  LYS 586           1HB      LYS 586   7.956  -3.779   1.600
  154    HB3  LYS 586           2HB      LYS 586   8.373  -3.282   3.245
  155    HG2  LYS 586           1HG      LYS 586  10.443  -4.637   3.153
  156    HG3  LYS 586           2HG      LYS 586  10.071  -5.101   1.483
  157    HD2  LYS 586           1HD      LYS 586  10.108  -2.730   0.797
  158    HD3  LYS 586           2HD      LYS 586  10.506  -2.239   2.449
  159    HE2  LYS 586           1HE      LYS 586  12.206  -4.095   0.714
  160    HE3  LYS 586           2HE      LYS 586  12.459  -2.353   0.846
  161    HZ1  LYS 586           3HZ      LYS 586  12.666  -4.270   3.106
  162    HZ2  LYS 586           1HZ      LYS 586  12.862  -2.651   3.234
  163    HZ3  LYS 586           2HZ      LYS 586  13.914  -3.537   2.361
  164    H    LYS 587           H        LYS 587   5.537  -6.171   2.215
  165    HA   LYS 587           HA       LYS 587   3.355  -5.646   2.365
  166    HB2  LYS 587           1HB      LYS 587   4.063  -5.770   5.308
  167    HB3  LYS 587           2HB      LYS 587   2.420  -5.391   4.781
  168    HG2  LYS 587           1HG      LYS 587   2.327  -7.439   3.425
  169    HG3  LYS 587           2HG      LYS 587   3.973  -7.871   3.931
  170    HD2  LYS 587           1HD      LYS 587   3.275  -8.174   6.226
  171    HD3  LYS 587           2HD      LYS 587   1.721  -7.394   5.916
  172    HE2  LYS 587           1HE      LYS 587   1.340  -9.767   6.057
  173    HE3  LYS 587           2HE      LYS 587   1.055  -9.230   4.401
  174    HZ1  LYS 587           3HZ      LYS 587   2.371 -11.286   4.483
  175    HZ2  LYS 587           1HZ      LYS 587   3.539 -10.569   5.365
  176    HZ3  LYS 587           2HZ      LYS 587   3.274 -10.100   3.820
  177    H    ARG 588           H        ARG 588   4.693  -3.732   1.367
  178    HA   ARG 588           HA       ARG 588   3.496  -1.178   2.395
  179    HB2  ARG 588           1HB      ARG 588   5.985  -1.477   2.802
  180    HB3  ARG 588           2HB      ARG 588   6.221  -1.462   1.065
  181    HG2  ARG 588           1HG      ARG 588   5.290   0.834   0.969
  182    HG3  ARG 588           2HG      ARG 588   5.014   0.792   2.715
  183    HD2  ARG 588           1HD      ARG 588   7.516   0.365   2.966
  184    HD3  ARG 588           2HD      ARG 588   7.674   0.613   1.230
  185    HE   ARG 588           HE       ARG 588   6.274   2.823   2.466
  186   HH11  ARG 588          1HH1      ARG 588   9.540   1.602   2.003
  187   HH12  ARG 588          2HH1      ARG 588  10.263   3.145   2.370
  188   HH21  ARG 588          1HH2      ARG 588   7.252   4.694   3.033
  189   HH22  ARG 588          2HH2      ARG 588   8.992   4.877   2.905
  190    H    GLY 589           H        GLY 589   2.761   0.286   0.842
  191    HA2  GLY 589           1HA      GLY 589   2.951  -0.484  -2.036
  192    HA3  GLY 589           2HA      GLY 589   1.375  -0.165  -1.318
  193    H    LEU 590           H        LEU 590   3.471   1.203  -3.304
  194    HA   LEU 590           HA       LEU 590   3.246   3.983  -2.205
  195    HB2  LEU 590           1HB      LEU 590   5.422   2.787  -3.959
  196    HB3  LEU 590           2HB      LEU 590   5.251   4.498  -3.587
  197    HG   LEU 590           HG       LEU 590   5.895   2.277  -1.610
  198   HD11  LEU 590          1HD1      LEU 590   7.748   3.057  -3.084
  199   HD12  LEU 590          2HD1      LEU 590   8.016   3.473  -1.381
  200   HD13  LEU 590          3HD1      LEU 590   7.473   4.721  -2.526
  201   HD21  LEU 590          3HD2      LEU 590   6.209   4.261  -0.015
  202   HD22  LEU 590          1HD2      LEU 590   4.563   3.762  -0.375
  203   HD23  LEU 590          2HD2      LEU 590   5.213   5.213  -1.166
  204    H    CYS 591           H        CYS 591   2.055   5.372  -3.285
  205    HA   CYS 591           HA       CYS 591   0.576   4.638  -5.568
  206    HB2  CYS 591           1HB      CYS 591  -0.012   6.341  -3.828
  207    HB3  CYS 591           2HB      CYS 591   1.172   7.439  -4.605
  208    H    SER 592           H        SER 592   0.589   5.240  -7.681
  209    HA   SER 592           HA       SER 592   3.210   5.871  -8.928
  210    HB2  SER 592           1HB      SER 592   1.790   3.894  -9.623
  211    HB3  SER 592           2HB      SER 592   0.632   5.048 -10.305
  212    HG   SER 592           HG       SER 592   2.407   5.854 -11.603
  213    H    ARG 593           H        ARG 593   0.376   7.584  -8.008
  214    HA   ARG 593           HA       ARG 593   0.472   9.557 -10.209
  215    HB2  ARG 593           1HB      ARG 593  -1.649   8.715  -9.448
  216    HB3  ARG 593           2HB      ARG 593  -1.325   9.174  -7.784
  217    HG2  ARG 593           1HG      ARG 593  -1.308  11.573  -8.419
  218    HG3  ARG 593           2HG      ARG 593  -1.578  11.114 -10.092
  219    HD2  ARG 593           1HD      ARG 593  -3.461  10.825  -7.719
  220    HD3  ARG 593           2HD      ARG 593  -3.706  11.824  -9.142
  221    HE   ARG 593           HE       ARG 593  -4.137   8.927  -8.809
  222   HH11  ARG 593          1HH1      ARG 593  -4.153  11.528 -11.167
  223   HH12  ARG 593          2HH1      ARG 593  -4.894  10.530 -12.388
  224   HH21  ARG 593          1HH2      ARG 593  -4.869   7.688 -10.440
  225   HH22  ARG 593          2HH2      ARG 593  -5.358   8.403 -11.962
  226    H    LEU 594           H        LEU 594   1.817  11.217 -10.145
  227    HA   LEU 594           HA       LEU 594   3.536  11.717  -7.935
  228    HB2  LEU 594           1HB      LEU 594   2.979  13.439 -10.385
  229    HB3  LEU 594           2HB      LEU 594   4.352  13.624  -9.300
  230    HG   LEU 594           HG       LEU 594   3.808  11.199 -11.071
  231   HD11  LEU 594          1HD1      LEU 594   5.929  13.380 -11.237
  232   HD12  LEU 594          2HD1      LEU 594   4.512  13.220 -12.300
  233   HD13  LEU 594          3HD1      LEU 594   5.772  11.977 -12.317
  234   HD21  LEU 594          3HD2      LEU 594   5.008  10.470  -9.062
  235   HD22  LEU 594          1HD2      LEU 594   6.165  11.812  -9.232
  236   HD23  LEU 594          2HD2      LEU 594   6.115  10.504 -10.434
  237    H    ALA 595           H        ALA 595   0.519  13.344  -8.801
  238    HA   ALA 595           HA       ALA 595   0.824  15.504  -6.877
  239    HB1  ALA 595           1HB      ALA 595  -1.633  14.419  -8.324
  240    HB2  ALA 595           2HB      ALA 595  -1.515  15.974  -7.473
  241    HB3  ALA 595           3HB      ALA 595  -0.541  15.691  -8.926
  242    H    CYS 596           H        CYS 596  -0.094  12.195  -6.575
  243    HA   CYS 596           HA       CYS 596  -1.638  12.528  -4.064
  244    HB2  CYS 596           1HB      CYS 596  -2.541  11.204  -5.859
  245    HB3  CYS 596           2HB      CYS 596  -1.049  10.264  -5.980
  246    H    GLY 597           H        GLY 597   1.008  10.472  -5.262
  247    HA2  GLY 597           1HA      GLY 597   2.898   9.558  -4.294
  248    HA3  GLY 597           2HA      GLY 597   3.071  11.167  -3.591
  249    H    PHE 598           H        PHE 598   1.176   8.151  -2.972
  250    HA   PHE 598           HA       PHE 598   1.260   8.765  -0.073
  251    HB2  PHE 598           1HB      PHE 598  -0.945   8.748  -1.301
  252    HB3  PHE 598           2HB      PHE 598  -0.773   7.016  -1.514
  253    HD1  PHE 598           2HD      PHE 598  -0.585   9.678   1.169
  254    HD2  PHE 598           1HD      PHE 598  -1.677   5.633   0.205
  255    HE1  PHE 598           2HE      PHE 598  -1.536   9.399   3.451
  256    HE2  PHE 598           1HE      PHE 598  -2.619   5.359   2.512
  257    HZ   PHE 598           HZ       PHE 598  -2.586   7.211   4.100
  258    H    ASP 599           H        ASP 599   1.386   7.069   1.431
  259    HA   ASP 599           HA       ASP 599   2.905   4.652   0.576
  260    HB2  ASP 599           1HB      ASP 599   4.478   6.430   1.213
  261    HB3  ASP 599           2HB      ASP 599   3.613   6.689   2.728
  262    H    PHE 600           H        PHE 600   1.566   3.036   1.101
  263    HA   PHE 600           HA       PHE 600   0.059   3.211   3.669
  264    HB2  PHE 600           1HB      PHE 600  -1.883   2.379   2.585
  265    HB3  PHE 600           2HB      PHE 600  -1.292   3.796   1.760
  266    HD1  PHE 600           1HD      PHE 600  -0.444   3.729  -0.527
  267    HD2  PHE 600           2HD      PHE 600  -1.836   0.169   1.462
  268    HE1  PHE 600           1HE      PHE 600  -0.701   2.607  -2.709
  269    HE2  PHE 600           2HE      PHE 600  -2.067  -0.971  -0.731
  270    HZ   PHE 600           HZ       PHE 600  -1.524   0.249  -2.823
  271    H    CYS 601           H        CYS 601  -0.729   1.417   4.623
  272    HA   CYS 601           HA       CYS 601   0.924  -1.008   4.579
  273    HB2  CYS 601           1HB      CYS 601   0.176  -0.030   6.694
  274    HB3  CYS 601           2HB      CYS 601  -1.507  -0.086   6.152
  275    H    VAL 602           H        VAL 602   0.472  -2.715   3.368
  276    HA   VAL 602           HA       VAL 602  -1.798  -2.671   1.553
  277    HB   VAL 602           HB       VAL 602  -0.816  -4.627   0.516
  278   HG11  VAL 602          1HG1      VAL 602   1.356  -3.636  -0.129
  279   HG12  VAL 602          2HG1      VAL 602   0.073  -2.424  -0.071
  280   HG13  VAL 602          3HG1      VAL 602   1.258  -2.529   1.245
  281   HG21  VAL 602          3HG2      VAL 602  -0.029  -5.944   2.364
  282   HG22  VAL 602          1HG2      VAL 602   1.376  -5.521   1.372
  283   HG23  VAL 602          2HG2      VAL 602   1.068  -4.662   2.892
  284    H    LEU 603           H        LEU 603  -1.657  -3.787   4.691
  285    HA   LEU 603           HA       LEU 603  -3.644  -5.971   4.264
  286    HB2  LEU 603           1HB      LEU 603  -2.138  -5.067   6.723
  287    HB3  LEU 603           2HB      LEU 603  -3.344  -6.348   6.698
  288    HG   LEU 603           HG       LEU 603  -0.635  -6.378   5.306
  289   HD11  LEU 603          1HD1      LEU 603  -1.853  -8.012   7.580
  290   HD12  LEU 603          2HD1      LEU 603  -0.604  -6.761   7.739
  291   HD13  LEU 603          3HD1      LEU 603  -0.247  -8.271   6.883
  292   HD21  LEU 603          3HD2      LEU 603  -2.186  -7.587   3.857
  293   HD22  LEU 603          1HD2      LEU 603  -2.867  -8.457   5.253
  294   HD23  LEU 603          2HD2      LEU 603  -1.195  -8.753   4.733
  295    H    CYS 604           H        CYS 604  -3.397  -2.746   5.822
  296    HA   CYS 604           HA       CYS 604  -6.331  -2.849   6.331
  297    HB2  CYS 604           1HB      CYS 604  -6.020  -1.513   8.284
  298    HB3  CYS 604           2HB      CYS 604  -5.221  -3.078   8.403
  299    H    LEU 605           H        LEU 605  -4.193  -1.326   4.386
  300    HA   LEU 605           HA       LEU 605  -4.290   0.446   2.990
  301    HB2  LEU 605           1HB      LEU 605  -7.251  -0.104   3.332
  302    HB3  LEU 605           2HB      LEU 605  -6.640   1.042   2.154
  303    HG   LEU 605           HG       LEU 605  -5.870  -1.902   2.189
  304   HD11  LEU 605          1HD1      LEU 605  -7.806  -0.370   0.401
  305   HD12  LEU 605          2HD1      LEU 605  -8.258  -1.549   1.654
  306   HD13  LEU 605          3HD1      LEU 605  -7.346  -2.080   0.232
  307   HD21  LEU 605          3HD2      LEU 605  -5.349   0.357   0.197
  308   HD22  LEU 605          1HD2      LEU 605  -5.089  -1.367  -0.151
  309   HD23  LEU 605          2HD2      LEU 605  -4.137  -0.576   1.102
  310    H    CYS 606           H        CYS 606  -3.901   1.134   5.678
  311    HA   CYS 606           HA       CYS 606  -4.726   4.020   5.637
  312    HB2  CYS 606           1HB      CYS 606  -3.881   2.244   7.971
  313    HB3  CYS 606           2HB      CYS 606  -4.205   3.983   8.076
  314    HG   CYS 606           HG       CYS 606  -6.271   1.598   7.039
  315    H    ALA 607           H        ALA 607  -2.914   5.378   6.766
  316    HA   ALA 607           HA       ALA 607  -0.603   5.389   5.148
  317    HB1  ALA 607           1HB      ALA 607   0.290   6.980   6.807
  318    HB2  ALA 607           2HB      ALA 607  -1.404   7.339   6.422
  319    HB3  ALA 607           3HB      ALA 607  -0.992   6.526   7.951
  320    H    TYR 608           H        TYR 608   1.349   4.448   5.231
  321    HA   TYR 608           HA       TYR 608   1.558   1.900   6.295
  322    HB2  TYR 608           1HB      TYR 608   2.742   2.703   4.339
  323    HB3  TYR 608           2HB      TYR 608   3.693   3.808   5.315
  324    HD1  TYR 608           2HD      TYR 608   2.874   0.097   5.371
  325    HD2  TYR 608           1HD      TYR 608   5.899   3.179   5.502
  326    HE1  TYR 608           2HE      TYR 608   4.656  -1.644   5.347
  327    HE2  TYR 608           1HE      TYR 608   7.670   1.442   5.446
  328    HH   TYR 608           HH       TYR 608   8.070  -0.726   4.895
  329    H    HIS 609           H        HIS 609   2.231   0.960   8.081
  330    HA   HIS 609           HA       HIS 609   3.514   2.577  10.225
  331    HB2  HIS 609           1HB      HIS 609   2.039   1.494  11.824
  332    HB3  HIS 609           2HB      HIS 609   1.131   2.355  10.594
  333    HD1  HIS 609           1HD      HIS 609   2.135  -1.313  11.387
  334    HD2  HIS 609           2HD      HIS 609  -0.774   0.992   9.409
  335    HE1  HIS 609           1HE      HIS 609   0.335  -2.936  10.692
  336    H    GLY 610           H        GLY 610   4.689   0.594   8.262
  337    HA2  GLY 610           1HA      GLY 610   6.403  -0.956   8.266
  338    HA3  GLY 610           2HA      GLY 610   6.831  -0.202   9.798
  339    H    SER 611           H        SER 611   7.220  -1.675  11.290
  340    HA   SER 611           HA       SER 611   6.174  -4.421  11.146
  341    HB2  SER 611           1HB      SER 611   8.009  -3.129  13.195
  342    HB3  SER 611           2HB      SER 611   7.724  -4.864  12.968
  343    HG   SER 611           HG       SER 611   9.646  -4.154  11.925
  344    H    GLU 612           H        GLU 612   4.768  -1.662  12.561
  345    HA   GLU 612           HA       GLU 612   3.808  -2.801  15.021
  346    HB2  GLU 612           1HB      GLU 612   4.098  -0.328  14.217
  347    HB3  GLU 612           2HB      GLU 612   2.569  -0.575  13.380
  348    HG2  GLU 612           1HG      GLU 612   2.081   0.501  15.381
  349    HG3  GLU 612           2HG      GLU 612   1.555  -1.162  15.615
  350    H    ASP 613           H        ASP 613   1.443  -3.191  15.439
  351    HA   ASP 613           HA       ASP 613   0.356  -5.027  13.432
  352    HB2  ASP 613           1HB      ASP 613  -1.198  -5.708  15.102
  353    HB3  ASP 613           2HB      ASP 613   0.420  -5.671  15.783
  354    H    CYS 614           H        CYS 614  -1.573  -4.925  12.353
  355    HA   CYS 614           HA       CYS 614  -2.572  -2.359  11.583
  356    HB2  CYS 614           1HB      CYS 614  -3.507  -5.211  11.046
  357    HB3  CYS 614           2HB      CYS 614  -4.188  -3.792  10.259
  358    H    ARG 615           H        ARG 615  -4.712  -1.610  11.608
  359    HA   ARG 615           HA       ARG 615  -6.105  -1.804  14.167
  360    HB2  ARG 615           1HB      ARG 615  -7.565  -0.123  13.337
  361    HB3  ARG 615           2HB      ARG 615  -5.885   0.319  13.052
  362    HG2  ARG 615           1HG      ARG 615  -6.108  -0.269  10.646
  363    HG3  ARG 615           2HG      ARG 615  -7.760  -0.845  10.936
  364    HD2  ARG 615           1HD      ARG 615  -7.989   1.343  10.069
  365    HD3  ARG 615           2HD      ARG 615  -8.344   1.415  11.810
  366    HE   ARG 615           HE       ARG 615  -5.564   2.017  11.252
  367   HH11  ARG 615          1HH1      ARG 615  -8.721   3.510  11.137
  368   HH12  ARG 615          2HH1      ARG 615  -8.078   5.123  11.294
  369   HH21  ARG 615          1HH2      ARG 615  -4.797   4.098  11.494
  370   HH22  ARG 615          2HH2      ARG 615  -5.904   5.438  11.488
  371    H    ARG 616           H        ARG 616  -8.259  -2.386  14.529
  372    HA   ARG 616           HA       ARG 616  -9.092  -4.834  13.187
  373    HB2  ARG 616           1HB      ARG 616  -9.226  -4.446  15.648
  374    HB3  ARG 616           2HB      ARG 616 -10.435  -3.194  15.380
  375    HG2  ARG 616           1HG      ARG 616 -11.468  -5.259  16.131
  376    HG3  ARG 616           2HG      ARG 616 -12.016  -4.877  14.499
  377    HD2  ARG 616           1HD      ARG 616 -10.461  -6.549  13.561
  378    HD3  ARG 616           2HD      ARG 616  -9.814  -6.873  15.185
  379    HE   ARG 616           HE       ARG 616 -12.630  -7.269  15.245
  380   HH11  ARG 616          1HH1      ARG 616  -9.838  -8.844  13.828
  381   HH12  ARG 616          2HH1      ARG 616 -10.612 -10.407  13.815
  382   HH21  ARG 616          1HH2      ARG 616 -13.555  -9.290  15.202
  383   HH22  ARG 616          2HH2      ARG 616 -12.662 -10.644  14.575
  384    H    GLY 617           H        GLY 617 -10.141  -1.493  13.009
  385    HA2  GLY 617           1HA      GLY 617 -11.295  -1.489  10.508
  386    HA3  GLY 617           2HA      GLY 617 -12.629  -1.975  11.555
  Start of MODEL   20
    1    H    THR 566           1H       THR 566  -4.885 -10.609 -18.114
    2    HA   THR 566           HA       THR 566  -3.195 -12.310 -17.756
    3    HB   THR 566           HB       THR 566  -0.836 -11.398 -17.384
    4    HG1  THR 566           1HG      THR 566  -0.341  -9.541 -18.515
    5   HG21  THR 566          1HG2      THR 566  -1.443 -12.807 -19.345
    6   HG22  THR 566          2HG2      THR 566  -0.185 -11.617 -19.708
    7   HG23  THR 566          3HG2      THR 566  -1.848 -11.335 -20.262
    8    H    ASP 567           H        ASP 567  -2.333 -12.701 -15.630
    9    HA   ASP 567           HA       ASP 567  -3.567 -11.006 -13.568
   10    HB2  ASP 567           1HB      ASP 567  -2.032 -13.623 -13.417
   11    HB3  ASP 567           2HB      ASP 567  -2.746 -12.794 -12.037
   12    H    GLU 568           H        GLU 568  -2.533  -9.842 -11.995
   13    HA   GLU 568           HA       GLU 568   0.425  -9.712 -11.867
   14    HB2  GLU 568           1HB      GLU 568  -1.420  -7.339 -12.385
   15    HB3  GLU 568           2HB      GLU 568   0.212  -7.160 -11.770
   16    HG2  GLU 568           1HG      GLU 568  -0.541  -8.364 -14.464
   17    HG3  GLU 568           2HG      GLU 568   0.059  -6.738 -14.181
   18    H    ALA 569           H        ALA 569   1.238  -8.894  -9.919
   19    HA   ALA 569           HA       ALA 569  -0.647  -8.772  -7.613
   20    HB1  ALA 569           1HB      ALA 569   1.182 -10.369  -7.346
   21    HB2  ALA 569           2HB      ALA 569   2.377  -9.095  -7.715
   22    HB3  ALA 569           3HB      ALA 569   1.392  -8.977  -6.252
   23    H    LEU 570           H        LEU 570  -1.470  -6.733  -7.916
   24    HA   LEU 570           HA       LEU 570   0.138  -4.580  -6.855
   25    HB2  LEU 570           1HB      LEU 570  -1.406  -4.215  -9.451
   26    HB3  LEU 570           2HB      LEU 570  -0.694  -2.916  -8.505
   27    HG   LEU 570           HG       LEU 570   0.937  -5.142  -9.811
   28   HD11  LEU 570          1HD1      LEU 570   0.441  -2.303 -10.700
   29   HD12  LEU 570          2HD1      LEU 570  -0.198  -3.786 -11.463
   30   HD13  LEU 570          3HD1      LEU 570   1.551  -3.481 -11.450
   31   HD21  LEU 570          3HD2      LEU 570   2.858  -3.700  -9.423
   32   HD22  LEU 570          1HD2      LEU 570   2.061  -3.965  -7.870
   33   HD23  LEU 570          2HD2      LEU 570   1.827  -2.430  -8.736
   34    H    LYS 571           H        LYS 571  -1.127  -3.024  -5.893
   35    HA   LYS 571           HA       LYS 571  -4.032  -3.631  -5.491
   36    HB2  LYS 571           1HB      LYS 571  -2.085  -2.553  -3.424
   37    HB3  LYS 571           2HB      LYS 571  -3.814  -2.662  -3.201
   38    HG2  LYS 571           1HG      LYS 571  -3.700  -5.142  -3.558
   39    HG3  LYS 571           2HG      LYS 571  -1.926  -5.018  -3.597
   40    HD2  LYS 571           1HD      LYS 571  -1.938  -4.004  -1.351
   41    HD3  LYS 571           2HD      LYS 571  -3.697  -4.114  -1.267
   42    HE2  LYS 571           1HE      LYS 571  -1.816  -6.498  -1.558
   43    HE3  LYS 571           2HE      LYS 571  -2.459  -5.918  -0.019
   44    HZ1  LYS 571           3HZ      LYS 571  -4.112  -6.950  -2.262
   45    HZ2  LYS 571           1HZ      LYS 571  -4.702  -6.385  -0.843
   46    HZ3  LYS 571           2HZ      LYS 571  -3.792  -7.736  -0.871
   47    HA   PRO 572           HA       PRO 572  -4.775   0.666  -6.530
   48    HB2  PRO 572           1HB      PRO 572  -7.180   1.104  -5.337
   49    HB3  PRO 572           2HB      PRO 572  -6.995   0.084  -6.784
   50    HG2  PRO 572           1HG      PRO 572  -7.190  -0.771  -3.875
   51    HG3  PRO 572           2HG      PRO 572  -8.043  -1.464  -5.288
   52    HD2  PRO 572           1HD      PRO 572  -5.731  -2.547  -4.226
   53    HD3  PRO 572           2HD      PRO 572  -6.147  -2.658  -5.965
   54    H    CYS 573           H        CYS 573  -4.089   2.509  -5.671
   55    HA   CYS 573           HA       CYS 573  -3.181   2.995  -3.060
   56    HB2  CYS 573           1HB      CYS 573  -2.460   4.201  -4.995
   57    HB3  CYS 573           2HB      CYS 573  -4.096   4.666  -5.403
   58    HA   PRO 574           HA       PRO 574  -7.082   3.571  -0.932
   59    HB2  PRO 574           1HB      PRO 574  -6.162   4.491   1.489
   60    HB3  PRO 574           2HB      PRO 574  -5.932   2.807   0.919
   61    HG2  PRO 574           1HG      PRO 574  -4.028   5.139   0.678
   62    HG3  PRO 574           2HG      PRO 574  -3.668   3.493   1.328
   63    HD2  PRO 574           1HD      PRO 574  -3.058   4.162  -1.196
   64    HD3  PRO 574           2HD      PRO 574  -3.699   2.535  -0.797
   65    H    ARG 575           H        ARG 575  -5.060   6.180  -1.933
   66    HA   ARG 575           HA       ARG 575  -7.020   8.292  -1.116
   67    HB2  ARG 575           1HB      ARG 575  -4.280   8.329  -2.397
   68    HB3  ARG 575           2HB      ARG 575  -5.338   9.731  -2.454
   69    HG2  ARG 575           1HG      ARG 575  -5.470   9.706   0.046
   70    HG3  ARG 575           2HG      ARG 575  -4.197   8.459   0.057
   71    HD2  ARG 575           1HD      ARG 575  -2.675   9.955  -1.138
   72    HD3  ARG 575           2HD      ARG 575  -3.952  11.155  -1.366
   73    HE   ARG 575           HE       ARG 575  -3.768  10.829   1.393
   74   HH11  ARG 575          1HH1      ARG 575  -1.503  11.838  -1.100
   75   HH12  ARG 575          2HH1      ARG 575  -0.692  12.946  -0.038
   76   HH21  ARG 575          1HH2      ARG 575  -2.679  12.279   2.691
   77   HH22  ARG 575          2HH2      ARG 575  -1.332  13.175   2.056
   78    H    CYS 576           H        CYS 576  -5.589   6.993  -4.125
   79    HA   CYS 576           HA       CYS 576  -7.792   8.314  -5.654
   80    HB2  CYS 576           1HB      CYS 576  -6.230   9.010  -7.283
   81    HB3  CYS 576           2HB      CYS 576  -5.641   9.517  -5.692
   82    H    GLN 577           H        GLN 577  -6.637   5.297  -4.955
   83    HA   GLN 577           HA       GLN 577  -6.908   3.257  -5.754
   84    HB2  GLN 577           1HB      GLN 577  -9.082   4.393  -7.523
   85    HB3  GLN 577           2HB      GLN 577  -8.862   2.697  -7.137
   86    HG2  GLN 577           1HG      GLN 577  -9.388   4.767  -4.959
   87    HG3  GLN 577           2HG      GLN 577 -10.671   4.002  -5.879
   88   HE21  GLN 577          1HE2      GLN 577  -7.972   3.251  -3.584
   89   HE22  GLN 577          2HE2      GLN 577  -8.740   1.760  -3.047
   90    H    SER 578           H        SER 578  -5.128   5.245  -7.345
   91    HA   SER 578           HA       SER 578  -4.719   4.040  -9.919
   92    HB2  SER 578           1HB      SER 578  -2.705   5.420  -8.096
   93    HB3  SER 578           2HB      SER 578  -2.491   5.079  -9.819
   94    HG   SER 578           HG       SER 578  -4.095   6.979  -8.537
   95    HA   PRO 579           HA       PRO 579  -2.691   0.199  -8.680
   96    HB2  PRO 579           1HB      PRO 579  -1.072  -0.329 -10.811
   97    HB3  PRO 579           2HB      PRO 579  -2.853  -0.484 -10.876
   98    HG2  PRO 579           1HG      PRO 579  -1.153   1.872 -11.752
   99    HG3  PRO 579           2HG      PRO 579  -2.449   1.048 -12.684
  100    HD2  PRO 579           1HD      PRO 579  -2.928   3.329 -11.298
  101    HD3  PRO 579           2HD      PRO 579  -4.142   2.013 -11.325
  102    H    ALA 580           H        ALA 580  -1.468   0.548  -6.981
  103    HA   ALA 580           HA       ALA 580   0.910   2.273  -6.994
  104    HB1  ALA 580           1HB      ALA 580  -0.681   2.424  -5.167
  105    HB2  ALA 580           2HB      ALA 580  -0.510   0.682  -4.830
  106    HB3  ALA 580           3HB      ALA 580   0.849   1.779  -4.544
  107    H    LYS 581           H        LYS 581   2.999   1.653  -6.491
  108    HA   LYS 581           HA       LYS 581   4.055  -0.858  -7.435
  109    HB2  LYS 581           1HB      LYS 581   5.319   1.334  -7.299
  110    HB3  LYS 581           2HB      LYS 581   5.278   1.189  -5.537
  111    HG2  LYS 581           1HG      LYS 581   7.426   0.552  -6.277
  112    HG3  LYS 581           2HG      LYS 581   6.615  -0.869  -5.623
  113    HD2  LYS 581           1HD      LYS 581   6.187  -1.714  -7.900
  114    HD3  LYS 581           2HD      LYS 581   6.856  -0.217  -8.598
  115    HE2  LYS 581           1HE      LYS 581   9.029  -0.686  -7.474
  116    HE3  LYS 581           2HE      LYS 581   8.369  -2.186  -6.818
  117    HZ1  LYS 581           3HZ      LYS 581   8.077  -2.983  -9.111
  118    HZ2  LYS 581           1HZ      LYS 581   9.639  -2.594  -8.852
  119    HZ3  LYS 581           2HZ      LYS 581   8.687  -1.592  -9.718
  120    H    TYR 582           H        TYR 582   3.482  -2.699  -6.465
  121    HA   TYR 582           HA       TYR 582   2.817  -2.771  -3.644
  122    HB2  TYR 582           1HB      TYR 582   1.548  -3.934  -5.499
  123    HB3  TYR 582           2HB      TYR 582   2.911  -5.008  -5.674
  124    HD1  TYR 582           1HD      TYR 582   1.875  -4.012  -2.231
  125    HD2  TYR 582           2HD      TYR 582   1.383  -6.813  -5.450
  126    HE1  TYR 582           1HE      TYR 582   0.949  -5.653  -0.641
  127    HE2  TYR 582           2HE      TYR 582   0.423  -8.490  -3.841
  128    HH   TYR 582           HH       TYR 582  -0.202  -8.891  -1.666
  129    H    GLN 583           H        GLN 583   4.024  -3.483  -1.986
  130    HA   GLN 583           HA       GLN 583   6.541  -5.005  -2.495
  131    HB2  GLN 583           1HB      GLN 583   6.238  -2.949  -0.312
  132    HB3  GLN 583           2HB      GLN 583   7.705  -3.612  -1.012
  133    HG2  GLN 583           1HG      GLN 583   7.068  -2.265  -3.165
  134    HG3  GLN 583           2HG      GLN 583   5.813  -1.523  -2.188
  135   HE21  GLN 583          1HE2      GLN 583   7.577   0.183  -3.287
  136   HE22  GLN 583          2HE2      GLN 583   8.680   0.778  -2.053
  137    HA   PRO 584           HA       PRO 584   3.537  -7.143   0.402
  138    HB2  PRO 584           1HB      PRO 584   3.871  -9.716  -0.597
  139    HB3  PRO 584           2HB      PRO 584   2.697  -8.527  -1.203
  140    HG2  PRO 584           1HG      PRO 584   5.443  -9.152  -2.301
  141    HG3  PRO 584           2HG      PRO 584   3.909  -8.951  -3.204
  142    HD2  PRO 584           1HD      PRO 584   5.716  -6.965  -3.034
  143    HD3  PRO 584           2HD      PRO 584   3.965  -6.619  -2.954
  144    H    HIS 585           H        HIS 585   6.902  -7.787  -0.367
  145    HA   HIS 585           HA       HIS 585   7.519  -9.437   1.950
  146    HB2  HIS 585           1HB      HIS 585   9.823  -9.072   1.239
  147    HB3  HIS 585           2HB      HIS 585   8.814  -9.545  -0.121
  148    HD2  HIS 585           2HD      HIS 585  11.665  -7.655   0.103
  149    HE1  HIS 585           1HE      HIS 585   9.266  -5.016  -2.234
  150    HE2  HIS 585           2HE      HIS 585  11.643  -5.590  -1.533
  151    H    LYS 586           H        LYS 586   7.216  -6.011   1.391
  152    HA   LYS 586           HA       LYS 586   8.224  -5.361   4.145
  153    HB2  LYS 586           1HB      LYS 586   7.883  -3.614   1.668
  154    HB3  LYS 586           2HB      LYS 586   8.367  -3.025   3.263
  155    HG2  LYS 586           1HG      LYS 586  10.371  -4.482   3.217
  156    HG3  LYS 586           2HG      LYS 586   9.930  -5.037   1.590
  157    HD2  LYS 586           1HD      LYS 586  10.088  -2.730   0.733
  158    HD3  LYS 586           2HD      LYS 586  10.486  -2.138   2.363
  159    HE2  LYS 586           1HE      LYS 586  12.513  -3.581   2.381
  160    HE3  LYS 586           2HE      LYS 586  12.114  -4.170   0.764
  161    HZ1  LYS 586           3HZ      LYS 586  12.744  -1.344   1.449
  162    HZ2  LYS 586           1HZ      LYS 586  12.358  -1.873  -0.049
  163    HZ3  LYS 586           2HZ      LYS 586  13.739  -2.370   0.665
  164    H    LYS 587           H        LYS 587   5.416  -6.099   2.716
  165    HA   LYS 587           HA       LYS 587   3.236  -5.488   2.714
  166    HB2  LYS 587           1HB      LYS 587   3.893  -5.045   5.658
  167    HB3  LYS 587           2HB      LYS 587   2.251  -5.089   5.031
  168    HG2  LYS 587           1HG      LYS 587   4.252  -7.379   4.874
  169    HG3  LYS 587           2HG      LYS 587   2.907  -7.239   6.007
  170    HD2  LYS 587           1HD      LYS 587   1.316  -7.187   4.051
  171    HD3  LYS 587           2HD      LYS 587   2.666  -7.516   2.970
  172    HE2  LYS 587           1HE      LYS 587   1.726  -9.323   5.229
  173    HE3  LYS 587           2HE      LYS 587   1.352  -9.517   3.517
  174    HZ1  LYS 587           3HZ      LYS 587   4.045  -9.725   4.756
  175    HZ2  LYS 587           1HZ      LYS 587   3.835  -9.642   3.141
  176    HZ3  LYS 587           2HZ      LYS 587   3.223 -10.909   3.991
  177    H    ARG 588           H        ARG 588   4.689  -3.603   1.595
  178    HA   ARG 588           HA       ARG 588   3.457  -0.998   2.433
  179    HB2  ARG 588           1HB      ARG 588   5.928  -1.377   2.894
  180    HB3  ARG 588           2HB      ARG 588   6.196  -1.376   1.164
  181    HG2  ARG 588           1HG      ARG 588   5.485   0.931   0.999
  182    HG3  ARG 588           2HG      ARG 588   4.908   0.927   2.680
  183    HD2  ARG 588           1HD      ARG 588   7.239   0.421   3.433
  184    HD3  ARG 588           2HD      ARG 588   7.794   0.495   1.788
  185    HE   ARG 588           HE       ARG 588   6.348   2.909   2.576
  186   HH11  ARG 588          1HH1      ARG 588   9.501   1.408   2.986
  187   HH12  ARG 588          2HH1      ARG 588  10.244   2.901   3.491
  188   HH21  ARG 588          1HH2      ARG 588   7.318   4.720   3.318
  189   HH22  ARG 588          2HH2      ARG 588   9.043   4.753   3.637
  190    H    GLY 589           H        GLY 589   2.757   0.406   0.846
  191    HA2  GLY 589           1HA      GLY 589   2.978  -0.436  -2.005
  192    HA3  GLY 589           2HA      GLY 589   1.390  -0.105  -1.324
  193    H    LEU 590           H        LEU 590   3.426   1.225  -3.346
  194    HA   LEU 590           HA       LEU 590   3.247   4.024  -2.290
  195    HB2  LEU 590           1HB      LEU 590   5.386   2.816  -4.070
  196    HB3  LEU 590           2HB      LEU 590   5.245   4.517  -3.664
  197    HG   LEU 590           HG       LEU 590   5.843   2.254  -1.714
  198   HD11  LEU 590          1HD1      LEU 590   7.692   2.889  -3.247
  199   HD12  LEU 590          2HD1      LEU 590   8.038   3.324  -1.562
  200   HD13  LEU 590          3HD1      LEU 590   7.538   4.579  -2.717
  201   HD21  LEU 590          3HD2      LEU 590   6.291   4.222  -0.137
  202   HD22  LEU 590          1HD2      LEU 590   4.612   3.835  -0.473
  203   HD23  LEU 590          2HD2      LEU 590   5.343   5.232  -1.282
  204    H    CYS 591           H        CYS 591   2.008   5.379  -3.389
  205    HA   CYS 591           HA       CYS 591   0.560   4.575  -5.678
  206    HB2  CYS 591           1HB      CYS 591  -0.091   6.289  -3.964
  207    HB3  CYS 591           2HB      CYS 591   1.052   7.411  -4.759
  208    H    SER 592           H        SER 592   0.654   5.026  -7.804
  209    HA   SER 592           HA       SER 592   3.269   5.666  -9.014
  210    HB2  SER 592           1HB      SER 592   1.856   3.742  -9.737
  211    HB3  SER 592           2HB      SER 592   0.641   4.891 -10.331
  212    HG   SER 592           HG       SER 592   2.109   4.161 -11.968
  213    H    ARG 593           H        ARG 593   0.310   7.365  -8.300
  214    HA   ARG 593           HA       ARG 593   0.549   9.340 -10.464
  215    HB2  ARG 593           1HB      ARG 593  -1.620   8.563  -9.848
  216    HB3  ARG 593           2HB      ARG 593  -1.363   8.920  -8.142
  217    HG2  ARG 593           1HG      ARG 593  -1.445  11.286  -8.506
  218    HG3  ARG 593           2HG      ARG 593  -1.377  11.079 -10.265
  219    HD2  ARG 593           1HD      ARG 593  -3.574  10.041 -10.295
  220    HD3  ARG 593           2HD      ARG 593  -3.612   9.938  -8.538
  221    HE   ARG 593           HE       ARG 593  -3.778  12.467 -10.152
  222   HH11  ARG 593          1HH1      ARG 593  -4.582  10.791  -7.181
  223   HH12  ARG 593          2HH1      ARG 593  -5.422  12.175  -6.526
  224   HH21  ARG 593          1HH2      ARG 593  -4.895  14.171  -9.271
  225   HH22  ARG 593          2HH2      ARG 593  -5.614  14.019  -7.696
  226    H    LEU 594           H        LEU 594   1.869  11.002 -10.385
  227    HA   LEU 594           HA       LEU 594   3.459  11.631  -8.102
  228    HB2  LEU 594           1HB      LEU 594   3.020  13.215 -10.665
  229    HB3  LEU 594           2HB      LEU 594   4.324  13.480  -9.513
  230    HG   LEU 594           HG       LEU 594   3.924  10.963 -11.190
  231   HD11  LEU 594          1HD1      LEU 594   6.017  13.171 -11.336
  232   HD12  LEU 594          2HD1      LEU 594   4.669  12.935 -12.472
  233   HD13  LEU 594          3HD1      LEU 594   5.946  11.714 -12.356
  234   HD21  LEU 594          3HD2      LEU 594   6.198  10.340 -10.385
  235   HD22  LEU 594          1HD2      LEU 594   5.010  10.351  -9.081
  236   HD23  LEU 594          2HD2      LEU 594   6.157  11.705  -9.247
  237    H    ALA 595           H        ALA 595   0.426  13.052  -9.159
  238    HA   ALA 595           HA       ALA 595   0.539  15.349  -7.381
  239    HB1  ALA 595           1HB      ALA 595  -1.795  14.010  -8.813
  240    HB2  ALA 595           2HB      ALA 595  -1.808  15.622  -8.067
  241    HB3  ALA 595           3HB      ALA 595  -0.773  15.310  -9.473
  242    H    CYS 596           H        CYS 596   0.100  12.056  -6.741
  243    HA   CYS 596           HA       CYS 596  -1.594  12.447  -4.313
  244    HB2  CYS 596           1HB      CYS 596  -2.518  11.082  -6.080
  245    HB3  CYS 596           2HB      CYS 596  -1.047  10.119  -6.176
  246    H    GLY 597           H        GLY 597   1.021  10.318  -5.477
  247    HA2  GLY 597           1HA      GLY 597   2.927   9.448  -4.502
  248    HA3  GLY 597           2HA      GLY 597   3.109  11.081  -3.860
  249    H    PHE 598           H        PHE 598   1.219   8.091  -3.116
  250    HA   PHE 598           HA       PHE 598   1.315   8.813  -0.243
  251    HB2  PHE 598           1HB      PHE 598  -0.896   8.750  -1.444
  252    HB3  PHE 598           2HB      PHE 598  -0.718   7.014  -1.629
  253    HD1  PHE 598           1HD      PHE 598  -0.503   9.712   1.017
  254    HD2  PHE 598           2HD      PHE 598  -1.620   5.660   0.113
  255    HE1  PHE 598           1HE      PHE 598  -1.474   9.481   3.296
  256    HE2  PHE 598           2HE      PHE 598  -2.588   5.435   2.416
  257    HZ   PHE 598           HZ       PHE 598  -2.561   7.319   3.969
  258    H    ASP 599           H        ASP 599   1.488   7.174   1.321
  259    HA   ASP 599           HA       ASP 599   3.005   4.738   0.515
  260    HB2  ASP 599           1HB      ASP 599   4.582   6.526   1.075
  261    HB3  ASP 599           2HB      ASP 599   3.730   6.851   2.585
  262    H    PHE 600           H        PHE 600   1.687   3.131   1.093
  263    HA   PHE 600           HA       PHE 600   0.202   3.359   3.671
  264    HB2  PHE 600           1HB      PHE 600  -1.739   2.467   2.624
  265    HB3  PHE 600           2HB      PHE 600  -1.179   3.882   1.773
  266    HD1  PHE 600           1HD      PHE 600  -0.300   3.767  -0.521
  267    HD2  PHE 600           2HD      PHE 600  -1.754   0.267   1.531
  268    HE1  PHE 600           1HE      PHE 600  -0.580   2.612  -2.687
  269    HE2  PHE 600           2HE      PHE 600  -2.019  -0.900  -0.644
  270    HZ   PHE 600           HZ       PHE 600  -1.451   0.272  -2.758
  271    H    CYS 601           H        CYS 601  -0.551   1.596   4.689
  272    HA   CYS 601           HA       CYS 601   1.090  -0.837   4.676
  273    HB2  CYS 601           1HB      CYS 601   0.397   0.192   6.785
  274    HB3  CYS 601           2HB      CYS 601  -1.298   0.147   6.278
  275    H    VAL 602           H        VAL 602   0.600  -2.534   3.433
  276    HA   VAL 602           HA       VAL 602  -1.772  -2.493   1.736
  277    HB   VAL 602           HB       VAL 602  -0.861  -4.429   0.634
  278   HG11  VAL 602          1HG1      VAL 602   1.305  -3.490  -0.077
  279   HG12  VAL 602          2HG1      VAL 602   0.062  -2.244   0.053
  280   HG13  VAL 602          3HG1      VAL 602   1.294  -2.405   1.318
  281   HG21  VAL 602          3HG2      VAL 602  -0.043  -5.868   2.291
  282   HG22  VAL 602          1HG2      VAL 602   1.421  -5.310   1.461
  283   HG23  VAL 602          2HG2      VAL 602   0.965  -4.621   3.031
  284    H    LEU 603           H        LEU 603  -1.407  -3.611   4.854
  285    HA   LEU 603           HA       LEU 603  -3.289  -5.894   4.598
  286    HB2  LEU 603           1HB      LEU 603  -1.704  -4.784   6.923
  287    HB3  LEU 603           2HB      LEU 603  -2.783  -6.168   7.027
  288    HG   LEU 603           HG       LEU 603  -0.268  -6.005   5.308
  289   HD11  LEU 603          1HD1      LEU 603   0.190  -6.145   7.723
  290   HD12  LEU 603          2HD1      LEU 603   0.637  -7.649   6.901
  291   HD13  LEU 603          3HD1      LEU 603  -0.863  -7.569   7.852
  292   HD21  LEU 603          3HD2      LEU 603  -1.851  -7.516   4.229
  293   HD22  LEU 603          1HD2      LEU 603  -2.228  -8.297   5.784
  294   HD23  LEU 603          2HD2      LEU 603  -0.628  -8.488   5.045
  295    H    CYS 604           H        CYS 604  -3.216  -2.577   5.897
  296    HA   CYS 604           HA       CYS 604  -6.128  -2.784   6.478
  297    HB2  CYS 604           1HB      CYS 604  -5.863  -1.418   8.412
  298    HB3  CYS 604           2HB      CYS 604  -4.992  -2.944   8.565
  299    H    LEU 605           H        LEU 605  -4.026  -1.241   4.520
  300    HA   LEU 605           HA       LEU 605  -4.170   0.488   3.081
  301    HB2  LEU 605           1HB      LEU 605  -7.125  -0.057   3.472
  302    HB3  LEU 605           2HB      LEU 605  -6.513   1.029   2.240
  303    HG   LEU 605           HG       LEU 605  -5.781  -1.920   2.411
  304   HD11  LEU 605          1HD1      LEU 605  -8.158  -1.544   1.842
  305   HD12  LEU 605          2HD1      LEU 605  -7.249  -2.159   0.454
  306   HD13  LEU 605          3HD1      LEU 605  -7.675  -0.435   0.539
  307   HD21  LEU 605          3HD2      LEU 605  -5.199   0.233   0.321
  308   HD22  LEU 605          1HD2      LEU 605  -4.976  -1.512   0.054
  309   HD23  LEU 605          2HD2      LEU 605  -4.013  -0.686   1.276
  310    H    CYS 606           H        CYS 606  -3.687   1.260   5.701
  311    HA   CYS 606           HA       CYS 606  -4.592   4.122   5.638
  312    HB2  CYS 606           1HB      CYS 606  -3.640   2.428   7.992
  313    HB3  CYS 606           2HB      CYS 606  -4.064   4.147   8.066
  314    HG   CYS 606           HG       CYS 606  -6.001   1.691   6.989
  315    H    ALA 607           H        ALA 607  -2.792   5.555   6.682
  316    HA   ALA 607           HA       ALA 607  -0.484   5.526   5.048
  317    HB1  ALA 607           1HB      ALA 607   0.387   7.210   6.621
  318    HB2  ALA 607           2HB      ALA 607  -1.311   7.526   6.222
  319    HB3  ALA 607           3HB      ALA 607  -0.885   6.796   7.790
  320    H    TYR 608           H        TYR 608   1.509   4.637   5.198
  321    HA   TYR 608           HA       TYR 608   1.741   2.143   6.363
  322    HB2  TYR 608           1HB      TYR 608   2.986   2.949   4.416
  323    HB3  TYR 608           2HB      TYR 608   3.947   4.007   5.438
  324    HD1  TYR 608           2HD      TYR 608   3.017   0.392   4.966
  325    HD2  TYR 608           1HD      TYR 608   6.013   3.212   6.277
  326    HE1  TYR 608           2HE      TYR 608   4.697  -1.434   5.046
  327    HE2  TYR 608           1HE      TYR 608   7.701   1.375   6.340
  328    HH   TYR 608           HH       TYR 608   6.954  -1.801   4.947
  329    H    HIS 609           H        HIS 609   2.439   1.253   8.174
  330    HA   HIS 609           HA       HIS 609   3.634   2.958  10.301
  331    HB2  HIS 609           1HB      HIS 609   2.138   1.928  11.909
  332    HB3  HIS 609           2HB      HIS 609   1.250   2.742  10.633
  333    HD1  HIS 609           1HD      HIS 609   2.216  -0.879  11.631
  334    HD2  HIS 609           2HD      HIS 609  -0.597   1.321   9.407
  335    HE1  HIS 609           1HE      HIS 609   0.446  -2.534  10.942
  336    H    GLY 610           H        GLY 610   4.895   0.947   8.436
  337    HA2  GLY 610           1HA      GLY 610   6.655  -0.541   8.544
  338    HA3  GLY 610           2HA      GLY 610   6.969   0.207  10.105
  339    H    SER 611           H        SER 611   7.335  -1.295  11.582
  340    HA   SER 611           HA       SER 611   6.241  -4.030  11.406
  341    HB2  SER 611           1HB      SER 611   7.814  -4.460  13.270
  342    HB3  SER 611           2HB      SER 611   8.593  -3.759  11.842
  343    HG   SER 611           HG       SER 611   9.269  -2.749  13.806
  344    H    GLU 612           H        GLU 612   4.967  -1.230  12.793
  345    HA   GLU 612           HA       GLU 612   3.979  -2.308  15.280
  346    HB2  GLU 612           1HB      GLU 612   4.290   0.149  14.512
  347    HB3  GLU 612           2HB      GLU 612   2.735  -0.045  13.685
  348    HG2  GLU 612           1HG      GLU 612   1.647  -0.554  15.820
  349    HG3  GLU 612           2HG      GLU 612   3.212  -0.577  16.639
  350    H    ASP 613           H        ASP 613   1.653  -2.703  15.744
  351    HA   ASP 613           HA       ASP 613   0.524  -4.608  13.851
  352    HB2  ASP 613           1HB      ASP 613  -0.476  -3.574  16.527
  353    HB3  ASP 613           2HB      ASP 613  -1.253  -4.847  15.589
  354    H    CYS 614           H        CYS 614  -1.336  -4.511  12.658
  355    HA   CYS 614           HA       CYS 614  -2.365  -1.985  11.779
  356    HB2  CYS 614           1HB      CYS 614  -3.251  -4.873  11.357
  357    HB3  CYS 614           2HB      CYS 614  -3.983  -3.502  10.535
  358    H    ARG 615           H        ARG 615  -4.575  -1.391  11.699
  359    HA   ARG 615           HA       ARG 615  -6.008  -1.296  14.223
  360    HB2  ARG 615           1HB      ARG 615  -7.687  -0.042  12.933
  361    HB3  ARG 615           2HB      ARG 615  -6.063   0.579  12.634
  362    HG2  ARG 615           1HG      ARG 615  -5.949  -0.456  10.470
  363    HG3  ARG 615           2HG      ARG 615  -7.378  -1.452  10.777
  364    HD2  ARG 615           1HD      ARG 615  -8.759   0.644  10.885
  365    HD3  ARG 615           2HD      ARG 615  -7.321   1.556  10.407
  366    HE   ARG 615           HE       ARG 615  -7.457   0.680   8.236
  367   HH11  ARG 615          1HH1      ARG 615  -9.800  -1.091  10.204
  368   HH12  ARG 615          2HH1      ARG 615 -10.454  -1.898   8.812
  369   HH21  ARG 615          1HH2      ARG 615  -8.282  -0.473   6.578
  370   HH22  ARG 615          2HH2      ARG 615  -9.706  -1.477   6.814
  371    H    ARG 616           H        ARG 616  -8.323  -1.804  14.383
  372    HA   ARG 616           HA       ARG 616  -9.027  -4.529  13.499
  373    HB2  ARG 616           1HB      ARG 616 -10.978  -4.316  14.864
  374    HB3  ARG 616           2HB      ARG 616  -9.552  -3.825  15.775
  375    HG2  ARG 616           1HG      ARG 616 -10.137  -1.428  15.398
  376    HG3  ARG 616           2HG      ARG 616 -11.586  -1.918  14.507
  377    HD2  ARG 616           1HD      ARG 616 -10.984  -2.660  17.398
  378    HD3  ARG 616           2HD      ARG 616 -11.972  -1.288  16.908
  379    HE   ARG 616           HE       ARG 616 -13.641  -2.759  15.997
  380   HH11  ARG 616          1HH1      ARG 616 -11.283  -4.514  17.920
  381   HH12  ARG 616          2HH1      ARG 616 -12.347  -5.878  18.124
  382   HH21  ARG 616          1HH2      ARG 616 -14.928  -4.526  16.306
  383   HH22  ARG 616          2HH2      ARG 616 -14.352  -5.876  17.238
  384    H    GLY 617           H        GLY 617 -11.128  -4.963  12.504
  385    HA2  GLY 617           1HA      GLY 617 -12.853  -4.655  10.951
  386    HA3  GLY 617           2HA      GLY 617 -12.428  -2.953  10.800