*HEADER    CHAPERONE                               03-MAY-00   1EXK              
*TITLE     SOLUTION STRUCTURE OF THE CYSTEINE-RICH DOMAIN OF THE                 
*TITLE    2 ESCHERICHIA COLI CHAPERONE PROTEIN DNAJ.                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNAJ PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 131-209;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET24A;                                   
*SOURCE   7 OTHER_DETAILS: SYNTHETIC GENE BASED ON E. COLI DNAJ CRD              
*SOURCE   8 SEQUENCE                                                             
*KEYWDS    EXTENDED BETA-HAIRPIN CXXCXGXG ZINC-BINDING MOTIF                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.MARTINEZ-YAMOUT, G.B.LEGGE, O.ZHANG, P.E.WRIGHT, H.J.DYSON          
*REVDAT   1   26-JUL-00 1EXK    0                                                
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,6,4,5, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG1 CG2 HB
 &rst iat=10,14,18,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=8,22,11,12, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=26,30,34,29, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,36,27,28, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=40,45,43,44, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=42,48,46,47, &end
#
#  chirality for residue 4 atoms:  CD NZ HE2 HE3
 &rst iat=48,54,52,53, &end
#
#  chirality for residue 4 atoms:  CG CE HD2 HD3
 &rst iat=45,51,49,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=38,58,41,42, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=62,67,65,66, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=64,70,68,69, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=60,73,63,64, &end
#
#  chirality for residue 6 atoms:  CA CG2 CG1 HB
 &rst iat=77,81,85,80, &end
#
#  chirality for residue 6 atoms:  CB CD1 HG12 HG13
 &rst iat=79,88,86,87, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=75,92,78,79, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=96,101,99,100, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=98,104,102,103, &end
#
#  chirality for residue 7 atoms:  CG NE HD2 HD3
 &rst iat=101,107,105,106, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=94,116,97,98, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=120,124,128,123, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=122,131,129,130, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=118,135,121,122, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=147,141,145,146, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=144,138,142,143, &end
#
#  chirality for residue 9 atoms:  CG N HD2 HD3
 &rst iat=141,137,139,140, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=137,149,148,144, &end
#
#  chirality for residue 10 atoms:  CA CG2 OG1 HB
 &rst iat=153,157,161,156, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=151,163,154,155, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=169,174,178,173, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=165,182,168,169, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=186,191,189,190, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=188,194,192,193, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=184,197,187,188, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=201,206,204,205, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=203,209,207,208, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=199,212,202,203, &end
#
#  chirality for residue 14 atoms:  CA SG HB2 HB3
 &rst iat=216,221,219,220, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=214,222,217,218, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=226,231,229,230, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=224,234,227,228, &end
#
#  chirality for residue 16 atoms:  CA CG1 CG2 HB
 &rst iat=238,242,246,241, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=236,250,239,240, &end
#
#  chirality for residue 17 atoms:  CA SG HB2 HB3
 &rst iat=254,259,257,258, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=252,260,255,256, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=264,269,267,268, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=262,277,265,266, &end
#
#  chirality for residue 19 atoms:  N C HA2 HA3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=286,295,289,290, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=297,302,300,301, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=304,312,307,308, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=316,321,319,320, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=318,324,322,323, &end
#
#  chirality for residue 23 atoms:  CD NZ HE2 HE3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 23 atoms:  CG CE HD2 HD3
 &rst iat=321,327,325,326, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=314,334,317,318, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=346,340,344,345, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=343,337,341,342, &end
#
#  chirality for residue 24 atoms:  CG N HD2 HD3
 &rst iat=340,336,338,339, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=336,348,347,343, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=350,355,353,354, &end
#
#  chirality for residue 26 atoms:  CA CG2 OG1 HB
 &rst iat=359,363,367,362, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=357,369,360,361, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=375,381,379,380, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=371,386,374,375, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=398,392,396,397, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=395,389,393,394, &end
#
#  chirality for residue 28 atoms:  CG N HD2 HD3
 &rst iat=392,388,390,391, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=388,400,399,395, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=406,412,410,411, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=402,417,405,406, &end
#
#  chirality for residue 30 atoms:  CA CG2 OG1 HB
 &rst iat=421,425,429,424, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=419,431,422,423, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=435,440,438,439, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=433,441,436,437, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=453,447,451,452, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=450,444,448,449, &end
#
#  chirality for residue 32 atoms:  CG N HD2 HD3
 &rst iat=447,443,445,446, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=443,455,454,450, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=459,463,467,462, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=457,469,460,461, &end
#
#  chirality for residue 34 atoms:  CA SG HB2 HB3
 &rst iat=473,478,476,477, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=471,479,474,475, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=483,488,486,487, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=481,496,484,485, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=498,503,501,502, &end
#
#  chirality for residue 37 atoms:  CA OG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=505,514,508,509, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=516,521,519,520, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=525,530,528,529, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=527,533,531,532, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=523,538,526,527, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=542,546,550,545, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=540,554,543,544, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=558,563,561,562, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=560,566,564,565, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=556,571,559,560, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=575,580,578,579, &end
#
#  chirality for residue 42 atoms:  CB SD HG2 HG3
 &rst iat=577,583,581,582, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=573,590,576,577, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=596,602,600,601, &end
#
#  chirality for residue 43 atoms:  CG NE HD2 HD3
 &rst iat=599,605,603,604, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=592,614,595,596, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=618,623,621,622, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=620,626,624,625, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=616,631,619,620, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=633,638,636,637, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=640,658,643,644, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=662,667,665,666, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=660,678,663,664, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=680,688,683,684, &end
#
#  chirality for residue 49 atoms:  CA CG1 CG2 HB
 &rst iat=692,696,700,695, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=690,704,693,694, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=708,713,711,712, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=710,716,714,715, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=706,721,709,710, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=725,730,728,729, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=727,733,731,732, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=723,738,726,727, &end
#
#  chirality for residue 52 atoms:  CA CG2 OG1 HB
 &rst iat=742,746,750,745, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=740,752,743,744, &end
#
#  chirality for residue 53 atoms:  CA SG HB2 HB3
 &rst iat=756,761,759,760, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=754,762,757,758, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=774,768,772,773, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=771,765,769,770, &end
#
#  chirality for residue 54 atoms:  CG N HD2 HD3
 &rst iat=768,764,766,767, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=764,776,775,771, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=780,785,783,784, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=778,793,781,782, &end
#
#  chirality for residue 56 atoms:  CA SG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=795,803,798,799, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=807,812,810,811, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=809,815,813,814, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=805,820,808,809, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=822,827,825,826, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=831,836,834,835, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=833,839,837,838, &end
#
#  chirality for residue 59 atoms:  CG NE HD2 HD3
 &rst iat=836,842,840,841, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=829,851,832,833, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=853,858,856,857, &end
#
#  chirality for residue 61 atoms:  CA CG2 OG1 HB
 &rst iat=862,866,870,865, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=860,872,863,864, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=876,881,879,880, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=878,883,887,882, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=874,891,877,878, &end
#
#  chirality for residue 63 atoms:  CA CG2 CG1 HB
 &rst iat=895,899,903,898, &end
#
#  chirality for residue 63 atoms:  CB CD1 HG12 HG13
 &rst iat=897,906,904,905, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=893,910,896,897, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=914,919,917,918, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=916,922,920,921, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=912,932,915,916, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=936,941,939,940, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=934,944,937,938, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=956,950,954,955, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=953,947,951,952, &end
#
#  chirality for residue 66 atoms:  CG N HD2 HD3
 &rst iat=950,946,948,949, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=946,958,957,953, &end
#
#  chirality for residue 67 atoms:  CA SG HB2 HB3
 &rst iat=962,967,965,966, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=960,968,963,964, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=972,977,975,976, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=970,982,973,974, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=986,991,989,990, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=988,994,992,993, &end
#
#  chirality for residue 69 atoms:  CD NZ HE2 HE3
 &rst iat=994,1000,998,999, &end
#
#  chirality for residue 69 atoms:  CG CE HD2 HD3
 &rst iat=991,997,995,996, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=984,1004,987,988, &end
#
#  chirality for residue 70 atoms:  CA SG HB2 HB3
 &rst iat=1008,1013,1011,1012, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1006,1014,1009,1010, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1018,1023,1021,1022, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1016,1031,1019,1020, &end
#
#  chirality for residue 72 atoms:  N C HA2 HA3
 &rst iat=1033,1038,1036,1037, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1040,1055,1043,1044, &end
#
#  chirality for residue 74 atoms:  N C HA2 HA3
 &rst iat=1057,1062,1060,1061, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1066,1071,1069,1070, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1068,1074,1072,1073, &end
#
#  chirality for residue 75 atoms:  CG NE HD2 HD3
 &rst iat=1071,1077,1075,1076, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1064,1086,1067,1068, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1090,1094,1098,1093, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1088,1102,1091,1092, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1106,1111,1109,1110, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1108,1114,1112,1113, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1104,1117,1107,1108, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1121,1126,1124,1125, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1123,1129,1127,1128, &end
#
#  chirality for residue 78 atoms:  CG NE HD2 HD3
 &rst iat=1126,1132,1130,1131, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1119,1141,1122,1123, &end
#
#  chirality for residue 79 atoms:  CA OG HB2 HB3
 &rst iat=1145,1150,1148,1149, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1143,1152,1146,1147, &end
#
#  trans-omega constraint for residue 2
 &rst iat=10,8,6,3, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=26,24,22,10, &end
#
#  trans-omega constraint for residue 4
 &rst iat=40,38,36,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=62,60,58,40, &end
#
#  trans-omega constraint for residue 6
 &rst iat=77,75,73,62, &end
#
#  trans-omega constraint for residue 7
 &rst iat=96,94,92,77, &end
#
#  trans-omega constraint for residue 8
 &rst iat=120,118,116,96, &end
#
#  trans-omega constraint for residue 9
 &rst iat=147,137,135,120, &end
#
#  trans-omega constraint for residue 10
 &rst iat=153,151,149,147, &end
#
#  trans-omega constraint for residue 11
 &rst iat=167,165,163,153, &end
#
#  trans-omega constraint for residue 12
 &rst iat=186,184,182,167, &end
#
#  trans-omega constraint for residue 13
 &rst iat=201,199,197,186, &end
#
#  trans-omega constraint for residue 14
 &rst iat=216,214,212,201, &end
#
#  trans-omega constraint for residue 15
 &rst iat=226,224,222,216, &end
#
#  trans-omega constraint for residue 16
 &rst iat=238,236,234,226, &end
#
#  trans-omega constraint for residue 17
 &rst iat=254,252,250,238, &end
#
#  trans-omega constraint for residue 18
 &rst iat=264,262,260,254, &end
#
#  trans-omega constraint for residue 19
 &rst iat=281,279,277,264, &end
#
#  trans-omega constraint for residue 20
 &rst iat=288,286,284,281, &end
#
#  trans-omega constraint for residue 21
 &rst iat=299,297,295,288, &end
#
#  trans-omega constraint for residue 22
 &rst iat=306,304,302,299, &end
#
#  trans-omega constraint for residue 23
 &rst iat=316,314,312,306, &end
#
#  trans-omega constraint for residue 24
 &rst iat=346,336,334,316, &end
#
#  trans-omega constraint for residue 25
 &rst iat=352,350,348,346, &end
#
#  trans-omega constraint for residue 26
 &rst iat=359,357,355,352, &end
#
#  trans-omega constraint for residue 27
 &rst iat=373,371,369,359, &end
#
#  trans-omega constraint for residue 28
 &rst iat=398,388,386,373, &end
#
#  trans-omega constraint for residue 29
 &rst iat=404,402,400,398, &end
#
#  trans-omega constraint for residue 30
 &rst iat=421,419,417,404, &end
#
#  trans-omega constraint for residue 31
 &rst iat=435,433,431,421, &end
#
#  trans-omega constraint for residue 32
 &rst iat=453,443,441,435, &end
#
#  trans-omega constraint for residue 33
 &rst iat=459,457,455,453, &end
#
#  trans-omega constraint for residue 34
 &rst iat=473,471,469,459, &end
#
#  trans-omega constraint for residue 35
 &rst iat=483,481,479,473, &end
#
#  trans-omega constraint for residue 36
 &rst iat=500,498,496,483, &end
#
#  trans-omega constraint for residue 37
 &rst iat=507,505,503,500, &end
#
#  trans-omega constraint for residue 38
 &rst iat=518,516,514,507, &end
#
#  trans-omega constraint for residue 39
 &rst iat=525,523,521,518, &end
#
#  trans-omega constraint for residue 40
 &rst iat=542,540,538,525, &end
#
#  trans-omega constraint for residue 41
 &rst iat=558,556,554,542, &end
#
#  trans-omega constraint for residue 42
 &rst iat=575,573,571,558, &end
#
#  trans-omega constraint for residue 43
 &rst iat=594,592,590,575, &end
#
#  trans-omega constraint for residue 44
 &rst iat=618,616,614,594, &end
#
#  trans-omega constraint for residue 45
 &rst iat=635,633,631,618, &end
#
#  trans-omega constraint for residue 46
 &rst iat=642,640,638,635, &end
#
#  trans-omega constraint for residue 47
 &rst iat=662,660,658,642, &end
#
#  trans-omega constraint for residue 48
 &rst iat=682,680,678,662, &end
#
#  trans-omega constraint for residue 49
 &rst iat=692,690,688,682, &end
#
#  trans-omega constraint for residue 50
 &rst iat=708,706,704,692, &end
#
#  trans-omega constraint for residue 51
 &rst iat=725,723,721,708, &end
#
#  trans-omega constraint for residue 52
 &rst iat=742,740,738,725, &end
#
#  trans-omega constraint for residue 53
 &rst iat=756,754,752,742, &end
#
#  trans-omega constraint for residue 54
 &rst iat=774,764,762,756, &end
#
#  trans-omega constraint for residue 55
 &rst iat=780,778,776,774, &end
#
#  trans-omega constraint for residue 56
 &rst iat=797,795,793,780, &end
#
#  trans-omega constraint for residue 57
 &rst iat=807,805,803,797, &end
#
#  trans-omega constraint for residue 58
 &rst iat=824,822,820,807, &end
#
#  trans-omega constraint for residue 59
 &rst iat=831,829,827,824, &end
#
#  trans-omega constraint for residue 60
 &rst iat=855,853,851,831, &end
#
#  trans-omega constraint for residue 61
 &rst iat=862,860,858,855, &end
#
#  trans-omega constraint for residue 62
 &rst iat=876,874,872,862, &end
#
#  trans-omega constraint for residue 63
 &rst iat=895,893,891,876, &end
#
#  trans-omega constraint for residue 64
 &rst iat=914,912,910,895, &end
#
#  trans-omega constraint for residue 65
 &rst iat=936,934,932,914, &end
#
#  trans-omega constraint for residue 66
 &rst iat=956,946,944,936, &end
#
#  trans-omega constraint for residue 67
 &rst iat=962,960,958,956, &end
#
#  trans-omega constraint for residue 68
 &rst iat=972,970,968,962, &end
#
#  trans-omega constraint for residue 69
 &rst iat=986,984,982,972, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1008,1006,1004,986, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1018,1016,1014,1008, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1035,1033,1031,1018, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1042,1040,1038,1035, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1059,1057,1055,1042, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1066,1064,1062,1059, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1090,1088,1086,1066, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1106,1104,1102,1090, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1121,1119,1117,1106, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1145,1143,1141,1121, &end

# 1155 atoms read from pdb file dnaj.apdb.
# 10 THR PHI:  (9 PRO C) - (10 THR N) - (10 THR CA) - (10 THR C) -180.0 -60.0
 &rst     iat =   149,   151,   153,   163,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0,
   rk2 =  50.0, rk3 =  50.0,    &end

# 11 LEU PHI:  (10 THR C) - (11 LEU N) - (11 LEU CA) - (11 LEU C) -180.0 -60.0
 &rst     iat =   163,   165,   167,   182,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 12 GLU PHI:  (11 LEU C) - (12 GLU N) - (12 GLU CA) - (12 GLU C) -180.0 -60.0
 &rst     iat =   182,   184,   186,   197,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 26 THR PHI:  (25 GLY C) - (26 THR N) - (26 THR CA) - (26 THR C) -180.0 -60.0
 &rst     iat =   355,   357,   359,   369,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 27 GLN PHI:  (26 THR C) - (27 GLN N) - (27 GLN CA) - (27 GLN C) -180.0 -60.0
 &rst     iat =   369,   371,   373,   386,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 29 GLN PHI:  (28 PRO C) - (29 GLN N) - (29 GLN CA) - (29 GLN C) -180.0 -60.0
 &rst     iat =   400,   402,   404,   417,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 34 CYS PHI:  (33 THR C) - (34 CYS N) - (34 CYS CA) - (34 CYS C) -180.0 -60.0
 &rst     iat =   469,   471,   473,   479,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 39 GLN PHI:  (38 GLY C) - (39 GLN N) - (39 GLN CA) - (39 GLN C) -180.0 -60.0
 &rst     iat =   521,   523,   525,   538,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 40 VAL PHI:  (39 GLN C) - (40 VAL N) - (40 VAL CA) - (40 VAL C) -180.0 -60.0
 &rst     iat =   538,   540,   542,   554,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 42 MET PHI:  (41 GLN C) - (42 MET N) - (42 MET CA) - (42 MET C) -180.0 -60.0
 &rst     iat =   571,   573,   575,   590,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 47 PHE PHI:  (46 PHE C) - (47 PHE N) - (47 PHE CA) - (47 PHE C) -180.0 -60.0
 &rst     iat =   658,   660,   662,   678,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 49 VAL PHI:  (48 ALA C) - (49 VAL N) - (49 VAL CA) - (49 VAL C) -180.0 -60.0
 &rst     iat =   688,   690,   692,   704,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 51 GLN PHI:  (50 GLN C) - (51 GLN N) - (51 GLN CA) - (51 GLN C) -180.0 -60.0
 &rst     iat =   721,   723,   725,   738,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 56 CYS PHI:  (55 HIS C) - (56 CYS N) - (56 CYS CA) - (56 CYS C) -180.0 -60.0
 &rst     iat =   793,   795,   797,   803,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 62 LEU PHI:  (61 THR C) - (62 LEU N) - (62 LEU CA) - (62 LEU C) -180.0 -60.0
 &rst     iat =   872,   874,   876,   891,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 65 ASP PHI:  (64 LYS C) - (65 ASP N) - (65 ASP CA) - (65 ASP C) -180.0 -60.0
 &rst     iat =   932,   934,   936,   944,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 75 ARG PHI:  (74 GLY C) - (75 ARG N) - (75 ARG CA) - (75 ARG C) -180.0 -60.0
 &rst     iat =  1062,  1064,  1066,  1086,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 76 VAL PHI:  (75 ARG C) - (76 VAL N) - (76 VAL CA) - (76 VAL C) -180.0 -60.0
 &rst     iat =  1086,  1088,  1090,  1102,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 79 SER PHI:  (78 ARG C) - (79 SER N) - (79 SER CA) - (79 SER C) -180.0 -60.0
 &rst     iat =  1141,  1143,  1145,  1152,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 22 ALA PHI:  (21 GLY C) - (22 ALA N) - (22 ALA CA) - (22 ALA C) -180.0 -60.0
 &rst     iat =   302,   304,   306,   312,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 48 ALA PHI:  (47 PHE C) - (48 ALA N) - (48 ALA CA) - (48 ALA C) -180.0 -60.0
 &rst     iat =   678,   680,   682,   688,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 61 THR PHI:  (60 GLY C) - (61 THR N) - (61 THR CA) - (61 THR C) -180.0 -60.0
 &rst     iat =   858,   860,   862,   872,
   r1 = -190.0, r2 = -180.0, r3 = -60.0, r4 = -50.0, &end

# 10 THR PSI:  (10 THR N) - (10 THR CA) - (10 THR C) - (11 LEU N)  60.0 180.0
 &rst     iat =   151,   153,   163,   165,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 11 LEU PSI:  (11 LEU N) - (11 LEU CA) - (11 LEU C) - (12 GLU N)  60.0 180.0
 &rst     iat =   165,   167,   182,   184,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 22 ALA PSI:  (22 ALA N) - (22 ALA CA) - (22 ALA C) - (23 LYS N)  60.0 180.0
 &rst     iat =   304,   306,   312,   314,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 26 THR PSI:  (26 THR N) - (26 THR CA) - (26 THR C) - (27 GLN N)  60.0 180.0
 &rst     iat =   357,   359,   369,   371,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 27 GLN PSI:  (27 GLN N) - (27 GLN CA) - (27 GLN C) - (28 PRO N)  60.0 180.0
 &rst     iat =   371,   373,   386,   388,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 29 GLN PSI:  (29 GLN N) - (29 GLN CA) - (29 GLN C) - (30 THR N)  60.0 180.0
 &rst     iat =   402,   404,   417,   419,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 39 GLN PSI:  (39 GLN N) - (39 GLN CA) - (39 GLN C) - (40 VAL N)  60.0 180.0
 &rst     iat =   523,   525,   538,   540,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 40 VAL PSI:  (40 VAL N) - (40 VAL CA) - (40 VAL C) - (41 GLN N)  60.0 180.0
 &rst     iat =   540,   542,   554,   556,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 42 MET PSI:  (42 MET N) - (42 MET CA) - (42 MET C) - (43 ARG N)  60.0 180.0
 &rst     iat =   573,   575,   590,   592,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 47 PHE PSI:  (47 PHE N) - (47 PHE CA) - (47 PHE C) - (48 ALA N)  60.0 180.0
 &rst     iat =   660,   662,   678,   680,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 48 ALA PSI:  (48 ALA N) - (48 ALA CA) - (48 ALA C) - (49 VAL N)  60.0 180.0
 &rst     iat =   680,   682,   688,   690,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 49 VAL PSI:  (49 VAL N) - (49 VAL CA) - (49 VAL C) - (50 GLN N)  60.0 180.0
 &rst     iat =   690,   692,   704,   706,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 51 GLN PSI:  (51 GLN N) - (51 GLN CA) - (51 GLN C) - (52 THR N)  60.0 180.0
 &rst     iat =   723,   725,   738,   740,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 61 THR PSI:  (61 THR N) - (61 THR CA) - (61 THR C) - (62 LEU N)  60.0 180.0
 &rst     iat =   860,   862,   872,   874,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 62 LEU PSI:  (62 LEU N) - (62 LEU CA) - (62 LEU C) - (63 ILE N)  60.0 180.0
 &rst     iat =   874,   876,   891,   893,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 65 ASP PSI:  (65 ASP N) - (65 ASP CA) - (65 ASP C) - (66 PRO N)  60.0 180.0
 &rst     iat =   934,   936,   944,   946,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 75 ARG PSI:  (75 ARG N) - (75 ARG CA) - (75 ARG C) - (76 VAL N)  60.0 180.0
 &rst     iat =  1064,  1066,  1086,  1088,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 76 VAL PSI:  (76 VAL N) - (76 VAL CA) - (76 VAL C) - (77 GLU N)  60.0 180.0
 &rst     iat =  1088,  1090,  1102,  1104,
   r1 =  50.0, r2 =  60.0, r3 = 180.0, r4 = 190.0, &end

# 13 GLU PHI:  (12 GLU C) - (13 GLU N) - (13 GLU CA) - (13 GLU C) -90.0 -30.0
 &rst     iat =   197,   199,   201,   212,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 14 CYS PHI:  (13 GLU C) - (14 CYS N) - (14 CYS CA) - (14 CYS C) -90.0 -30.0
 &rst     iat =   212,   214,   216,   222,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 23 LYS PHI:  (22 ALA C) - (23 LYS N) - (23 LYS CA) - (23 LYS C) -90.0 -30.0
 &rst     iat =   312,   314,   316,   334,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 30 THR PHI:  (29 GLN C) - (30 THR N) - (30 THR CA) - (30 THR C) -90.0 -30.0
 &rst     iat =   417,   419,   421,   431,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 31 CYS PHI:  (30 THR C) - (31 CYS N) - (31 CYS CA) - (31 CYS C) -90.0 -30.0
 &rst     iat =   431,   433,   435,   441,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 52 THR PHI:  (51 GLN C) - (52 THR N) - (52 THR CA) - (52 THR C) -90.0 -30.0
 &rst     iat =   738,   740,   742,   752,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 53 CYS PHI:  (52 THR C) - (53 CYS N) - (53 CYS CA) - (53 CYS C) -90.0 -30.0
 &rst     iat =   752,   754,   756,   762,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 67 CYS PHI:  (66 PRO C) - (67 CYS N) - (67 CYS CA) - (67 CYS C) -90.0 -30.0
 &rst     iat =   958,   960,   962,   968,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 68 ASN PHI:  (67 CYS C) - (68 ASN N) - (68 ASN CA) - (68 ASN C) -90.0 -30.0
 &rst     iat =   968,   970,   972,   982,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 20 SER PHI:  (19 GLY C) - (20 SER N) - (20 SER CA) - (20 SER C) -90.0 -30.0
 &rst     iat =   284,   286,   288,   295,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 37 SER PHI:  (36 GLY C) - (37 SER N) - (37 SER CA) - (37 SER C) -90.0 -30.0
 &rst     iat =   503,   505,   507,   514,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 59 ARG PHI:  (58 GLY C) - (59 ARG N) - (59 ARG CA) - (59 ARG C) -90.0 -30.0
 &rst     iat =   827,   829,   831,   851,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 73 HIS PHI:  (72 GLY C) - (73 HIS N) - (73 HIS CA) - (73 HIS C) -90.0 -30.0
 &rst     iat =  1038,  1040,  1042,  1055,
   r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0, &end

# 20 SER PSI:  (20 SER N) - (20 SER CA) - (20 SER C) - (21 GLY N) -80.0  20.0
 &rst     iat =   286,   288,   295,   297,
   r1 = -90.0, r2 = -80.0, r3 =  20.0, r4 =  30.0, &end

# 37 SER PSI:  (37 SER N) - (37 SER CA) - (37 SER C) - (38 GLY N) -80.0  20.0
 &rst     iat =   505,   507,   514,   516,
   r1 = -90.0, r2 = -80.0, r3 =  20.0, r4 =  30.0, &end

# 59 ARG PSI:  (59 ARG N) - (59 ARG CA) - (59 ARG C) - (60 GLY N) -80.0  20.0
 &rst     iat =   829,   831,   851,   853,
   r1 = -90.0, r2 = -80.0, r3 =  20.0, r4 =  30.0, &end

# 73 HIS PSI:  (73 HIS N) - (73 HIS CA) - (73 HIS C) - (74 GLY N) -80.0  20.0
 &rst     iat =  1040,  1042,  1055,  1057,
   r1 = -90.0, r2 = -80.0, r3 =  20.0, r4 =  30.0, &end

# 2 VAL PHI:  (1 GLY C) - (2 VAL N) - (2 VAL CA) - (2 VAL C) -180.0   0.0
 &rst     iat =     6,     8,    10,    22,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 3 THR PHI:  (2 VAL C) - (3 THR N) - (3 THR CA) - (3 THR C) -180.0   0.0
 &rst     iat =    22,    24,    26,    36,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 4 LYS PHI:  (3 THR C) - (4 LYS N) - (4 LYS CA) - (4 LYS C) -180.0   0.0
 &rst     iat =    36,    38,    40,    58,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 5 GLU PHI:  (4 LYS C) - (5 GLU N) - (5 GLU CA) - (5 GLU C) -180.0   0.0
 &rst     iat =    58,    60,    62,    73,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 6 ILE PHI:  (5 GLU C) - (6 ILE N) - (6 ILE CA) - (6 ILE C) -180.0   0.0
 &rst     iat =    73,    75,    77,    92,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 7 ARG PHI:  (6 ILE C) - (7 ARG N) - (7 ARG CA) - (7 ARG C) -180.0   0.0
 &rst     iat =    92,    94,    96,   116,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 8 ILE PHI:  (7 ARG C) - (8 ILE N) - (8 ILE CA) - (8 ILE C) -180.0   0.0
 &rst     iat =   116,   118,   120,   135,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 9 PRO PHI:  (8 ILE C) - (9 PRO N) - (9 PRO CA) - (9 PRO C) -180.0   0.0
 &rst     iat =   135,   137,   147,   149,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 15 ASP PHI:  (14 CYS C) - (15 ASP N) - (15 ASP CA) - (15 ASP C) -180.0   0.0
 &rst     iat =   222,   224,   226,   234,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 16 VAL PHI:  (15 ASP C) - (16 VAL N) - (16 VAL CA) - (16 VAL C) -180.0   0.0
 &rst     iat =   234,   236,   238,   250,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 33 THR PHI:  (32 PRO C) - (33 THR N) - (33 THR CA) - (33 THR C) -180.0   0.0
 &rst     iat =   455,   457,   459,   469,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 42 MET PHI:  (41 GLN C) - (42 MET N) - (42 MET CA) - (42 MET C) -180.0   0.0
 &rst     iat =   571,   573,   575,   590,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 43 ARG PHI:  (42 MET C) - (43 ARG N) - (43 ARG CA) - (43 ARG C) -180.0   0.0
 &rst     iat =   590,   592,   594,   614,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 44 GLN PHI:  (43 ARG C) - (44 GLN N) - (44 GLN CA) - (44 GLN C) -180.0   0.0
 &rst     iat =   614,   616,   618,   631,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 46 PHE PHI:  (45 GLY C) - (46 PHE N) - (46 PHE CA) - (46 PHE C) -180.0   0.0
 &rst     iat =   638,   640,   642,   658,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 64 LYS PHI:  (63 ILE C) - (64 LYS N) - (64 LYS CA) - (64 LYS C) -180.0   0.0
 &rst     iat =   910,   912,   914,   932,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 69 LYS PHI:  (68 ASN C) - (69 LYS N) - (69 LYS CA) - (69 LYS C) -180.0   0.0
 &rst     iat =   982,   984,   986,  1004,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 77 GLU PHI:  (76 VAL C) - (77 GLU N) - (77 GLU CA) - (77 GLU C) -180.0   0.0
 &rst     iat =  1102,  1104,  1106,  1117,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 78 SER PHI:  (77 GLU C) - (78 ARG N) - (78 ARG CA) - (78 ARG C) -180.0   0.0
 &rst     iat =  1117,  1119,  1121,  1141,
   r1 = -190.0, r2 = -180.0, r3 =   0.0, r4 =  10.0, &end

# 18 HIS PHI:  (17 CYS C) - (18 HIS N) - (18 HIS CA) - (18 HIS C)  30.0  90.0
 &rst     iat =   260,   262,   264,   277,
   r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0, &end

# 35 HIS PHI:  (34 CYS C) - (35 HIS N) - (35 HIS CA) - (35 HIS C)  30.0  90.0
 &rst     iat =   479,   481,   483,   496,
   r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0, &end

# 57 GLN PHI:  (56 CYS C) - (57 GLN N) - (57 GLN CA) - (57 GLN C)  30.0  90.0
 &rst     iat =   803,   805,   807,   820,
   r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0, &end

# 71 HIS PHI:  (70 CYS C) - (71 HIS N) - (71 HIS CA) - (71 HIS C)  30.0  90.0
 &rst     iat =  1014,  1016,  1018,  1031,
   r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0, &end

# 18 HIS PSI:  (18 HIS N) - (18 HIS CA) - (18 HIS C) - (19 GLY N)   0.0  80.0
 &rst     iat =   262,   264,   277,   279,
   r1 = -10.0, r2 =   0.0, r3 =  80.0, r4 =  90.0, &end

# 35 HIS PSI:  (35 HIS N) - (35 HIS CA) - (35 HIS C) - (36 GLY N)   0.0  80.0
 &rst     iat =   481,   483,   496,   498,
   r1 = -10.0, r2 =   0.0, r3 =  80.0, r4 =  90.0, &end

# 57 GLN PSI:  (57 GLN N) - (57 GLN CA) - (57 GLN C) - (58 GLY N)   0.0  80.0
 &rst     iat =   805,   807,   820,   822,
   r1 = -10.0, r2 =   0.0, r3 =  80.0, r4 =  90.0, &end

# 71 HIS PSI:  (71 HIS N) - (71 HIS CA) - (71 HIS C) - (72 GLY N)   0.0  80.0
 &rst     iat =  1016,  1018,  1031,  1033,
   r1 = -10.0, r2 =   0.0, r3 =  80.0, r4 =  90.0, &end

# 14 CYS CHI1:  (14 CYS N) - (14 CYS CA) - (14 CYS CB) - (14 CYS SG) 140.0 220.0
 &rst     iat =   214,   216,   218,   221,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 31 CYS CHI1:  (31 CYS N) - (31 CYS CA) - (31 CYS CB) - (31 CYS SG) 140.0 220.0
 &rst     iat =   433,   435,   437,   440,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 53 CYS CHI1:  (53 CYS N) - (53 CYS CA) - (53 CYS CB) - (53 CYS SG) 140.0 220.0
 &rst     iat =   754,   756,   758,   761,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 67 CYS CHI1:  (67 CYS N) - (67 CYS CA) - (67 CYS CB) - (67 CYS SG) 140.0 220.0
 &rst     iat =   960,   962,   964,   967,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 17 CYS CHI1:  (17 CYS N) - (17 CYS CA) - (17 CYS CB) - (17 CYS SG)  20.0 100.0
 &rst     iat =   252,   254,   256,   259,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 34 CYS CHI1:  (34 CYS N) - (34 CYS CA) - (34 CYS CB) - (34 CYS SG)  20.0 100.0
 &rst     iat =   471,   473,   475,   478,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 56 CYS CHI1:  (56 CYS N) - (56 CYS CA) - (56 CYS CB) - (56 CYS SG)  20.0 100.0
 &rst     iat =   795,   797,   799,   802,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 70 CYS CHI1:  (70 CYS N) - (70 CYS CA) - (70 CYS CB) - (70 CYS SG)  20.0 100.0
 &rst     iat =  1006,  1008,  1010,  1013,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 27 GLN CHI1:  (27 GLN N) - (27 GLN CA) - (27 GLN CB) - (27 GLN CG)  20.0 100.0
 &rst     iat =   371,   373,   375,   378,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 39 GLN CHI1:  (39 GLN N) - (39 GLN CA) - (39 GLN CB) - (39 GLN CG)  20.0 100.0
 &rst     iat =   523,   525,   527,   530,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 44 GLN CHI1:  (44 GLN N) - (44 GLN CA) - (44 GLN CB) - (44 GLN CG)  20.0 100.0
 &rst     iat =   616,   618,   620,   623,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 65 ASP CHI1:  (65 ASP N) - (65 ASP CA) - (65 ASP CB) - (65 ASP CG)  20.0 100.0
 &rst     iat =   934,   936,   938,   941,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 75 ARG CHI1:  (75 ARG N) - (75 ARG CA) - (75 ARG CB) - (75 ARG CG)  20.0 100.0
 &rst     iat =  1064,  1066,  1068,  1071,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 11 LEU CHI1:  (11 LEU N) - (11 LEU CA) - (11 LEU CB) - (11 LEU CG) -100.0 -20.0
 &rst     iat =   165,   167,   169,   172,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 62 LEU CHI1:  (62 LEU N) - (62 LEU CA) - (62 LEU CB) - (62 LEU CG) -100.0 -20.0
 &rst     iat =   874,   876,   878,   881,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 69 LYS CHI1:  (69 LYS N) - (69 LYS CA) - (69 LYS CB) - (69 LYS CG) 140.0 220.0
 &rst     iat =   984,   986,   988,   991,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 16 VAL CHI1:  (16 VAL N) - (16 VAL CA) - (16 VAL CB) - (16 VAL CG1) 140.0 220.0
 &rst     iat =   236,   238,   240,   242,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 55 HIS CHI1:  (55 HIS N) - (55 HIS CA) - (55 HIS CB) - (55 HIS CG) 140.0 220.0
 &rst     iat =   778,   780,   782,   785,
   r1 = 130.0, r2 = 140.0, r3 = 220.0, r4 = 230.0, &end

# 57 GLN CHI1:  (57 GLN N) - (57 GLN CA) - (57 GLN CB) - (57 GLN CG) -100.0 -20.0
 &rst     iat =   805,   807,   809,   812,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 26 THR CHI1:  (26 THR N) - (26 THR CA) - (26 THR CB) - (26 THR OG1) -100.0 -20.0
 &rst     iat =   357,   359,   361,   367,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 12 GLU CHI1:  (12 GLU N) - (12 GLU CA) - (12 GLU CB) - (12 GLU CG) -100.0 -20.0
 &rst     iat =   184,   186,   188,   191,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 20 SER CHI1:  (20 SER N) - (20 SER CA) - (20 SER CB) - (20 SER OG)  20.0 100.0
 &rst     iat =   286,   288,   290,   293,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 29 GLN CHI1:  (29 GLN N) - (29 GLN CA) - (29 GLN CB) - (29 GLN CG) -100.0 -20.0
 &rst     iat =   402,   404,   406,   409,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 35 HIS CHI1:  (35 HIS N) - (35 HIS CA) - (35 HIS CB) - (35 HIS CG) -100.0 -20.0
 &rst     iat =   481,   483,   485,   488,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 47 PHE CHI1:  (47 PHE N) - (47 PHE CA) - (47 PHE CB) - (47 PHE CG) -100.0 -20.0
 &rst     iat =   660,   662,   664,   667,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 49 VAL CHI1:  (49 VAL N) - (49 VAL CA) - (49 VAL CB) - (49 VAL CG1) -100.0 -20.0
 &rst     iat =   690,   692,   694,   696,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 51 GLN CHI1:  (51 GLN N) - (51 GLN CA) - (51 GLN CB) - (51 GLN CG) -100.0 -20.0
 &rst     iat =   723,   725,   727,   730,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 6 ILE CHI1:  (6 ILE N) - (6 ILE CA) - (6 ILE CB) - (6 ILE CG1)  20.0 100.0
 &rst     iat =    75,    77,    79,    85,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 15 ASP CHI1:  (15 ASP N) - (15 ASP CA) - (15 ASP CB) - (15 ASP CG)  20.0 100.0
 &rst     iat =   224,   226,   228,   231,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 10 THR CHI1:  (10 THR N) - (10 THR CA) - (10 THR CB) - (10 THR OG1) -100.0 -20.0
 &rst     iat =   151,   153,   155,   161,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 30 THR CHI1:  (30 THR N) - (30 THR CA) - (30 THR CB) - (30 THR OG1) -100.0 -20.0
 &rst     iat =   419,   421,   423,   429,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 33 THR CHI1:  (33 THR N) - (33 THR CA) - (33 THR CB) - (33 THR OG1) -100.0 -20.0
 &rst     iat =   457,   459,   461,   467,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end

# 61 THR CHI1:  (61 THR N) - (61 THR CA) - (61 THR CB) - (61 THR OG1)  20.0 100.0
 &rst     iat =   860,   862,   864,   870,
   r1 =  10.0, r2 =  20.0, r3 = 100.0, r4 = 110.0, &end

# 40 VAL CHI1:  (40 VAL N) - (40 VAL CA) - (40 VAL CB) - (40 VAL CG1) -100.0 -20.0
 &rst     iat =   540,   542,   544,   546,
   r1 = -110.0, r2 = -100.0, r3 = -20.0, r4 = -10.0, &end


#
#    12 GLU  HN           76 VAL  O           2.00     (#   1001:99   H-bonds)
 &rst
  ixpk= 1001, iat= 185,1103, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#    12 GLU  N            76 VAL  O           2.80     (#   1002:99   H-bonds)
 &rst
  ixpk= 1002, iat= 184,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12 GLU  O            76 VAL  HN          2.00     (#   1003:99   H-bonds)
 &rst
  ixpk= 1003, iat= 198,1089, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    12 GLU  O            76 VAL  N           2.80     (#   1004:99   H-bonds)
 &rst
  ixpk= 1004, iat= 198,1088, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    29 GLN  HN           62 LEU  O           2.00     (#   1005:99   H-bonds)
 &rst
  ixpk= 1005, iat= 403, 892, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    29 GLN  N            62 LEU  O           2.80     (#   1006:99   H-bonds)
 &rst
  ixpk= 1006, iat= 402, 892, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    29 GLN  O            62 LEU  HN          2.00     (#   1007:99   H-bonds   )
 &rst
  ixpk= 1007, iat= 418, 875, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    29 GLN  O            62 LEU  N           2.80     (#   1008:99   H-bonds  )
 &rst
  ixpk= 1008, iat= 418, 874, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    40 VAL  HN           51 GLN  O           2.00     (#   1009:99   H-bonds)
 &rst
  ixpk= 1009, iat= 541, 739, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    40 VAL  N            51 GLN  O           2.80     (#   1010:99   H-bonds)
 &rst
  ixpk= 1010, iat= 540, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    40 VAL  O            51 GLN  HN          2.00     (#   1011:99   H-bonds  )
 &rst
  ixpk= 1011, iat= 555, 724, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    40 VAL  O            51 GLN  N           2.80     (#   1012:99   H-bonds )
 &rst
  ixpk= 1012, iat= 555, 723, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 SER  HG           20 SER  HA          5.00    (#    002:999  Manually )
 &rst
  ixpk= 2, iat= 294, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           22 ALA  MB          5.00    (#    003:999  Manually)
 &rst
  ixpk= 3, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   20 SER  HG           22 ALA  HN          3.30    (#    004:999  Manually )
 &rst
  ixpk= 4, iat= 294, 305, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   18 HIS  HA           17 CYS  HN          5.00    (#    000:999  Manually)
 &rst
  ixpk= 0, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA           34 CYS  HN          5.00    (#    001:999  Manually)
 &rst
  ixpk= 1, iat= 484, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           60 GLY  HN          6.00    (#      0:10   Preassigned)
 &rst
  ixpk= 0, iat= 823, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#      2:10   Preassigned)
 &rst
  ixpk= 2, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          60 GLY  HN          6.00    (#      3:10   Preassigned)
 &rst
  ixpk= 3, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 825, 826,
 &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#      4:10   Preassigned)
 &rst
  ixpk= 4, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          5.00    (#      5:10   Preassigned)
 &rst
  ixpk= 5, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#      6:10   Preassigned)
 &rst
  ixpk= 6, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           60 GLY  HN          5.00    (#      7:10   Preassigned)
 &rst
  ixpk= 7, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 834, 835,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#      8:10   Preassigned)
 &rst
  ixpk= 8, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#      9:10   Preassigned)
 &rst
  ixpk= 9, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#     11:10   Preassigned)
 &rst
  ixpk= 11, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA1          74 GLY  HN          5.00    (#     12:10   Preassigned)
 &rst
  ixpk= 12, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   74 GLY  HA2          74 GLY  HN          5.00    (#     13:10   Preassigned)
 &rst
  ixpk= 13, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   73 HIS  QB           74 GLY  HN          5.00    (#     14:10   Preassigned)
 &rst
  ixpk= 14, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          74 GLY  HN          5.00    (#     15:10   Preassigned)
 &rst
  ixpk= 15, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#     16:10   Preassigned)
 &rst
  ixpk= 16, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#     17:10   Preassigned)
 &rst
  ixpk= 17, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          5.00    (#     18:10   Preassigned)
 &rst
  ixpk= 18, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          61 THR  HN          5.00    (#     19:10   Preassigned)
 &rst
  ixpk= 19, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   61 THR  HB           61 THR  HN          5.00    (#     20:10   Preassigned)
 &rst
  ixpk= 20, iat= 865, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB2          61 THR  HN          5.00    (#     21:10   Preassigned)
 &rst
  ixpk= 21, iat= 800, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#     22:10   Preassigned)
 &rst
  ixpk= 22, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#     23:10   Preassigned)
 &rst
  ixpk= 23, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG2          61 THR  HN          5.00    (#     24:10   Preassigned)
 &rst
  ixpk= 24, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#     25:10   Preassigned)
 &rst
  ixpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   39 GLN  HB2          39 GLN  HE21        6.00    (#     50:10   Preassigned)
 &rst
  ixpk= 50, iat= 528, 536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLY  HN           26 THR  HN          6.00    (#     58:10   Preassigned)
 &rst
  ixpk= 58, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HA           26 THR  HN          3.30    (#     60:10   Preassigned)
 &rst
  ixpk= 60, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   25 GLY  HA1          26 THR  HN          5.00    (#     61:10   Preassigned)
 &rst
  ixpk= 61, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HB           26 THR  HN          5.00    (#     62:10   Preassigned)
 &rst
  ixpk= 62, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#     63:10   Preassigned)
 &rst
  ixpk= 63, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#     64:10   Preassigned)
 &rst
  ixpk= 64, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#     65:10   Preassigned)
 &rst
  ixpk= 65, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA1          25 GLY  HN          6.00    (#     67:10   Preassigned)
 &rst
  ixpk= 67, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 354,
 &end
#
#   25 GLY  HA2          25 GLY  HN          6.00    (#     68:10   Preassigned)
 &rst
  ixpk= 68, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 354,
 &end
#
#   41 GLN  HN           40 VAL  HN          6.00    (#     69:10   Preassigned)
 &rst
  ixpk= 69, iat= 557, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#     70:10   Preassigned)
 &rst
  ixpk= 70, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          3.30    (#     71:10   Preassigned)
 &rst
  ixpk= 71, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   52 THR  HA           40 VAL  HN          5.00    (#     73:10   Preassigned)
 &rst
  ixpk= 73, iat= 743, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#     75:10   Preassigned)
 &rst
  ixpk= 75, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HG1          40 VAL  HN          5.00    (#     76:10   Preassigned)
 &rst
  ixpk= 76, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          40 VAL  HN          5.00    (#     77:10   Preassigned)
 &rst
  ixpk= 77, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#     78:10   Preassigned)
 &rst
  ixpk= 78, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          5.00    (#     79:10   Preassigned)
 &rst
  ixpk= 79, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#     80:10   Preassigned)
 &rst
  ixpk= 80, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#     81:10   Preassigned)
 &rst
  ixpk= 81, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          6.00    (#     82:10   Preassigned)
 &rst
  ixpk= 82, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#     84:10   Preassigned)
 &rst
  ixpk= 84, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA1          21 GLY  HN          5.00    (#     86:10   Preassigned)
 &rst
  ixpk= 86, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#     87:10   Preassigned)
 &rst
  ixpk= 87, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2          21 GLY  HN          5.00    (#     88:10   Preassigned)
 &rst
  ixpk= 88, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#     89:10   Preassigned)
 &rst
  ixpk= 89, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#     90:10   Preassigned)
 &rst
  ixpk= 90, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   69 LYS  HN           70 CYS  HN          5.00    (#     91:10   Preassigned)
 &rst
  ixpk= 91, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           70 CYS  HN          6.00    (#     92:10   Preassigned)
 &rst
  ixpk= 92, iat=1034,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#     93:10   Preassigned)
 &rst
  ixpk= 93, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           70 CYS  HN          5.00    (#     94:10   Preassigned)
 &rst
  ixpk= 94, iat=1019,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#     95:10   Preassigned)
 &rst
  ixpk= 95, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#     96:10   Preassigned)
 &rst
  ixpk= 96, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#     97:10   Preassigned)
 &rst
  ixpk= 97, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          5.00    (#     98:10   Preassigned)
 &rst
  ixpk= 98, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          70 CYS  HN          6.00    (#     99:10   Preassigned)
 &rst
  ixpk= 99, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#    100:10   Preassigned)
 &rst
  ixpk= 100, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#    101:10   Preassigned)
 &rst
  ixpk= 101, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          70 CYS  HN          5.00    (#    102:10   Preassigned)
 &rst
  ixpk= 102, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   76 VAL  MGX          70 CYS  HN          5.00    (#    103:10   Preassigned)
 &rst
  ixpk= 103, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#    107:10   Preassigned)
 &rst
  ixpk= 107, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#    108:10   Preassigned)
 &rst
  ixpk= 108, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           38 GLY  HN          6.00    (#    109:10   Preassigned)
 &rst
  ixpk= 109, iat= 499, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HA           38 GLY  HN          5.00    (#    111:10   Preassigned)
 &rst
  ixpk= 111, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HA1          38 GLY  HN          5.00    (#    112:10   Preassigned)
 &rst
  ixpk= 112, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#    113:10   Preassigned)
 &rst
  ixpk= 113, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#    115:10   Preassigned)
 &rst
  ixpk= 115, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HN           56 CYS  HN          5.00    (#    117:10   Preassigned)
 &rst
  ixpk= 117, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HN           56 CYS  HN          3.30    (#    119:10   Preassigned)
 &rst
  ixpk= 119, iat= 806, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#    121:10   Preassigned)
 &rst
  ixpk= 121, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           56 CYS  HN          5.00    (#    122:10   Preassigned)
 &rst
  ixpk= 122, iat= 808, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          56 CYS  HN          5.00    (#    123:10   Preassigned)
 &rst
  ixpk= 123, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          56 CYS  HN          5.00    (#    124:10   Preassigned)
 &rst
  ixpk= 124, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#    125:10   Preassigned)
 &rst
  ixpk= 125, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#    126:10   Preassigned)
 &rst
  ixpk= 126, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HB2          56 CYS  HN          6.00    (#    127:10   Preassigned)
 &rst
  ixpk= 127, iat= 810, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HB2          56 CYS  HN          6.00    (#    128:10   Preassigned)
 &rst
  ixpk= 128, iat= 759, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          6.00    (#    129:10   Preassigned)
 &rst
  ixpk= 129, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 888, 889, 890,
 &end
#
#   12 GLU  HN           76 VAL  HN          5.00    (#    130:10   Preassigned)
 &rst
  ixpk= 130, iat= 185,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#    131:10   Preassigned)
 &rst
  ixpk= 131, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HN           76 VAL  HN          6.00    (#    132:10   Preassigned)
 &rst
  ixpk= 132, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           76 VAL  HN          3.30    (#    133:10   Preassigned)
 &rst
  ixpk= 133, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#    134:10   Preassigned)
 &rst
  ixpk= 134, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           76 VAL  HN          5.00    (#    135:10   Preassigned)
 &rst
  ixpk= 135, iat=1091,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           76 VAL  HN          5.00    (#    136:10   Preassigned)
 &rst
  ixpk= 136, iat= 202,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HD1          76 VAL  HN          6.00    (#    137:10   Preassigned)
 &rst
  ixpk= 137, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   76 VAL  HB           76 VAL  HN          5.00    (#    138:10   Preassigned)
 &rst
  ixpk= 138, iat=1093,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#    139:10   Preassigned)
 &rst
  ixpk= 139, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HG1          76 VAL  HN          5.00    (#    140:10   Preassigned)
 &rst
  ixpk= 140, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#   11 LEU  HB3          76 VAL  HN          6.00    (#    141:10   Preassigned)
 &rst
  ixpk= 141, iat= 171,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          76 VAL  HN          5.00    (#    142:10   Preassigned)
 &rst
  ixpk= 142, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   16 VAL  HN           17 CYS  HN          3.30    (#    143:10   Preassigned)
 &rst
  ixpk= 143, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HN           17 CYS  HN          6.00    (#    144:10   Preassigned)
 &rst
  ixpk= 144, iat= 225, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 GLY  HN           17 CYS  HN          6.00    (#    145:10   Preassigned)
 &rst
  ixpk= 145, iat= 280, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           17 CYS  HN          6.00    (#    146:10   Preassigned)
 &rst
  ixpk= 146, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#    147:10   Preassigned)
 &rst
  ixpk= 147, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#    148:10   Preassigned)
 &rst
  ixpk= 148, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          17 CYS  HN          6.00    (#    149:10   Preassigned)
 &rst
  ixpk= 149, iat= 220, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#    150:10   Preassigned)
 &rst
  ixpk= 150, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          17 CYS  HN          6.00    (#    151:10   Preassigned)
 &rst
  ixpk= 151, iat= 219, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           17 CYS  HN          5.00    (#    152:10   Preassigned)
 &rst
  ixpk= 152, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  MG1          17 CYS  HN          5.00    (#    153:10   Preassigned)
 &rst
  ixpk= 153, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 243, 244, 245,
 &end
#
#   11 LEU  HN           10 THR  HN          6.00    (#    154:10   Preassigned)
 &rst
  ixpk= 154, iat= 166, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#    156:10   Preassigned)
 &rst
  ixpk= 156, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#    157:10   Preassigned)
 &rst
  ixpk= 157, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#    158:10   Preassigned)
 &rst
  ixpk= 158, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HB1          10 THR  HN          5.00    (#    159:10   Preassigned)
 &rst
  ixpk= 159, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#    9 PRO  HB2          10 THR  HN          5.00    (#    160:10   Preassigned)
 &rst
  ixpk= 160, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#    161:10   Preassigned)
 &rst
  ixpk= 161, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#    162:10   Preassigned)
 &rst
  ixpk= 162, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#    163:10   Preassigned)
 &rst
  ixpk= 163, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           37 SER  HN          6.00    (#    164:10   Preassigned)
 &rst
  ixpk= 164, iat= 524, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#    167:10   Preassigned)
 &rst
  ixpk= 167, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          37 SER  HN          5.00    (#    168:10   Preassigned)
 &rst
  ixpk= 168, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   37 SER  HA           37 SER  HN          5.00    (#    169:10   Preassigned)
 &rst
  ixpk= 169, iat= 508, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#    170:10   Preassigned)
 &rst
  ixpk= 170, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#   34 CYS  HB2          37 SER  HN          6.00    (#    172:10   Preassigned)
 &rst
  ixpk= 172, iat= 476, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#    173:10   Preassigned)
 &rst
  ixpk= 173, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          6.00    (#    174:10   Preassigned)
 &rst
  ixpk= 174, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 HIS  HN           75 ARG  HN          6.00    (#    175:10   Preassigned)
 &rst
  ixpk= 175, iat=1041,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#    176:10   Preassigned)
 &rst
  ixpk= 176, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           75 ARG  HN          5.00    (#    178:10   Preassigned)
 &rst
  ixpk= 178, iat=1043,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA1          75 ARG  HN          5.00    (#    179:10   Preassigned)
 &rst
  ixpk= 179, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   73 HIS  QB           75 ARG  HN          5.00    (#    180:10   Preassigned)
 &rst
  ixpk= 180, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   73 HIS  QB           75 ARG  HN          5.00    (#    181:10   Preassigned)
 &rst
  ixpk= 181, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#    182:10   Preassigned)
 &rst
  ixpk= 182, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          75 ARG  HN          6.00    (#    183:10   Preassigned)
 &rst
  ixpk= 183, iat= 219,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#    184:10   Preassigned)
 &rst
  ixpk= 184, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB3          75 ARG  HN          5.00    (#    185:10   Preassigned)
 &rst
  ixpk= 185, iat=1070,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          75 ARG  HN          6.00    (#    186:10   Preassigned)
 &rst
  ixpk= 186, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#    187:10   Preassigned)
 &rst
  ixpk= 187, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           34 CYS  HN          6.00    (#    188:10   Preassigned)
 &rst
  ixpk= 188, iat= 499, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#    189:10   Preassigned)
 &rst
  ixpk= 189, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HA           34 CYS  HN          5.00    (#    190:10   Preassigned)
 &rst
  ixpk= 190, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           34 CYS  HN          5.00    (#    191:10   Preassigned)
 &rst
  ixpk= 191, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HA           34 CYS  HN          5.00    (#    192:10   Preassigned)
 &rst
  ixpk= 192, iat= 460, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#    193:10   Preassigned)
 &rst
  ixpk= 193, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          34 CYS  HN          5.00    (#    195:10   Preassigned)
 &rst
  ixpk= 195, iat= 439, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#    196:10   Preassigned)
 &rst
  ixpk= 196, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          34 CYS  HN          6.00    (#    197:10   Preassigned)
 &rst
  ixpk= 197, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#    198:10   Preassigned)
 &rst
  ixpk= 198, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG1          34 CYS  HN          6.00    (#    199:10   Preassigned)
 &rst
  ixpk= 199, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#    200:10   Preassigned)
 &rst
  ixpk= 200, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           20 SER  HN          5.00    (#    201:10   Preassigned)
 &rst
  ixpk= 201, iat= 280, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           20 SER  HN          5.00    (#    202:10   Preassigned)
 &rst
  ixpk= 202, iat= 253, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           20 SER  HN          5.00    (#    204:10   Preassigned)
 &rst
  ixpk= 204, iat= 255, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA1          20 SER  HN          5.00    (#    205:10   Preassigned)
 &rst
  ixpk= 205, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 282, 283,
 &end
#
#   20 SER  HA           20 SER  HN          5.00    (#    206:10   Preassigned)
 &rst
  ixpk= 206, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HB3          20 SER  HN          5.00    (#    207:10   Preassigned)
 &rst
  ixpk= 207, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HB2          20 SER  HN          5.00    (#    208:10   Preassigned)
 &rst
  ixpk= 208, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#    209:10   Preassigned)
 &rst
  ixpk= 209, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB+          20 SER  HN          5.00    (#    210:10   Preassigned)
 &rst
  ixpk= 210, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   17 CYS  HB2          20 SER  HN          6.00    (#    211:10   Preassigned)
 &rst
  ixpk= 211, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HN           27 GLN  HN          6.00    (#    213:10   Preassigned)
 &rst
  ixpk= 213, iat= 358, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLN  HA           27 GLN  HN          5.00    (#    214:10   Preassigned)
 &rst
  ixpk= 214, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           27 GLN  HN          3.30    (#    215:10   Preassigned)
 &rst
  ixpk= 215, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#    216:10   Preassigned)
 &rst
  ixpk= 216, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#    218:10   Preassigned)
 &rst
  ixpk= 218, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HN          5.00    (#    219:10   Preassigned)
 &rst
  ixpk= 219, iat= 376, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HB2          27 GLN  HN          5.00    (#    220:10   Preassigned)
 &rst
  ixpk= 220, iat= 376, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HG21         27 GLN  HN          5.00    (#    221:10   Preassigned)
 &rst
  ixpk= 221, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   44 GLN  HN           47 PHE  HN          5.00    (#    222:10   Preassigned)
 &rst
  ixpk= 222, iat= 617, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HN           47 PHE  HN          6.00    (#    223:10   Preassigned)
 &rst
  ixpk= 223, iat= 681, 661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 PHE  HD1          47 PHE  HN          5.00    (#    224:10   Preassigned)
 &rst
  ixpk= 224, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 677,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#    226:10   Preassigned)
 &rst
  ixpk= 226, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#    227:10   Preassigned)
 &rst
  ixpk= 227, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB+          47 PHE  HN          5.00    (#    228:10   Preassigned)
 &rst
  ixpk= 228, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          47 PHE  HN          5.00    (#    229:10   Preassigned)
 &rst
  ixpk= 229, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#    230:10   Preassigned)
 &rst
  ixpk= 230, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           57 GLN  HN          5.00    (#    231:10   Preassigned)
 &rst
  ixpk= 231, iat= 823, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           57 GLN  HN          5.00    (#    232:10   Preassigned)
 &rst
  ixpk= 232, iat= 796, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#    234:10   Preassigned)
 &rst
  ixpk= 234, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          2.70    (#    235:10   Preassigned)
 &rst
  ixpk= 235, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   55 HIS  HB1          57 GLN  HN          6.00    (#    236:10   Preassigned)
 &rst
  ixpk= 236, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          57 GLN  HN          6.00    (#    237:10   Preassigned)
 &rst
  ixpk= 237, iat= 760, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 GLN  HG2          57 GLN  HN          5.00    (#    238:10   Preassigned)
 &rst
  ixpk= 238, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#   52 THR  HG21         57 GLN  HN          6.00    (#    239:10   Preassigned)
 &rst
  ixpk= 239, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#    240:10   Preassigned)
 &rst
  ixpk= 240, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           73 HIS  HN          5.00    (#    241:10   Preassigned)
 &rst
  ixpk= 241, iat=1034,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#    242:10   Preassigned)
 &rst
  ixpk= 242, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          6.00    (#    243:10   Preassigned)
 &rst
  ixpk= 243, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#    244:10   Preassigned)
 &rst
  ixpk= 244, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          3.30    (#    245:10   Preassigned)
 &rst
  ixpk= 245, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   72 GLY  HA2          73 HIS  HN          5.00    (#    246:10   Preassigned)
 &rst
  ixpk= 246, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  QB           73 HIS  HN          3.30    (#    248:10   Preassigned)
 &rst
  ixpk= 248, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1045,1046,
 &end
#
#   73 HIS  QB           73 HIS  HN          5.00    (#    249:10   Preassigned)
 &rst
  ixpk= 249, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB2          73 HIS  HN          6.00    (#    250:10   Preassigned)
 &rst
  ixpk= 250, iat=1011,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 LYS  HN           65 ASP  HN          5.00    (#    251:10   Preassigned)
 &rst
  ixpk= 251, iat= 913, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#    253:10   Preassigned)
 &rst
  ixpk= 253, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HA           65 ASP  HN          5.00    (#    255:10   Preassigned)
 &rst
  ixpk= 255, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           65 ASP  HN          5.00    (#    256:10   Preassigned)
 &rst
  ixpk= 256, iat= 896, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#    259:10   Preassigned)
 &rst
  ixpk= 259, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#    260:10   Preassigned)
 &rst
  ixpk= 260, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HB+          65 ASP  HN          5.00    (#    261:10   Preassigned)
 &rst
  ixpk= 261, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#   63 ILE  HG11         65 ASP  HN          6.00    (#    262:10   Preassigned)
 &rst
  ixpk= 262, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 904, 905,
 &end
#
#   22 ALA  HB1          65 ASP  HN          6.00    (#    264:10   Preassigned)
 &rst
  ixpk= 264, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#    265:10   Preassigned)
 &rst
  ixpk= 265, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   53 CYS  HN           52 THR  HN          6.00    (#    266:10   Preassigned)
 &rst
  ixpk= 266, iat= 755, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 THR  HA           52 THR  HN          5.00    (#    267:10   Preassigned)
 &rst
  ixpk= 267, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          3.30    (#    268:10   Preassigned)
 &rst
  ixpk= 268, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#    269:10   Preassigned)
 &rst
  ixpk= 269, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   51 GLN  HB3          52 THR  HN          5.00    (#    270:10   Preassigned)
 &rst
  ixpk= 270, iat= 729, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HB2          52 THR  HN          5.00    (#    271:10   Preassigned)
 &rst
  ixpk= 271, iat= 728, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         52 THR  HN          5.00    (#    272:10   Preassigned)
 &rst
  ixpk= 272, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   48 ALA  HN           49 VAL  HN          5.00    (#    275:10   Preassigned)
 &rst
  ixpk= 275, iat= 681, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HA           49 VAL  HN          5.00    (#    276:10   Preassigned)
 &rst
  ixpk= 276, iat= 595, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#    277:10   Preassigned)
 &rst
  ixpk= 277, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#    279:10   Preassigned)
 &rst
  ixpk= 279, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#    280:10   Preassigned)
 &rst
  ixpk= 280, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   29 GLN  HN           62 LEU  HN          5.00    (#    281:10   Preassigned)
 &rst
  ixpk= 281, iat= 403, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#    282:10   Preassigned)
 &rst
  ixpk= 282, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#    283:10   Preassigned)
 &rst
  ixpk= 283, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#    284:10   Preassigned)
 &rst
  ixpk= 284, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           62 LEU  HN          3.30    (#    286:10   Preassigned)
 &rst
  ixpk= 286, iat= 865, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HB3          62 LEU  HN          5.00    (#    287:10   Preassigned)
 &rst
  ixpk= 287, iat= 408, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          62 LEU  HN          6.00    (#    288:10   Preassigned)
 &rst
  ixpk= 288, iat= 407, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 PRO  HB2          62 LEU  HN          6.00    (#    289:10   Preassigned)
 &rst
  ixpk= 289, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396, 397,
 &end
#
#   62 LEU  HB3          62 LEU  HN          5.00    (#    290:10   Preassigned)
 &rst
  ixpk= 290, iat= 880, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#    291:10   Preassigned)
 &rst
  ixpk= 291, iat= 882, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#    292:10   Preassigned)
 &rst
  ixpk= 292, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   62 LEU  HD21         62 LEU  HN          5.00    (#    293:10   Preassigned)
 &rst
  ixpk= 293, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#    294:10   Preassigned)
 &rst
  ixpk= 294, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#    295:10   Preassigned)
 &rst
  ixpk= 295, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          6.00    (#    296:10   Preassigned)
 &rst
  ixpk= 296, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           18 HIS  HN          2.70    (#    297:10   Preassigned)
 &rst
  ixpk= 297, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#    298:10   Preassigned)
 &rst
  ixpk= 298, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB+          18 HIS  HN          5.00    (#    299:10   Preassigned)
 &rst
  ixpk= 299, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   14 CYS  HB3          18 HIS  HN          6.00    (#    300:10   Preassigned)
 &rst
  ixpk= 300, iat= 220, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          18 HIS  HN          6.00    (#    301:10   Preassigned)
 &rst
  ixpk= 301, iat= 257, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           18 HIS  HN          6.00    (#    303:10   Preassigned)
 &rst
  ixpk= 303, iat= 241, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          18 HIS  HN          6.00    (#    304:10   Preassigned)
 &rst
  ixpk= 304, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#   69 LYS  HN           71 HIS  HN          5.00    (#    305:10   Preassigned)
 &rst
  ixpk= 305, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HN           71 HIS  HN          5.00    (#    306:10   Preassigned)
 &rst
  ixpk= 306, iat=1034,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#    307:10   Preassigned)
 &rst
  ixpk= 307, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          3.30    (#    308:10   Preassigned)
 &rst
  ixpk= 308, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   71 HIS  HB+          71 HIS  HN          5.00    (#    309:10   Preassigned)
 &rst
  ixpk= 309, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1021,1022,
 &end
#
#   67 CYS  HB3          71 HIS  HN          6.00    (#    310:10   Preassigned)
 &rst
  ixpk= 310, iat= 966,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HB3          71 HIS  HN          6.00    (#    312:10   Preassigned)
 &rst
  ixpk= 312, iat= 990,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#    313:10   Preassigned)
 &rst
  ixpk= 313, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#    314:10   Preassigned)
 &rst
  ixpk= 314, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#    316:10   Preassigned)
 &rst
  ixpk= 316, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA           35 HIS  HN          2.70    (#    317:10   Preassigned)
 &rst
  ixpk= 317, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 THR  HB           35 HIS  HN          6.00    (#    318:10   Preassigned)
 &rst
  ixpk= 318, iat= 462, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 HIS  HB2          35 HIS  HN          5.00    (#    319:10   Preassigned)
 &rst
  ixpk= 319, iat= 486, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          35 HIS  HN          6.00    (#    320:10   Preassigned)
 &rst
  ixpk= 320, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#    322:10   Preassigned)
 &rst
  ixpk= 322, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#    323:10   Preassigned)
 &rst
  ixpk= 323, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HN           39 GLN  HN          6.00    (#    324:10   Preassigned)
 &rst
  ixpk= 324, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           39 GLN  HN          6.00    (#    325:10   Preassigned)
 &rst
  ixpk= 325, iat= 506, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#    326:10   Preassigned)
 &rst
  ixpk= 326, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HA           39 GLN  HN          6.00    (#    328:10   Preassigned)
 &rst
  ixpk= 328, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 GLY  HA1          39 GLN  HN          5.00    (#    329:10   Preassigned)
 &rst
  ixpk= 329, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   38 GLY  HA2          39 GLN  HN          5.00    (#    330:10   Preassigned)
 &rst
  ixpk= 330, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 519, 520,
 &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#    331:10   Preassigned)
 &rst
  ixpk= 331, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB3          39 GLN  HN          5.00    (#    332:10   Preassigned)
 &rst
  ixpk= 332, iat= 529, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HG1          39 GLN  HN          5.00    (#    333:10   Preassigned)
 &rst
  ixpk= 333, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          39 GLN  HN          5.00    (#    334:10   Preassigned)
 &rst
  ixpk= 334, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   40 VAL  HN           41 GLN  HN          6.00    (#    335:10   Preassigned)
 &rst
  ixpk= 335, iat= 541, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  HA           41 GLN  HN          3.30    (#    337:10   Preassigned)
 &rst
  ixpk= 337, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  HG2          41 GLN  HN          5.00    (#    338:10   Preassigned)
 &rst
  ixpk= 338, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#    339:10   Preassigned)
 &rst
  ixpk= 339, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          3.30    (#    340:10   Preassigned)
 &rst
  ixpk= 340, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#    341:10   Preassigned)
 &rst
  ixpk= 341, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#    342:10   Preassigned)
 &rst
  ixpk= 342, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   34 CYS  HN           33 THR  HN          3.30    (#    343:10   Preassigned)
 &rst
  ixpk= 343, iat= 472, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   32 PRO  HA           33 THR  HN          5.00    (#    345:10   Preassigned)
 &rst
  ixpk= 345, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           33 THR  HN          5.00    (#    346:10   Preassigned)
 &rst
  ixpk= 346, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HA           33 THR  HN          5.00    (#    347:10   Preassigned)
 &rst
  ixpk= 347, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          33 THR  HN          5.00    (#    348:10   Preassigned)
 &rst
  ixpk= 348, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   55 HIS  HB1          33 THR  HN          6.00    (#    349:10   Preassigned)
 &rst
  ixpk= 349, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 783, 784,
 &end
#
#   31 CYS  HB3          33 THR  HN          6.00    (#    350:10   Preassigned)
 &rst
  ixpk= 350, iat= 439, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 PRO  HB2          33 THR  HN          5.00    (#    352:10   Preassigned)
 &rst
  ixpk= 352, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 451, 452,
 &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#    353:10   Preassigned)
 &rst
  ixpk= 353, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   76 VAL  HN           12 GLU  HN          5.00    (#    355:10   Preassigned)
 &rst
  ixpk= 355, iat=1089, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HN           12 GLU  HN          5.00    (#    356:10   Preassigned)
 &rst
  ixpk= 356, iat= 200, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HN           12 GLU  HN          6.00    (#    357:10   Preassigned)
 &rst
  ixpk= 357, iat= 166, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           12 GLU  HN          6.00    (#    358:10   Preassigned)
 &rst
  ixpk= 358, iat=1067, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#    360:10   Preassigned)
 &rst
  ixpk= 360, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HA           12 GLU  HN          5.00    (#    361:10   Preassigned)
 &rst
  ixpk= 361, iat=1107, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#    362:10   Preassigned)
 &rst
  ixpk= 362, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#   12 GLU  HB1          12 GLU  HN          5.00    (#    363:10   Preassigned)
 &rst
  ixpk= 363, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#   78 ARG  HB+          12 GLU  HN          5.00    (#    364:10   Preassigned)
 &rst
  ixpk= 364, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HB2          12 GLU  HN          5.00    (#    365:10   Preassigned)
 &rst
  ixpk= 365, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#    367:10   Preassigned)
 &rst
  ixpk= 367, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HD11         12 GLU  HN          5.00    (#    368:10   Preassigned)
 &rst
  ixpk= 368, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 175, 176, 177,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#    369:10   Preassigned)
 &rst
  ixpk= 369, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#    370:10   Preassigned)
 &rst
  ixpk= 370, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          5.00    (#    371:10   Preassigned)
 &rst
  ixpk= 371, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           59 ARG  HN          6.00    (#    372:10   Preassigned)
 &rst
  ixpk= 372, iat= 861, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLY  HA1          59 ARG  HN          5.00    (#    373:10   Preassigned)
 &rst
  ixpk= 373, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   59 ARG  HA           59 ARG  HN          5.00    (#    374:10   Preassigned)
 &rst
  ixpk= 374, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HD1          59 ARG  HN          5.00    (#    375:10   Preassigned)
 &rst
  ixpk= 375, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 840, 841,
 &end
#
#   57 GLN  HB2          59 ARG  HN          6.00    (#    376:10   Preassigned)
 &rst
  ixpk= 376, iat= 810, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#    377:10   Preassigned)
 &rst
  ixpk= 377, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          5.00    (#    378:10   Preassigned)
 &rst
  ixpk= 378, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#    379:10   Preassigned)
 &rst
  ixpk= 379, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   52 THR  HG21         59 ARG  HN          6.00    (#    380:10   Preassigned)
 &rst
  ixpk= 380, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#    381:10   Preassigned)
 &rst
  ixpk= 381, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           29 GLN  HN          6.00    (#    383:10   Preassigned)
 &rst
  ixpk= 383, iat= 863, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 GLN  HA           29 GLN  HN          5.00    (#    384:10   Preassigned)
 &rst
  ixpk= 384, iat= 405, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          3.30    (#    385:10   Preassigned)
 &rst
  ixpk= 385, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   63 ILE  HA           29 GLN  HN          6.00    (#    386:10   Preassigned)
 &rst
  ixpk= 386, iat= 896, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 PRO  HD1          29 GLN  HN          5.00    (#    387:10   Preassigned)
 &rst
  ixpk= 387, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   29 GLN  HG1          29 GLN  HN          5.00    (#    388:10   Preassigned)
 &rst
  ixpk= 388, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#   29 GLN  HB3          29 GLN  HN          5.00    (#    389:10   Preassigned)
 &rst
  ixpk= 389, iat= 408, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          29 GLN  HN          5.00    (#    390:10   Preassigned)
 &rst
  ixpk= 390, iat= 407, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HB2          29 GLN  HN          5.00    (#    391:10   Preassigned)
 &rst
  ixpk= 391, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 396, 397,
 &end
#
#   62 LEU  HB3          29 GLN  HN          5.00    (#    392:10   Preassigned)
 &rst
  ixpk= 392, iat= 880, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         29 GLN  HN          6.00    (#    393:10   Preassigned)
 &rst
  ixpk= 393, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 867, 868, 869,
 &end
#
#   63 ILE  HD11         29 GLN  HN          6.00    (#    394:10   Preassigned)
 &rst
  ixpk= 394, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   52 THR  HN           51 GLN  HN          5.00    (#    395:10   Preassigned)
 &rst
  ixpk= 395, iat= 741, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#    396:10   Preassigned)
 &rst
  ixpk= 396, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 GLN  HA           51 GLN  HN          3.30    (#    397:10   Preassigned)
 &rst
  ixpk= 397, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          51 GLN  HN          5.00    (#    398:10   Preassigned)
 &rst
  ixpk= 398, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   40 VAL  MG1          51 GLN  HN          6.00    (#    401:10   Preassigned)
 &rst
  ixpk= 401, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#    402:10   Preassigned)
 &rst
  ixpk= 402, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HN           30 THR  HN          6.00    (#    403:10   Preassigned)
 &rst
  ixpk= 403, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HA           30 THR  HN          5.00    (#    406:10   Preassigned)
 &rst
  ixpk= 406, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB3          30 THR  HN          5.00    (#    407:10   Preassigned)
 &rst
  ixpk= 407, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB2          30 THR  HN          6.00    (#    408:10   Preassigned)
 &rst
  ixpk= 408, iat= 407, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 THR  HG21         30 THR  HN          6.00    (#    409:10   Preassigned)
 &rst
  ixpk= 409, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   14 CYS  HN           13 GLU  HN          6.00    (#    412:10   Preassigned)
 &rst
  ixpk= 412, iat= 215, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 GLU  HA           13 GLU  HN          3.30    (#    414:10   Preassigned)
 &rst
  ixpk= 414, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#    415:10   Preassigned)
 &rst
  ixpk= 415, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HG1          13 GLU  HN          5.00    (#    416:10   Preassigned)
 &rst
  ixpk= 416, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 207, 208,
 &end
#
#   12 GLU  HB1          13 GLU  HN          3.30    (#    417:10   Preassigned)
 &rst
  ixpk= 417, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 189, 190,
 &end
#
#   42 MET  HN           43 ARG  HN          6.00    (#    419:10   Preassigned)
 &rst
  ixpk= 419, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 MET  HA           43 ARG  HN          5.00    (#    421:10   Preassigned)
 &rst
  ixpk= 421, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HA           43 ARG  HN          5.00    (#    422:10   Preassigned)
 &rst
  ixpk= 422, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HE1          43 ARG  HN          5.00    (#    423:10   Preassigned)
 &rst
  ixpk= 423, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
#   43 ARG  HB-          43 ARG  HN          5.00    (#    424:10   Preassigned)
 &rst
  ixpk= 424, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 597, 598,
 &end
#
#   43 ARG  HG1          43 ARG  HN          6.00    (#    426:10   Preassigned)
 &rst
  ixpk= 426, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 600, 601,
 &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#    428:10   Preassigned)
 &rst
  ixpk= 428, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HB1           5 GLU  HN          5.00    (#    429:10   Preassigned)
 &rst
  ixpk= 429, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#   22 ALA  HA           23 LYS  HN          3.30    (#    431:10   Preassigned)
 &rst
  ixpk= 431, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#    432:10   Preassigned)
 &rst
  ixpk= 432, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          23 LYS  HN          6.00    (#    434:10   Preassigned)
 &rst
  ixpk= 434, iat= 258, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HB2          23 LYS  HN          6.00    (#    436:10   Preassigned)
 &rst
  ixpk= 436, iat= 257, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 LYS  QB           23 LYS  HN          3.30    (#    438:10   Preassigned)
 &rst
  ixpk= 438, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#    439:10   Preassigned)
 &rst
  ixpk= 439, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#   22 ALA  HB1          23 LYS  HN          5.00    (#    440:10   Preassigned)
 &rst
  ixpk= 440, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#    441:10   Preassigned)
 &rst
  ixpk= 441, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   68 ASN  HN           69 LYS  HN          5.00    (#    442:10   Preassigned)
 &rst
  ixpk= 442, iat= 971, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HN           69 LYS  HN          5.00    (#    443:10   Preassigned)
 &rst
  ixpk= 443, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#    445:10   Preassigned)
 &rst
  ixpk= 445, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#    446:10   Preassigned)
 &rst
  ixpk= 446, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           69 LYS  HN          6.00    (#    447:10   Preassigned)
 &rst
  ixpk= 447, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 CYS  HB3          69 LYS  HN          6.00    (#    448:10   Preassigned)
 &rst
  ixpk= 448, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#    449:10   Preassigned)
 &rst
  ixpk= 449, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB2          69 LYS  HN          5.00    (#    450:10   Preassigned)
 &rst
  ixpk= 450, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#    451:10   Preassigned)
 &rst
  ixpk= 451, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          69 LYS  HN          6.00    (#    452:10   Preassigned)
 &rst
  ixpk= 452, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 992, 993,
 &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#    454:10   Preassigned)
 &rst
  ixpk= 454, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          6.00    (#    455:10   Preassigned)
 &rst
  ixpk= 455, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HA           16 VAL  HN          6.00    (#    456:10   Preassigned)
 &rst
  ixpk= 456, iat= 217, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HA           16 VAL  HN          5.00    (#    457:10   Preassigned)
 &rst
  ixpk= 457, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          16 VAL  HN          6.00    (#    458:10   Preassigned)
 &rst
  ixpk= 458, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HB2          16 VAL  HN          6.00    (#    459:10   Preassigned)
 &rst
  ixpk= 459, iat= 219, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           16 VAL  HN          3.30    (#    460:10   Preassigned)
 &rst
  ixpk= 460, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   16 VAL  MG1          16 VAL  HN          5.00    (#    462:10   Preassigned)
 &rst
  ixpk= 462, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 243, 244, 245,
 &end
#
#   17 CYS  HA           16 VAL  HN          6.00    (#    463:10   Preassigned)
 &rst
  ixpk= 463, iat= 255, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           77 GLU  HN          3.30    (#    464:10   Preassigned)
 &rst
  ixpk= 464, iat=1091,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#    465:10   Preassigned)
 &rst
  ixpk= 465, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          5.00    (#    466:10   Preassigned)
 &rst
  ixpk= 466, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          77 GLU  HN          5.00    (#    468:10   Preassigned)
 &rst
  ixpk= 468, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   49 VAL  HA           50 GLN  HN          3.30    (#    471:10   Preassigned)
 &rst
  ixpk= 471, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   50 GLN  HB+          50 GLN  HN          5.00    (#    472:10   Preassigned)
 &rst
  ixpk= 472, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 711, 712,
 &end
#
#   50 GLN  HB-          50 GLN  HN          5.00    (#    473:10   Preassigned)
 &rst
  ixpk= 473, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 711, 712,
 &end
#
#   49 VAL  MG2          50 GLN  HN          5.00    (#    474:10   Preassigned)
 &rst
  ixpk= 474, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#    476:10   Preassigned)
 &rst
  ixpk= 476, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    6 ILE  HA            6 ILE  HN          6.00    (#    477:10   Preassigned)
 &rst
  ixpk= 477, iat=  78,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ILE  HG11          6 ILE  HN          5.00    (#    479:10   Preassigned)
 &rst
  ixpk= 479, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    6 ILE  HG12          6 ILE  HN          5.00    (#    480:10   Preassigned)
 &rst
  ixpk= 480, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    6 ILE  HD11          6 ILE  HN          6.00    (#    481:10   Preassigned)
 &rst
  ixpk= 481, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  89,  90,  91,
 &end
#
#   63 ILE  HA           63 ILE  HN          5.00    (#    482:10   Preassigned)
 &rst
  ixpk= 482, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           63 ILE  HN          6.00    (#    483:10   Preassigned)
 &rst
  ixpk= 483, iat= 875, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HB2          63 ILE  HN          5.00    (#    486:10   Preassigned)
 &rst
  ixpk= 486, iat= 879, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         63 ILE  HN          5.00    (#    487:10   Preassigned)
 &rst
  ixpk= 487, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   43 ARG  HN           42 MET  HN          6.00    (#    489:10   Preassigned)
 &rst
  ixpk= 489, iat= 593, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 GLN  HN           42 MET  HN          5.00    (#    490:10   Preassigned)
 &rst
  ixpk= 490, iat= 707, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#    491:10   Preassigned)
 &rst
  ixpk= 491, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   42 MET  HA           42 MET  HN          5.00    (#    492:10   Preassigned)
 &rst
  ixpk= 492, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HG1          42 MET  HN          5.00    (#    493:10   Preassigned)
 &rst
  ixpk= 493, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 581, 582,
 &end
#
#   41 GLN  HG2          42 MET  HN          5.00    (#    494:10   Preassigned)
 &rst
  ixpk= 494, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   40 VAL  MG1          42 MET  HN          6.00    (#    497:10   Preassigned)
 &rst
  ixpk= 497, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   11 LEU  HA           11 LEU  HN          5.00    (#    498:10   Preassigned)
 &rst
  ixpk= 498, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           11 LEU  HN          5.00    (#    500:10   Preassigned)
 &rst
  ixpk= 500, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HB3          11 LEU  HN          5.00    (#    503:10   Preassigned)
 &rst
  ixpk= 503, iat= 171, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HD11         11 LEU  HN          5.00    (#    504:10   Preassigned)
 &rst
  ixpk= 504, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 175, 176, 177,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#    507:10   Preassigned)
 &rst
  ixpk= 507, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          5.00    (#    508:10   Preassigned)
 &rst
  ixpk= 508, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HN          5.00    (#    509:10   Preassigned)
 &rst
  ixpk= 509, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 PRO  HG1          67 CYS  HN          5.00    (#    510:10   Preassigned)
 &rst
  ixpk= 510, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 951, 952,
 &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#    511:10   Preassigned)
 &rst
  ixpk= 511, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#    512:10   Preassigned)
 &rst
  ixpk= 512, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   78 ARG  HA           79 SER  HN          3.30    (#    514:10   Preassigned)
 &rst
  ixpk= 514, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HA           79 SER  HN          5.00    (#    515:10   Preassigned)
 &rst
  ixpk= 515, iat=1146,1144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#    516:10   Preassigned)
 &rst
  ixpk= 516, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HG1          79 SER  HN          5.00    (#    517:10   Preassigned)
 &rst
  ixpk= 517, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1127,1128,
 &end
#
#   78 ARG  HB-          79 SER  HN          5.00    (#    518:10   Preassigned)
 &rst
  ixpk= 518, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   47 PHE  HN           48 ALA  HN          6.00    (#    519:10   Preassigned)
 &rst
  ixpk= 519, iat= 661, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#    521:10   Preassigned)
 &rst
  ixpk= 521, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          48 ALA  HN          6.00    (#    522:10   Preassigned)
 &rst
  ixpk= 522, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          5.00    (#    523:10   Preassigned)
 &rst
  ixpk= 523, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   43 ARG  HA           44 GLN  HN          5.00    (#    526:10   Preassigned)
 &rst
  ixpk= 526, iat= 595, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           44 GLN  HN          6.00    (#    527:10   Preassigned)
 &rst
  ixpk= 527, iat= 619, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 GLN  HB2          44 GLN  HN          5.00    (#    529:10   Preassigned)
 &rst
  ixpk= 529, iat= 621, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ARG  HB+          44 GLN  HN          5.00    (#    530:10   Preassigned)
 &rst
  ixpk= 530, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 597, 598,
 &end
#
#   43 ARG  HG1          44 GLN  HN          6.00    (#    532:10   Preassigned)
 &rst
  ixpk= 532, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 600, 601,
 &end
#
#   10 THR  HN           78 ARG  HN          6.00    (#    533:10   Preassigned)
 &rst
  ixpk= 533, iat= 152,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 SER  HN           78 ARG  HN          6.00    (#    534:10   Preassigned)
 &rst
  ixpk= 534, iat=1144,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#    537:10   Preassigned)
 &rst
  ixpk= 537, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HG1          78 ARG  HN          5.00    (#    538:10   Preassigned)
 &rst
  ixpk= 538, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#    541:10   Preassigned)
 &rst
  ixpk= 541, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          6.00    (#    542:10   Preassigned)
 &rst
  ixpk= 542, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 179, 180, 181,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#    543:10   Preassigned)
 &rst
  ixpk= 543, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#    544:10   Preassigned)
 &rst
  ixpk= 544, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#    546:10   Preassigned)
 &rst
  ixpk= 546, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#    547:10   Preassigned)
 &rst
  ixpk= 547, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           55 HIS  HN          6.00    (#    548:10   Preassigned)
 &rst
  ixpk= 548, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#    549:10   Preassigned)
 &rst
  ixpk= 549, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#    551:10   Preassigned)
 &rst
  ixpk= 551, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   53 CYS  HB1          55 HIS  HN          6.00    (#    552:10   Preassigned)
 &rst
  ixpk= 552, iat= 760, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#    553:10   Preassigned)
 &rst
  ixpk= 553, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HB2          55 HIS  HN          5.00    (#    554:10   Preassigned)
 &rst
  ixpk= 554, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 772, 773,
 &end
#
#   54 PRO  HG1          55 HIS  HN          5.00    (#    555:10   Preassigned)
 &rst
  ixpk= 555, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          6.00    (#    556:10   Preassigned)
 &rst
  ixpk= 556, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#    558:10   Preassigned)
 &rst
  ixpk= 558, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           22 ALA  HN          6.00    (#    560:10   Preassigned)
 &rst
  ixpk= 560, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 ALA  HA           22 ALA  HN          5.00    (#    563:10   Preassigned)
 &rst
  ixpk= 563, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           22 ALA  HN          6.00    (#    564:10   Preassigned)
 &rst
  ixpk= 564, iat= 289, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HB3          22 ALA  HN          5.00    (#    565:10   Preassigned)
 &rst
  ixpk= 565, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA1          22 ALA  HN          5.00    (#    566:10   Preassigned)
 &rst
  ixpk= 566, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB3          22 ALA  HN          5.00    (#    567:10   Preassigned)
 &rst
  ixpk= 567, iat= 258, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2          22 ALA  HN          5.00    (#    568:10   Preassigned)
 &rst
  ixpk= 568, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#    569:10   Preassigned)
 &rst
  ixpk= 569, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         22 ALA  HN          6.00    (#    572:10   Preassigned)
 &rst
  ixpk= 572, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         22 ALA  HN          6.00    (#    573:10   Preassigned)
 &rst
  ixpk= 573, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 &end
#
#    7 ARG  HA            8 ILE  HN          3.30    (#    575:10   Preassigned)
 &rst
  ixpk= 575, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    8 ILE  HB            8 ILE  HN          5.00    (#    576:10   Preassigned)
 &rst
  ixpk= 576, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 ARG  HG1           8 ILE  HN          5.00    (#    578:10   Preassigned)
 &rst
  ixpk= 578, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 102, 103,
 &end
#
#    8 ILE  HG12          8 ILE  HN          5.00    (#    579:10   Preassigned)
 &rst
  ixpk= 579, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    6 ILE  HG21          8 ILE  HN          5.00    (#    580:10   Preassigned)
 &rst
  ixpk= 580, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  82,  83,  84,
 &end
#
#   69 LYS  HN           68 ASN  HN          5.00    (#    581:10   Preassigned)
 &rst
  ixpk= 581, iat= 985, 971, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           68 ASN  HN          5.00    (#    583:10   Preassigned)
 &rst
  ixpk= 583, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           68 ASN  HN          5.00    (#    585:10   Preassigned)
 &rst
  ixpk= 585, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#    586:10   Preassigned)
 &rst
  ixpk= 586, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    7 ARG  HA            7 ARG  HN          6.00    (#    590:10   Preassigned)
 &rst
  ixpk= 590, iat=  97,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ILE  HA            7 ARG  HN          5.00    (#    591:10   Preassigned)
 &rst
  ixpk= 591, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HG11          7 ARG  HN          6.00    (#    593:10   Preassigned)
 &rst
  ixpk= 593, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  86,  87,
 &end
#
#    6 ILE  HG21          7 ARG  HN          6.00    (#    594:10   Preassigned)
 &rst
  ixpk= 594, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  82,  83,  84,
 &end
#
#   65 ASP  HN           64 LYS  HN          5.00    (#    596:10   Preassigned)
 &rst
  ixpk= 596, iat= 935, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HA           64 LYS  HN          5.00    (#    597:10   Preassigned)
 &rst
  ixpk= 597, iat= 915, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           64 LYS  HN          5.00    (#    598:10   Preassigned)
 &rst
  ixpk= 598, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HB+          64 LYS  HN          5.00    (#    599:10   Preassigned)
 &rst
  ixpk= 599, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#   64 LYS  HG1          64 LYS  HN          6.00    (#    600:10   Preassigned)
 &rst
  ixpk= 600, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 920, 921,
 &end
#
#   63 ILE  HD11         64 LYS  HN          6.00    (#    601:10   Preassigned)
 &rst
  ixpk= 601, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         64 LYS  HN          5.00    (#    602:10   Preassigned)
 &rst
  ixpk= 602, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   14 CYS  HN           15 ASP  HN          6.00    (#    603:10   Preassigned)
 &rst
  ixpk= 603, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HN           15 ASP  HN          6.00    (#    604:10   Preassigned)
 &rst
  ixpk= 604, iat= 253, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#    605:10   Preassigned)
 &rst
  ixpk= 605, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          15 ASP  HN          5.00    (#    607:10   Preassigned)
 &rst
  ixpk= 607, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#    608:10   Preassigned)
 &rst
  ixpk= 608, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#    609:10   Preassigned)
 &rst
  ixpk= 609, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          15 ASP  HN          5.00    (#    610:10   Preassigned)
 &rst
  ixpk= 610, iat= 219, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HB2          15 ASP  HN          5.00    (#    611:10   Preassigned)
 &rst
  ixpk= 611, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#    612:10   Preassigned)
 &rst
  ixpk= 612, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           14 CYS  HN          6.00    (#    624:10   Preassigned)
 &rst
  ixpk= 624, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLU  HN           14 CYS  HN          6.00    (#    625:10   Preassigned)
 &rst
  ixpk= 625, iat= 200, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#    626:10   Preassigned)
 &rst
  ixpk= 626, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#    628:10   Preassigned)
 &rst
  ixpk= 628, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HA           14 CYS  HN          5.00    (#    629:10   Preassigned)
 &rst
  ixpk= 629, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA2          14 CYS  HN          6.00    (#    630:10   Preassigned)
 &rst
  ixpk= 630, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1060,1061,
 &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#    631:10   Preassigned)
 &rst
  ixpk= 631, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB3          14 CYS  HN          6.00    (#    634:10   Preassigned)
 &rst
  ixpk= 634, iat=1070, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          14 CYS  HN          6.00    (#    635:10   Preassigned)
 &rst
  ixpk= 635, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   72 GLY  HN           74 GLY  HN          6.00    (#    677:10   Preassigned)
 &rst
  ixpk= 677, iat=1034,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 THR  HA           31 CYS  HN          3.30    (#   5390:19   Unique)
 &rst
  ixpk= 5390, iat= 863, 434, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   31 CYS  HA           31 CYS  HN          5.00    (#   5392:19   Unique)
 &rst
  ixpk= 5392, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HA           31 CYS  HN          2.70    (#   5393:19   Unique)
 &rst
  ixpk= 5393, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB3          31 CYS  HN          5.00    (#   5394:19   Unique)
 &rst
  ixpk= 5394, iat= 439, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          5.00    (#   5395:19   Unique)
 &rst
  ixpk= 5395, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         31 CYS  HN          5.00    (#   5396:19   Unique)
 &rst
  ixpk= 5396, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           31 CYS  HN          6.00    (#   5505:19   Unique)
 &rst
  ixpk= 5505, iat= 875, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  HN           53 CYS  HN          5.00    (#   5638:19   Unique)
 &rst
  ixpk= 5638, iat= 541, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          53 CYS  HN          5.00    (#   5641:19   Unique)
 &rst
  ixpk= 5641, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   53 CYS  HA           53 CYS  HN          5.00    (#   5642:19   Unique)
 &rst
  ixpk= 5642, iat= 757, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:5644    53 CYS  HN          5.00    (#   5644:19   Single Ambig)
 &rst
  ixpk= 5644, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB1          53 CYS  HN          5.00    (#   5645:19   Unique)
 &rst
  ixpk= 5645, iat= 760, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:5646    53 CYS  HN          8.00    (#   5646:19   Single Ambig)
 &rst
  ixpk= 5646, iat= 438, 755, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 THR  HG21         53 CYS  HN          5.00    (#   5647:19   Unique)
 &rst
  ixpk= 5647, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   40 VAL  MG1          53 CYS  HN          6.00    (#   5648:19   Unique)
 &rst
  ixpk= 5648, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   39 GLN  HA           53 CYS  HN          5.00    (#   5770:19   Unique)
 &rst
  ixpk= 5770, iat= 526, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HA           53 CYS  HN          3.30    (#   5771:19   Unique)
 &rst
  ixpk= 5771, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HB2          53 CYS  HN          3.30    (#   5773:19   Unique)
 &rst
  ixpk= 5773, iat= 759, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  HN           14 CYS  HN          5.00    (#   6058:19   Unique)
 &rst
  ixpk= 6058, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#   6060:19   Unique)
 &rst
  ixpk= 6060, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#   6062:19   Unique)
 &rst
  ixpk= 6062, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#   6063:19   Unique)
 &rst
  ixpk= 6063, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6064    14 CYS  HN          3.30    (#   6064:19   Single Ambig)
 &rst
  ixpk= 6064, iat= 219, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   13 GLU  HB2          14 CYS  HN          5.00    (#   6065:19   Unique)
 &rst
  ixpk= 6065, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#   6313:19   Unique)
 &rst
  ixpk= 6313, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HA           15 ASP  HN          3.30    (#   6314:19   Unique)
 &rst
  ixpk= 6314, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#   6316:19   Unique)
 &rst
  ixpk= 6316, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#   6317:19   Unique)
 &rst
  ixpk= 6317, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6452    15 ASP  HN          5.00    (#   6452:19   Single Ambig)
 &rst
  ixpk= 6452, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 207, 208, 219,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#   6453:19   Unique)
 &rst
  ixpk= 6453, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  19-2:6454    64 LYS  HN          5.00    (#   6454:19   Single Ambig)
 &rst
  ixpk= 6454, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   63 ILE  HA           64 LYS  HN          3.30    (#   6456:19   Unique)
 &rst
  ixpk= 6456, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   64 LYS  HB-          64 LYS  HN          5.00    (#   6457:19   Unique)
 &rst
  ixpk= 6457, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 917, 918,
 &end
#
#    6 ILE  HA            7 ARG  HN          3.30    (#   6679:19   Unique)
 &rst
  ixpk= 6679, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:6680     7 ARG  HN          6.00    (#   6680:19   Single Ambig)
 &rst
  ixpk= 6680, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,  86,  87,
 &end
#
#   67 CYS  HA           68 ASN  HN          3.30    (#   6917:19   Unique)
 &rst
  ixpk= 6917, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#   6918:19   Unique)
 &rst
  ixpk= 6918, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    7 ARG  HA            8 ILE  HN          3.30    (#   6920:19   Unique)
 &rst
  ixpk= 6920, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:6921     8 ILE  HN          5.00    (#   6921:19   Single Ambig)
 &rst
  ixpk= 6921, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:6922     8 ILE  HN          5.00    (#   6922:19   Single Ambig)
 &rst
  ixpk= 6922, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    0 AMB  19-2:6923     8 ILE  HN          5.00    (#   6923:19   Single Ambig)
 &rst
  ixpk= 6923, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 129, 130,
 &end
#
#    0 AMB  19-2:6924     8 ILE  HN          5.00    (#   6924:19   Single Ambig)
 &rst
  ixpk= 6924, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#   7011:19   Unique)
 &rst
  ixpk= 7011, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#   7012:19   Unique)
 &rst
  ixpk= 7012, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#   7013:19   Unique)
 &rst
  ixpk= 7013, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#   7014:19   Unique)
 &rst
  ixpk= 7014, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           55 HIS  HN          6.00    (#   7015:19   Unique)
 &rst
  ixpk= 7015, iat= 757, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#   7016:19   Unique)
 &rst
  ixpk= 7016, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HD2          55 HIS  HN          5.00    (#   7017:19   Unique)
 &rst
  ixpk= 7017, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#   7018:19   Unique)
 &rst
  ixpk= 7018, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#   7019:19   Unique)
 &rst
  ixpk= 7019, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7020    55 HIS  HN          5.00    (#   7020:19   Single Ambig)
 &rst
  ixpk= 7020, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 769, 770, 772, 773,
 &end
#
#   54 PRO  HG2          55 HIS  HN          5.00    (#   7021:19   Unique)
 &rst
  ixpk= 7021, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          6.00    (#   7022:19   Unique)
 &rst
  ixpk= 7022, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  19-2:7030    78 ARG  HN          3.30    (#   7030:19   Single Ambig)
 &rst
  ixpk= 7030, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#   7031:19   Unique)
 &rst
  ixpk= 7031, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7032    78 ARG  HN          5.00    (#   7032:19   Single Ambig)
 &rst
  ixpk= 7032, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 192, 193,1112,1113,
 &end
#
#   78 ARG  HB+          78 ARG  HN          3.30    (#   7033:19   Unique)
 &rst
  ixpk= 7033, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1124,1125,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#   7034:19   Unique)
 &rst
  ixpk= 7034, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          5.00    (#   7035:19   Unique)
 &rst
  ixpk= 7035, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#   7041:19   Unique)
 &rst
  ixpk= 7041, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           22 ALA  HN          6.00    (#   7044:19   Unique)
 &rst
  ixpk= 7044, iat= 294, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HA           22 ALA  HN          5.00    (#   7045:19   Unique)
 &rst
  ixpk= 7045, iat= 255, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7046    22 ALA  HN          5.00    (#   7046:19   Single Ambig)
 &rst
  ixpk= 7046, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 300, 301, 291,
 &end
#
#   17 CYS  HB3          22 ALA  HN          5.00    (#   7047:19   Unique)
 &rst
  ixpk= 7047, iat= 258, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 GLY  HA2           0 AMB  19-1:7048   5.00    (#   7048:19   Single Ambig)
 &rst
  ixpk= 7048, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#   7049:19   Unique)
 &rst
  ixpk= 7049, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          22 ALA  HN          3.30    (#   7050:19   Unique)
 &rst
  ixpk= 7050, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HN          5.00    (#   7051:19   Unique)
 &rst
  ixpk= 7051, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   44 GLN  HG1          44 GLN  HN          6.00    (#   7210:19   Unique)
 &rst
  ixpk= 7210, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 624, 625,
 &end
#
#    0 AMB  19-2:7211    44 GLN  HN          5.00    (#   7211:19   Single Ambig)
 &rst
  ixpk= 7211, iat= 621, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7212    44 GLN  HN          5.00    (#   7212:19   Single Ambig)
 &rst
  ixpk= 7212, iat= 622, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#   7219:19   Unique)
 &rst
  ixpk= 7219, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          48 ALA  HN          6.00    (#   7220:19   Unique)
 &rst
  ixpk= 7220, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          3.30    (#   7222:19   Unique)
 &rst
  ixpk= 7222, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 685, 686, 687,
 &end
#
#   77 GLU  HN           79 SER  HN          6.00    (#   7224:19   Unique)
 &rst
  ixpk= 7224, iat=1105,1144, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ARG  HA           79 SER  HN          3.30    (#   7233:19   Unique)
 &rst
  ixpk= 7233, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#   7234:19   Unique)
 &rst
  ixpk= 7234, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HB+          79 SER  HN          5.00    (#   7236:19   Unique)
 &rst
  ixpk= 7236, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   23 LYS  HA           67 CYS  HN          5.00    (#   7238:19   Unique)
 &rst
  ixpk= 7238, iat= 317, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#   7239:19   Unique)
 &rst
  ixpk= 7239, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   72 GLY  HA1          67 CYS  HN          5.00    (#   7241:19   Unique)
 &rst
  ixpk= 7241, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:7242    67 CYS  HN          3.30    (#   7242:19   Single Ambig)
 &rst
  ixpk= 7242, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 957, 307,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#   7243:19   Unique)
 &rst
  ixpk= 7243, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          3.30    (#   7244:19   Unique)
 &rst
  ixpk= 7244, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 CYS  HB2          67 CYS  HN          3.30    (#   7245:19   Unique)
 &rst
  ixpk= 7245, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#   7246:19   Unique)
 &rst
  ixpk= 7246, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#    0 AMB  19-2:7417    42 MET  HN          5.00    (#   7417:19   Single Ambig)
 &rst
  ixpk= 7417, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 691, 557,
 &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#   7418:19   Unique)
 &rst
  ixpk= 7418, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7419    42 MET  HN          5.00    (#   7419:19   Single Ambig)
 &rst
  ixpk= 7419, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 581, 582, 581, 582,
 &end
#
#   41 GLN  HG1          42 MET  HN          5.00    (#   7420:19   Unique)
 &rst
  ixpk= 7420, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  19-2:7421    42 MET  HN          7.00    (#   7421:19   Single Ambig)
 &rst
  ixpk= 7421, iat= 728, 574, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10 THR  HA           11 LEU  HN          3.30    (#   7426:19   Unique)
 &rst
  ixpk= 7426, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HB2          11 LEU  HN          5.00    (#   7427:19   Unique)
 &rst
  ixpk= 7427, iat= 170, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HG           11 LEU  HN          5.00    (#   7428:19   Unique)
 &rst
  ixpk= 7428, iat= 173, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7429    11 LEU  HN          5.00    (#   7429:19   Single Ambig)
 &rst
  ixpk= 7429, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 171, 158, 159, 160,
 &end
#
#   11 LEU  HD21         11 LEU  HN          5.00    (#   7430:19   Unique)
 &rst
  ixpk= 7430, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   69 LYS  HB2          69 LYS  HN          3.30    (#   7620:19   Unique)
 &rst
  ixpk= 7620, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   69 LYS  HG2          69 LYS  HN          5.00    (#   7621:19   Unique)
 &rst
  ixpk= 7621, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#    0 AMB  19-2:7622    69 LYS  HN          5.00    (#   7622:19   Single Ambig)
 &rst
  ixpk= 7622, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#    0 AMB  19-2:7624     0 AMB  19-1:7624   5.00    (#   7624:19   Double Ambig)
 &rst
  ixpk= 7624, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   63 ILE  HA           63 ILE  HN          5.00    (#   7625:19   Unique)
 &rst
  ixpk= 7625, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7626    63 ILE  HN          5.00    (#   7626:19   Single Ambig)
 &rst
  ixpk= 7626, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 GLY  HA1          46 PHE  HN          6.00    (#   7628:19   Unique)
 &rst
  ixpk= 7628, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 636, 637,
 &end
#
#    6 ILE  HD11          6 ILE  HN          5.00    (#   7637:19   Unique)
 &rst
  ixpk= 7637, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  89,  90,  91,
 &end
#
#   70 CYS  HN           69 LYS  HN          3.30    (#   7775:19   Unique)
 &rst
  ixpk= 7775, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#   7776:19   Unique)
 &rst
  ixpk= 7776, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#   7777:19   Unique)
 &rst
  ixpk= 7777, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#   7779:19   Unique)
 &rst
  ixpk= 7779, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#   7780:19   Unique)
 &rst
  ixpk= 7780, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#   7784:19   Unique)
 &rst
  ixpk= 7784, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          5.00    (#   7785:19   Unique)
 &rst
  ixpk= 7785, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           16 VAL  HN          5.00    (#   7786:19   Unique)
 &rst
  ixpk= 7786, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7789    16 VAL  HN          3.30    (#   7789:19   Single Ambig)
 &rst
  ixpk= 7789, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HB           16 VAL  HN          2.70    (#   7790:19   Unique)
 &rst
  ixpk= 7790, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  HN           77 GLU  HN          5.00    (#   7791:19   Unique)
 &rst
  ixpk= 7791, iat=1089,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HA           77 GLU  HN          2.70    (#   7794:19   Unique)
 &rst
  ixpk= 7794, iat=1091,1105, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#   7795:19   Unique)
 &rst
  ixpk= 7795, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          3.30    (#   7796:19   Unique)
 &rst
  ixpk= 7796, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7797     0 AMB  19-1:7797   3.30    (#   7797:19   Double Ambig)
 &rst
  ixpk= 7797, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HN          3.30    (#   7798:19   Unique)
 &rst
  ixpk= 7798, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:7799    63 ILE  HN          5.00    (#   7799:19   Single Ambig)
 &rst
  ixpk= 7799, iat= 879, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HN           50 GLN  HN          6.00    (#   7800:19   Unique)
 &rst
  ixpk= 7800, iat= 724, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:7803    50 GLN  HN          5.00    (#   7803:19   Single Ambig)
 &rst
  ixpk= 7803, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  19-2:7804    50 GLN  HN          5.00    (#   7804:19   Single Ambig)
 &rst
  ixpk= 7804, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 711, 712,
 &end
#
#    0 AMB  19-2:7806    50 GLN  HN          5.00    (#   7806:19   Single Ambig)
 &rst
  ixpk= 7806, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#   7810:19   Unique)
 &rst
  ixpk= 7810, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    5 GLU  HB1           6 ILE  HN          5.00    (#   7811:19   Unique)
 &rst
  ixpk= 7811, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    0 AMB  19-2:7812     6 ILE  HN          5.00    (#   7812:19   Single Ambig)
 &rst
  ixpk= 7812, iat=  80,  76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HA           43 ARG  HN          3.30    (#   7975:19   Unique)
 &rst
  ixpk= 7975, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#   7978:19   Unique)
 &rst
  ixpk= 7978, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:7985    23 LYS  HN          3.30    (#   7985:19   Single Ambig)
 &rst
  ixpk= 7985, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 307, 957,
 &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#   7986:19   Unique)
 &rst
  ixpk= 7986, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           23 LYS  HN          5.00    (#   7987:19   Unique)
 &rst
  ixpk= 7987, iat= 963, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           23 LYS  HN          2.70    (#   7990:19   Unique)
 &rst
  ixpk= 7990, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#   7991:19   Unique)
 &rst
  ixpk= 7991, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  19-2:7992    23 LYS  HN          5.00    (#   7992:19   Single Ambig)
 &rst
  ixpk= 7992, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#   7993:19   Unique)
 &rst
  ixpk= 7993, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#   8129:19   Unique)
 &rst
  ixpk= 8129, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8130    13 GLU  HN          2.70    (#   8130:19   Single Ambig)
 &rst
  ixpk= 8130, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 204, 205, 189, 190,
 &end
#
#   12 GLU  HA           13 GLU  HN          2.70    (#   8131:19   Unique)
 &rst
  ixpk= 8131, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:8274    51 GLN  HN          5.00    (#   8274:19   Single Ambig)
 &rst
  ixpk= 8274, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 707, 741,
 &end
#
#   50 GLN  HA           51 GLN  HN          2.70    (#   8275:19   Unique)
 &rst
  ixpk= 8275, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:8276    51 GLN  HN          5.00    (#   8276:19   Single Ambig)
 &rst
  ixpk= 8276, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 564, 565,
 &end
#
#    0 AMB  19-2:8277    51 GLN  HN          5.00    (#   8277:19   Single Ambig)
 &rst
  ixpk= 8277, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 578, 579,
 &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#   8278:19   Unique)
 &rst
  ixpk= 8278, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:8279    51 GLN  HN          3.30    (#   8279:19   Single Ambig)
 &rst
  ixpk= 8279, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 711, 712, 728, 528,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#   8282:19   Unique)
 &rst
  ixpk= 8282, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HA           30 THR  HN          3.30    (#   8285:19   Unique)
 &rst
  ixpk= 8285, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   30 THR  HB           30 THR  HN          3.30    (#   8286:19   Unique)
 &rst
  ixpk= 8286, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HB1          30 THR  HN          5.00    (#   8287:19   Unique)
 &rst
  ixpk= 8287, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   30 THR  HG21         30 THR  HN          5.00    (#   8289:19   Unique)
 &rst
  ixpk= 8289, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#   8429:19   Unique)
 &rst
  ixpk= 8429, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          2.70    (#   8430:19   Unique)
 &rst
  ixpk= 8430, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 GLN  HG2          29 GLN  HN          5.00    (#   8431:19   Unique)
 &rst
  ixpk= 8431, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#   62 LEU  HB2          29 GLN  HN          5.00    (#   8432:19   Unique)
 &rst
  ixpk= 8432, iat= 879, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HA           12 GLU  HN          2.70    (#   8585:19   Unique)
 &rst
  ixpk= 8585, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#   8586:19   Unique)
 &rst
  ixpk= 8586, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8587    12 GLU  HN          5.00    (#   8587:19   Single Ambig)
 &rst
  ixpk= 8587, iat=1107, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#   8588:19   Unique)
 &rst
  ixpk= 8588, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#   77 GLU  HB1          12 GLU  HN          6.00    (#   8589:19   Unique)
 &rst
  ixpk= 8589, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1109,1110,
 &end
#
#   12 GLU  HB2          12 GLU  HN          5.00    (#   8590:19   Unique)
 &rst
  ixpk= 8590, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#    0 AMB  19-2:8591    12 GLU  HN          5.00    (#   8591:19   Single Ambig)
 &rst
  ixpk= 8591, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 170,1069,1124,1125,
 &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#   8592:19   Unique)
 &rst
  ixpk= 8592, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          12 GLU  HN          5.00    (#   8593:19   Unique)
 &rst
  ixpk= 8593, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#   8594:19   Unique)
 &rst
  ixpk= 8594, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   29 GLN  HB1          29 GLN  HN          5.00    (#   8597:19   Unique)
 &rst
  ixpk= 8597, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#   8604:19   Unique)
 &rst
  ixpk= 8604, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          3.30    (#   8605:19   Unique)
 &rst
  ixpk= 8605, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:8606    59 ARG  HN          6.00    (#   8606:19   Single Ambig)
 &rst
  ixpk= 8606, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 843, 861,
 &end
#
#   59 ARG  HA           59 ARG  HN          5.00    (#   8607:19   Unique)
 &rst
  ixpk= 8607, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:8608    59 ARG  HN          5.00    (#   8608:19   Single Ambig)
 &rst
  ixpk= 8608, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 800, 840, 841,
 &end
#
#   56 CYS  HB1          59 ARG  HN          6.00    (#   8609:19   Unique)
 &rst
  ixpk= 8609, iat= 801, 830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#   8611:19   Unique)
 &rst
  ixpk= 8611, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          5.00    (#   8612:19   Unique)
 &rst
  ixpk= 8612, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#   8613:19   Unique)
 &rst
  ixpk= 8613, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  19-2:8821    33 THR  HN          3.30    (#   8821:19   Single Ambig)
 &rst
  ixpk= 8821, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 472, 482,
 &end
#
#    0 AMB  19-2:8823    33 THR  HN          5.00    (#   8823:19   Single Ambig)
 &rst
  ixpk= 8823, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           33 THR  HN          3.30    (#   8824:19   Unique)
 &rst
  ixpk= 8824, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           33 THR  HN          5.00    (#   8825:19   Unique)
 &rst
  ixpk= 8825, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          33 THR  HN          5.00    (#   8826:19   Unique)
 &rst
  ixpk= 8826, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#   8827:19   Unique)
 &rst
  ixpk= 8827, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  19-2:8829    41 GLN  HN          5.00    (#   8829:19   Single Ambig)
 &rst
  ixpk= 8829, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 541,
 &end
#
#   40 VAL  HA           41 GLN  HN          2.70    (#   8832:19   Unique)
 &rst
  ixpk= 8832, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#   8833:19   Unique)
 &rst
  ixpk= 8833, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          5.00    (#   8834:19   Unique)
 &rst
  ixpk= 8834, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#   8835:19   Unique)
 &rst
  ixpk= 8835, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#   8836:19   Unique)
 &rst
  ixpk= 8836, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#   9117:19   Unique)
 &rst
  ixpk= 9117, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#   9121:19   Unique)
 &rst
  ixpk= 9121, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9122    39 GLN  HN          5.00    (#   9122:19   Single Ambig)
 &rst
  ixpk= 9122, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 510, 511, 519, 520,
 &end
#
#   34 CYS  HB3          39 GLN  HN          3.30    (#   9123:19   Unique)
 &rst
  ixpk= 9123, iat= 477, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HG1          39 GLN  HN          5.00    (#   9124:19   Unique)
 &rst
  ixpk= 9124, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#    0 AMB  19-2:9125    39 GLN  HN          5.00    (#   9125:19   Single Ambig)
 &rst
  ixpk= 9125, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#   9128:19   Unique)
 &rst
  ixpk= 9128, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HB2          39 GLN  HN          5.00    (#   9129:19   Unique)
 &rst
  ixpk= 9129, iat= 528, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          35 HIS  HN          5.00    (#   9133:19   Unique)
 &rst
  ixpk= 9133, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#   9134:19   Unique)
 &rst
  ixpk= 9134, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#   9135:19   Unique)
 &rst
  ixpk= 9135, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#   9136:19   Unique)
 &rst
  ixpk= 9136, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#   9138:19   Unique)
 &rst
  ixpk= 9138, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9139    35 HIS  HN          2.70    (#   9139:19   Single Ambig)
 &rst
  ixpk= 9139, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  19-2:9140    35 HIS  HN          5.00    (#   9140:19   Single Ambig)
 &rst
  ixpk= 9140, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#    0 AMB  19-2:9277    62 LEU  HN          5.00    (#   9277:19   Single Ambig)
 &rst
  ixpk= 9277, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#   9278:19   Unique)
 &rst
  ixpk= 9278, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#   9279:19   Unique)
 &rst
  ixpk= 9279, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#   9280:19   Unique)
 &rst
  ixpk= 9280, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9281    62 LEU  HN          3.30    (#   9281:19   Single Ambig)
 &rst
  ixpk= 9281, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 865, 422,
 &end
#
#   29 GLN  HB1          62 LEU  HN          5.00    (#   9282:19   Unique)
 &rst
  ixpk= 9282, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#   29 GLN  HB2          62 LEU  HN          6.00    (#   9283:19   Unique)
 &rst
  ixpk= 9283, iat= 407, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 LEU  HB2          62 LEU  HN          5.00    (#   9284:19   Unique)
 &rst
  ixpk= 9284, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#   9285:19   Unique)
 &rst
  ixpk= 9285, iat= 882, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#   9286:19   Unique)
 &rst
  ixpk= 9286, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   62 LEU  HD21         62 LEU  HN          5.00    (#   9287:19   Unique)
 &rst
  ixpk= 9287, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#   9290:19   Unique)
 &rst
  ixpk= 9290, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#   9291:19   Unique)
 &rst
  ixpk= 9291, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          5.00    (#   9294:19   Unique)
 &rst
  ixpk= 9294, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           18 HIS  HN          2.70    (#   9295:19   Unique)
 &rst
  ixpk= 9295, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#   9296:19   Unique)
 &rst
  ixpk= 9296, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          18 HIS  HN          5.00    (#   9297:19   Unique)
 &rst
  ixpk= 9297, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   14 CYS  HB3          18 HIS  HN          5.00    (#   9298:19   Unique)
 &rst
  ixpk= 9298, iat= 220, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9300    18 HIS  HN          6.00    (#   9300:19   Single Ambig)
 &rst
  ixpk= 9300, iat= 241, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 LYS  HN           71 HIS  HN          6.00    (#   9302:19   Unique)
 &rst
  ixpk= 9302, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#   9305:19   Unique)
 &rst
  ixpk= 9305, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          2.70    (#   9306:19   Unique)
 &rst
  ixpk= 9306, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   71 HIS  HB-          71 HIS  HN          5.00    (#   9307:19   Unique)
 &rst
  ixpk= 9307, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1021,1022,
 &end
#
#   51 GLN  HA           52 THR  HN          2.70    (#   9511:19   Unique)
 &rst
  ixpk= 9511, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   52 THR  HA           52 THR  HN          5.00    (#   9512:19   Unique)
 &rst
  ixpk= 9512, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          5.00    (#   9513:19   Unique)
 &rst
  ixpk= 9513, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#   9514:19   Unique)
 &rst
  ixpk= 9514, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#    0 AMB  19-2:9516    49 VAL  HN          3.30    (#   9516:19   Single Ambig)
 &rst
  ixpk= 9516, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 695, 578, 579,
 &end
#
#   42 MET  HN           49 VAL  HN          5.00    (#   9517:19   Unique)
 &rst
  ixpk= 9517, iat= 574, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#   9518:19   Unique)
 &rst
  ixpk= 9518, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#   9519:19   Unique)
 &rst
  ixpk= 9519, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#   9520:19   Unique)
 &rst
  ixpk= 9520, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#   9522:19   Unique)
 &rst
  ixpk= 9522, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#   9525:19   Unique)
 &rst
  ixpk= 9525, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#   9526:19   Unique)
 &rst
  ixpk= 9526, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#   9528:19   Unique)
 &rst
  ixpk= 9528, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#   9531:19   Unique)
 &rst
  ixpk= 9531, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#   9534:19   Unique)
 &rst
  ixpk= 9534, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          6.00    (#   9535:19   Unique)
 &rst
  ixpk= 9535, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#   9537:19   Unique)
 &rst
  ixpk= 9537, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          3.30    (#   9538:19   Unique)
 &rst
  ixpk= 9538, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  19-2:9539    73 HIS  HN          2.70    (#   9539:19   Single Ambig)
 &rst
  ixpk= 9539, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          73 HIS  HN          5.00    (#   9540:19   Unique)
 &rst
  ixpk= 9540, iat=1012,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:9819    47 PHE  HN          6.00    (#   9819:19   Single Ambig)
 &rst
  ixpk= 9819, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 677,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#   9821:19   Unique)
 &rst
  ixpk= 9821, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          47 PHE  HN          3.30    (#   9822:19   Unique)
 &rst
  ixpk= 9822, iat= 665, 661, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#   9825:19   Unique)
 &rst
  ixpk= 9825, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           57 GLN  HN          5.00    (#   9829:19   Unique)
 &rst
  ixpk= 9829, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#   9830:19   Unique)
 &rst
  ixpk= 9830, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          2.70    (#   9831:19   Unique)
 &rst
  ixpk= 9831, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   53 CYS  HB1          57 GLN  HN          6.00    (#   9832:19   Unique)
 &rst
  ixpk= 9832, iat= 760, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:9833    57 GLN  HN          5.00    (#   9833:19   Single Ambig)
 &rst
  ixpk= 9833, iat= 810, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         57 GLN  HN          5.00    (#   9835:19   Unique)
 &rst
  ixpk= 9835, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   27 GLN  HA           27 GLN  HN          5.00    (#   10011:19   Unique)
 &rst
  ixpk= 10011, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#   10013:19   Unique)
 &rst
  ixpk= 10013, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#   10014:19   Unique)
 &rst
  ixpk= 10014, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#    0 AMB  19-2:10015   47 PHE  HN          5.00    (#   10015:19   Single Ambig)
 &rst
  ixpk= 10015, iat= 641, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#   10017:19   Unique)
 &rst
  ixpk= 10017, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB-          47 PHE  HN          6.00    (#   10018:19   Unique)
 &rst
  ixpk= 10018, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#   10300:19   Unique)
 &rst
  ixpk= 10300, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HN          5.00    (#   10305:19   Unique)
 &rst
  ixpk= 10305, iat= 294, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           20 SER  HN          5.00    (#   10306:19   Unique)
 &rst
  ixpk= 10306, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           20 SER  HN          5.00    (#   10307:19   Unique)
 &rst
  ixpk= 10307, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10308   20 SER  HN          5.00    (#   10308:19   Single Ambig)
 &rst
  ixpk= 10308, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 291, 300, 301,
 &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#   10309:19   Unique)
 &rst
  ixpk= 10309, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          20 SER  HN          5.00    (#   10310:19   Unique)
 &rst
  ixpk= 10310, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#   10312:19   Unique)
 &rst
  ixpk= 10312, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#   10314:19   Unique)
 &rst
  ixpk= 10314, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10315   34 CYS  HN          5.00    (#   10315:19   Single Ambig)
 &rst
  ixpk= 10315, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           34 CYS  HN          5.00    (#   10316:19   Unique)
 &rst
  ixpk= 10316, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#   10317:19   Unique)
 &rst
  ixpk= 10317, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10318   34 CYS  HN          5.00    (#   10318:19   Single Ambig)
 &rst
  ixpk= 10318, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 760,
 &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#   10319:19   Unique)
 &rst
  ixpk= 10319, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#   10321:19   Unique)
 &rst
  ixpk= 10321, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#   10452:19   Unique)
 &rst
  ixpk= 10452, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#   10453:19   Unique)
 &rst
  ixpk= 10453, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#   10458:19   Unique)
 &rst
  ixpk= 10458, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  19-2:10459   37 SER  HN          5.00    (#   10459:19   Single Ambig)
 &rst
  ixpk= 10459, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#   10460:19   Unique)
 &rst
  ixpk= 10460, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#    0 AMB  19-2:10461   37 SER  HN          5.00    (#   10461:19   Single Ambig)
 &rst
  ixpk= 10461, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 486,
 &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#   10466:19   Unique)
 &rst
  ixpk= 10466, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          6.00    (#   10467:19   Unique)
 &rst
  ixpk= 10467, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#   10472:19   Unique)
 &rst
  ixpk= 10472, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10473   75 ARG  HN          5.00    (#   10473:19   Single Ambig)
 &rst
  ixpk= 10473, iat=1043,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10474   75 ARG  HN          5.00    (#   10474:19   Single Ambig)
 &rst
  ixpk= 10474, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#    0 AMB  19-2:10475   75 ARG  HN          5.00    (#   10475:19   Single Ambig)
 &rst
  ixpk= 10475, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          75 ARG  HN          5.00    (#   10476:19   Unique)
 &rst
  ixpk= 10476, iat=1012,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#   10477:19   Unique)
 &rst
  ixpk= 10477, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#   10478:19   Unique)
 &rst
  ixpk= 10478, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10479   75 ARG  HN          5.00    (#   10479:19   Single Ambig)
 &rst
  ixpk= 10479, iat=1070,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          75 ARG  HN          6.00    (#   10480:19   Unique)
 &rst
  ixpk= 10480, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#   10920:19   Unique)
 &rst
  ixpk= 10920, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#   10927:19   Unique)
 &rst
  ixpk= 10927, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#   10928:19   Unique)
 &rst
  ixpk= 10928, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#   10929:19   Unique)
 &rst
  ixpk= 10929, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10930   10 THR  HN          5.00    (#   10930:19   Single Ambig)
 &rst
  ixpk= 10930, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#    0 AMB  19-2:10932   10 THR  HN          5.00    (#   10932:19   Single Ambig)
 &rst
  ixpk= 10932, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#   10933:19   Unique)
 &rst
  ixpk= 10933, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   16 VAL  HN           17 CYS  HN          5.00    (#   10934:19   Unique)
 &rst
  ixpk= 10934, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HN          5.00    (#   10937:19   Unique)
 &rst
  ixpk= 10937, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#   10939:19   Unique)
 &rst
  ixpk= 10939, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#   10940:19   Unique)
 &rst
  ixpk= 10940, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#   10942:19   Unique)
 &rst
  ixpk= 10942, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           17 CYS  HN          5.00    (#   10944:19   Unique)
 &rst
  ixpk= 10944, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:10945   17 CYS  HN          5.00    (#   10945:19   Single Ambig)
 &rst
  ixpk= 10945, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   14 CYS  HN           76 VAL  HN          5.00    (#   11083:19   Unique)
 &rst
  ixpk= 11083, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           76 VAL  HN          3.30    (#   11084:19   Unique)
 &rst
  ixpk= 11084, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#   11085:19   Unique)
 &rst
  ixpk= 11085, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           76 VAL  HN          5.00    (#   11086:19   Unique)
 &rst
  ixpk= 11086, iat=1091,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11088   76 VAL  HN          5.00    (#   11088:19   Single Ambig)
 &rst
  ixpk= 11088, iat=1093,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#   11089:19   Unique)
 &rst
  ixpk= 11089, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11090   76 VAL  HN          5.00    (#   11090:19   Single Ambig)
 &rst
  ixpk= 11090, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   76 VAL  MGY          76 VAL  HN          5.00    (#   11092:19   Unique)
 &rst
  ixpk= 11092, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#   11238:19   Unique)
 &rst
  ixpk= 11238, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11239   56 CYS  HN          5.00    (#   11239:19   Single Ambig)
 &rst
  ixpk= 11239, iat= 808, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          6.00    (#   11241:19   Unique)
 &rst
  ixpk= 11241, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  19-2:11546   38 GLY  HN          5.00    (#   11546:19   Single Ambig)
 &rst
  ixpk= 11546, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#   11547:19   Unique)
 &rst
  ixpk= 11547, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           38 GLY  HN          6.00    (#   11550:19   Unique)
 &rst
  ixpk= 11550, iat= 499, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#   11551:19   Unique)
 &rst
  ixpk= 11551, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#   11552:19   Unique)
 &rst
  ixpk= 11552, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           38 GLY  HN          5.00    (#   11553:19   Unique)
 &rst
  ixpk= 11553, iat= 474, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          38 GLY  HN          5.00    (#   11554:19   Unique)
 &rst
  ixpk= 11554, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#   11555:19   Unique)
 &rst
  ixpk= 11555, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#   55 HIS  HN           56 CYS  HN          3.30    (#   11560:19   Unique)
 &rst
  ixpk= 11560, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   56 CYS  HA           56 CYS  HN          5.00    (#   11564:19   Unique)
 &rst
  ixpk= 11564, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11565   56 CYS  HN          5.00    (#   11565:19   Single Ambig)
 &rst
  ixpk= 11565, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 800,
 &end
#
#   53 CYS  HB1          56 CYS  HN          5.00    (#   11566:19   Unique)
 &rst
  ixpk= 11566, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#   11567:19   Unique)
 &rst
  ixpk= 11567, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#   11568:19   Unique)
 &rst
  ixpk= 11568, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           45 GLY  HN          5.00    (#   11784:19   Unique)
 &rst
  ixpk= 11784, iat= 619, 634, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HN           70 CYS  HN          3.30    (#   11786:19   Unique)
 &rst
  ixpk= 11786, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#   11789:19   Unique)
 &rst
  ixpk= 11789, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#   11790:19   Unique)
 &rst
  ixpk= 11790, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#   11791:19   Unique)
 &rst
  ixpk= 11791, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          5.00    (#   11792:19   Unique)
 &rst
  ixpk= 11792, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#   11794:19   Unique)
 &rst
  ixpk= 11794, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#   11795:19   Unique)
 &rst
  ixpk= 11795, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG1          70 CYS  HN          5.00    (#   11796:19   Unique)
 &rst
  ixpk= 11796, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#   11959:19   Unique)
 &rst
  ixpk= 11959, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#   11960:19   Unique)
 &rst
  ixpk= 11960, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          5.00    (#   11961:19   Unique)
 &rst
  ixpk= 11961, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#   11962:19   Unique)
 &rst
  ixpk= 11962, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11964   21 GLY  HN          5.00    (#   11964:19   Single Ambig)
 &rst
  ixpk= 11964, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 300, 301,1060,1061, 291,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#   11965:19   Unique)
 &rst
  ixpk= 11965, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11966   21 GLY  HN          3.30    (#   11966:19   Single Ambig)
 &rst
  ixpk= 11966, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 300, 301,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#   11967:19   Unique)
 &rst
  ixpk= 11967, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#   11969:19   Unique)
 &rst
  ixpk= 11969, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#   11972:19   Unique)
 &rst
  ixpk= 11972, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          2.70    (#   11973:19   Unique)
 &rst
  ixpk= 11973, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#   11974:19   Unique)
 &rst
  ixpk= 11974, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 GLY  HA2          45 GLY  HN          6.00    (#   11975:19   Unique)
 &rst
  ixpk= 11975, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 636, 637,
 &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#   11978:19   Unique)
 &rst
  ixpk= 11978, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:11981   70 CYS  HN          6.00    (#   11981:19   Single Ambig)
 &rst
  ixpk= 11981, iat=1019,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  19-2:12112   40 VAL  HN          5.00    (#   12112:19   Single Ambig)
 &rst
  ixpk= 12112, iat= 743, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLN  HG1          40 VAL  HN          6.00    (#   12113:19   Unique)
 &rst
  ixpk= 12113, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 731, 732,
 &end
#
#    0 AMB  19-2:12114   40 VAL  HN          5.00    (#   12114:19   Single Ambig)
 &rst
  ixpk= 12114, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 759, 545,
 &end
#
#    0 AMB  19-2:12115   40 VAL  HN          3.30    (#   12115:19   Single Ambig)
 &rst
  ixpk= 12115, iat= 528, 541, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#   12116:19   Unique)
 &rst
  ixpk= 12116, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#   12117:19   Unique)
 &rst
  ixpk= 12117, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          3.30    (#   12118:19   Unique)
 &rst
  ixpk= 12118, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 551, 552, 553,
 &end
#
#   24 PRO  HA           26 THR  HN          5.00    (#   12229:19   Unique)
 &rst
  ixpk= 12229, iat= 347, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HB           26 THR  HN          5.00    (#   12230:19   Unique)
 &rst
  ixpk= 12230, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#   12231:19   Unique)
 &rst
  ixpk= 12231, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#   12232:19   Unique)
 &rst
  ixpk= 12232, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   54 PRO  HA           57 GLN  HE21        6.00    (#   12244:19   Unique)
 &rst
  ixpk= 12244, iat= 775, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 CYS  HA           57 GLN  HE22        6.00    (#   12257:19   Unique)
 &rst
  ixpk= 12257, iat= 798, 819, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ASN  HB1          68 ASN  HD21        5.00    (#   12423:19   Unique)
 &rst
  ixpk= 12423, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   27 GLN  HG1          27 GLN  HE21        6.00    (#   12425:19   Unique)
 &rst
  ixpk= 12425, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   68 ASN  HB1          68 ASN  HD22        6.00    (#   12433:19   Unique)
 &rst
  ixpk= 12433, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   41 GLN  HG1          41 GLN  HE21        5.00    (#   12613:19   Unique)
 &rst
  ixpk= 12613, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  HG2          41 GLN  HE21        5.00    (#   12614:19   Unique)
 &rst
  ixpk= 12614, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           41 GLN  HE21        6.00    (#   12615:19   Unique)
 &rst
  ixpk= 12615, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 562,
 &end
#
#   48 ALA  HB1          41 GLN  HE21        6.00    (#   12616:19   Unique)
 &rst
  ixpk= 12616, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#   13201:19   Unique)
 &rst
  ixpk= 13201, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#   13202:19   Unique)
 &rst
  ixpk= 13202, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HA2          74 GLY  HN          5.00    (#   13203:19   Unique)
 &rst
  ixpk= 13203, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1060,1061,
 &end
#
#   70 CYS  HB2          74 GLY  HN          5.00    (#   13204:19   Unique)
 &rst
  ixpk= 13204, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13226   51 GLN  HE21        5.00    (#   13226:19   Single Ambig)
 &rst
  ixpk= 13226, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#   40 VAL  MG1          51 GLN  HE21        6.00    (#   13227:19   Unique)
 &rst
  ixpk= 13227, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#    0 AMB  19-2:13388   74 GLY  HN          6.00    (#   13388:19   Single Ambig)
 &rst
  ixpk= 13388, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1036,1037,1009,
 &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#   13389:19   Unique)
 &rst
  ixpk= 13389, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13390   74 GLY  HN          5.00    (#   13390:19   Single Ambig)
 &rst
  ixpk= 13390, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#   70 CYS  HB3          74 GLY  HN          5.00    (#   13391:19   Unique)
 &rst
  ixpk= 13391, iat=1012,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HE21        5.00    (#   13403:19   Unique)
 &rst
  ixpk= 13403, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   44 GLN  HG1          44 GLN  HE22        5.00    (#   13409:19   Unique)
 &rst
  ixpk= 13409, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   59 ARG  HN           60 GLY  HN          5.00    (#   13719:19   Unique)
 &rst
  ixpk= 13719, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#   13720:19   Unique)
 &rst
  ixpk= 13720, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#   13722:19   Unique)
 &rst
  ixpk= 13722, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          3.30    (#   13723:19   Unique)
 &rst
  ixpk= 13723, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#   13724:19   Unique)
 &rst
  ixpk= 13724, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:13725   60 GLY  HN          5.00    (#   13725:19   Single Ambig)
 &rst
  ixpk= 13725, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 759,
 &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#   14147:19   Unique)
 &rst
  ixpk= 14147, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#   14152:19   Unique)
 &rst
  ixpk= 14152, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          5.00    (#   14153:19   Unique)
 &rst
  ixpk= 14153, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          61 THR  HN          5.00    (#   14154:19   Unique)
 &rst
  ixpk= 14154, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  19-2:14155   61 THR  HN          5.00    (#   14155:19   Single Ambig)
 &rst
  ixpk= 14155, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 865, 422,
 &end
#
#    0 AMB  19-2:14156   61 THR  HN          5.00    (#   14156:19   Single Ambig)
 &rst
  ixpk= 14156, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 800,
 &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#   14157:19   Unique)
 &rst
  ixpk= 14157, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#   14158:19   Unique)
 &rst
  ixpk= 14158, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          61 THR  HN          5.00    (#   14159:19   Unique)
 &rst
  ixpk= 14159, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  19-2:14160   61 THR  HN          5.00    (#   14160:19   Single Ambig)
 &rst
  ixpk= 14160, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 837, 838, 396, 397,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#   14161:19   Unique)
 &rst
  ixpk= 14161, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   38 GLY  HN           36 GLY  HN          6.00    (#   14687:19   Unique)
 &rst
  ixpk= 14687, iat= 517, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           36 GLY  HN          5.00    (#   14689:19   Unique)
 &rst
  ixpk= 14689, iat= 506, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:14690   36 GLY  HN          5.00    (#   14690:19   Single Ambig)
 &rst
  ixpk= 14690, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   36 GLY  HA1          36 GLY  HN          5.00    (#   14691:19   Unique)
 &rst
  ixpk= 14691, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          36 GLY  HN          5.00    (#   14692:19   Unique)
 &rst
  ixpk= 14692, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   35 HIS  HA           36 GLY  HN          5.00    (#   14693:19   Unique)
 &rst
  ixpk= 14693, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          36 GLY  HN          5.00    (#   14694:19   Unique)
 &rst
  ixpk= 14694, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  19-2:14696   36 GLY  HN          5.00    (#   14696:19   Single Ambig)
 &rst
  ixpk= 14696, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 487,
 &end
#
#   31 CYS  HB3          36 GLY  HN          5.00    (#   14697:19   Unique)
 &rst
  ixpk= 14697, iat= 439, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          36 GLY  HN          5.00    (#   14698:19   Unique)
 &rst
  ixpk= 14698, iat= 438, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         36 GLY  HN          5.00    (#   14699:19   Unique)
 &rst
  ixpk= 14699, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   60 GLY  HN           58 GLY  HN          6.00    (#   14950:19   Unique)
 &rst
  ixpk= 14950, iat= 854, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  HN           58 GLY  HN          5.00    (#   14953:19   Unique)
 &rst
  ixpk= 14953, iat= 830, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          58 GLY  HN          3.30    (#   14954:19   Unique)
 &rst
  ixpk= 14954, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 825, 826,
 &end
#
#   57 GLN  HA           58 GLY  HN          5.00    (#   14955:19   Unique)
 &rst
  ixpk= 14955, iat= 808, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB1          58 GLY  HN          5.00    (#   14958:19   Unique)
 &rst
  ixpk= 14958, iat= 760, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:14959   58 GLY  HN          5.00    (#   14959:19   Single Ambig)
 &rst
  ixpk= 14959, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   53 CYS  HB2          58 GLY  HN          5.00    (#   14960:19   Unique)
 &rst
  ixpk= 14960, iat= 759, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         58 GLY  HN          5.00    (#   14961:19   Unique)
 &rst
  ixpk= 14961, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   72 GLY  HA1          72 GLY  HN          3.30    (#   15175:19   Unique)
 &rst
  ixpk= 15175, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:15176   72 GLY  HN          5.00    (#   15176:19   Single Ambig)
 &rst
  ixpk= 15176, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   72 GLY  HA2          72 GLY  HN          5.00    (#   15177:19   Unique)
 &rst
  ixpk= 15177, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  19-2:15179   72 GLY  HN          5.00    (#   15179:19   Single Ambig)
 &rst
  ixpk= 15179, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,1021,1022,
 &end
#
#   67 CYS  HB3          72 GLY  HN          5.00    (#   15180:19   Unique)
 &rst
  ixpk= 15180, iat= 966,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          72 GLY  HN          5.00    (#   15181:19   Unique)
 &rst
  ixpk= 15181, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HN           19 GLY  HN          5.00    (#   15304:19   Unique)
 &rst
  ixpk= 15304, iat= 263, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:15306   19 GLY  HN          5.00    (#   15306:19   Single Ambig)
 &rst
  ixpk= 15306, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 282, 283, 265,
 &end
#
#    0 AMB  19-2:15308   19 GLY  HN          5.00    (#   15308:19   Single Ambig)
 &rst
  ixpk= 15308, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 267, 268,1060,1061,
 &end
#
#   14 CYS  HB3          19 GLY  HN          5.00    (#   15309:19   Unique)
 &rst
  ixpk= 15309, iat= 220, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  19-2:15310   19 GLY  HN          5.00    (#   15310:19   Single Ambig)
 &rst
  ixpk= 15310, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#   55 HIS  HN           55 HIS  HB1         5.00    (#     84:29   Unique)
 &rst
  ixpk= 84, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   56 CYS  HN           55 HIS  HB1         5.00    (#     85:29   Unique)
 &rst
  ixpk= 85, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   33 THR  HB           55 HIS  HB1         5.00    (#     87:29   Unique)
 &rst
  ixpk= 87, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HA           55 HIS  HB1         3.30    (#     91:29   Unique)
 &rst
  ixpk= 91, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 783, 784,
 &end
#
#   55 HIS  HN           55 HIS  HB2         5.00    (#     97:29   Unique)
 &rst
  ixpk= 97, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HB2         5.00    (#     98:29   Unique)
 &rst
  ixpk= 98, iat= 796, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HB2         5.00    (#    100:29   Unique)
 &rst
  ixpk= 100, iat= 781, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         55 HIS  HB2         5.00    (#    104:29   Unique)
 &rst
  ixpk= 104, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   29 GLN  HB1          29 GLN  HG1         5.00    (#    112:29   Unique)
 &rst
  ixpk= 112, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 407, 408,
 igr2= 410, 411,
 &end
#
#    0 AMB  29-2:119     27 GLN  HG1         5.00    (#    119:29   Single Ambig)
 &rst
  ixpk= 119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 379, 380,
 &end
#
#   51 GLN  HA           51 GLN  HG1         5.00    (#    126:29   Unique)
 &rst
  ixpk= 126, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 732,
 &end
#
#   50 GLN  HG2          51 GLN  HG1         5.00    (#    127:29   Unique)
 &rst
  ixpk= 127, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715,
 igr2= 731, 732,
 &end
#
#   39 GLN  HB3          39 GLN  HG1         5.00    (#    135:29   Unique)
 &rst
  ixpk= 135, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HB3          39 GLN  HG2         5.00    (#    142:29   Unique)
 &rst
  ixpk= 142, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HA           39 GLN  HB2         5.00    (#    148:29   Unique)
 &rst
  ixpk= 148, iat= 526, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:149      0 AMB  29-1:149    3.30    (#    149:29   Double Ambig)
 &rst
  ixpk= 149, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  68,  69,
 igr2=  43,  44,
 &end
#
#   39 GLN  HN           39 GLN  HB3         5.00    (#    151:29   Unique)
 &rst
  ixpk= 151, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:153     39 GLN  HB3         5.00    (#    153:29   Single Ambig)
 &rst
  ixpk= 153, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   39 GLN  HG2          39 GLN  HB3         5.00    (#    154:29   Unique)
 &rst
  ixpk= 154, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   29 GLN  HB2          29 GLN  HG1         5.00    (#    360:29   Unique)
 &rst
  ixpk= 360, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#   27 GLN  HN           27 GLN  HG1         5.00    (#    362:29   Unique)
 &rst
  ixpk= 362, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   27 GLN  HA           27 GLN  HG1         5.00    (#    364:29   Unique)
 &rst
  ixpk= 364, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HG1         3.30    (#    368:29   Unique)
 &rst
  ixpk= 368, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 379, 380,
 &end
#
#   50 GLN  HN           50 GLN  HG1         5.00    (#    372:29   Unique)
 &rst
  ixpk= 372, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  29-2:373     50 GLN  HG1         6.00    (#    373:29   Single Ambig)
 &rst
  ixpk= 373, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 559, 726,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG2         5.00    (#    379:29   Unique)
 &rst
  ixpk= 379, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  29-2:380     50 GLN  HG2         6.00    (#    380:29   Single Ambig)
 &rst
  ixpk= 380, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 559, 726,
 igr2= 714, 715,
 &end
#
#    4 LYS  HG1           4 LYS  QB          3.30    (#    384:29   Unique)
 &rst
  ixpk= 384, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  46,  47,
 igr2=  43,  44,
 &end
#
#   49 VAL  MG1          50 GLN  HG1         5.00    (#    547:29   Unique)
 &rst
  ixpk= 547, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 697, 698, 699,
 igr2= 714, 715,
 &end
#
#   12 GLU  HN           12 GLU  HB1         5.00    (#    548:29   Unique)
 &rst
  ixpk= 548, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   13 GLU  HN           12 GLU  HB1         5.00    (#    549:29   Unique)
 &rst
  ixpk= 549, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB1         5.00    (#    550:29   Unique)
 &rst
  ixpk= 550, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HN           12 GLU  HB2         5.00    (#    554:29   Unique)
 &rst
  ixpk= 554, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB2         5.00    (#    555:29   Unique)
 &rst
  ixpk= 555, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  29-2:556     12 GLU  HB2         3.30    (#    556:29   Single Ambig)
 &rst
  ixpk= 556, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 192, 193,
 igr2= 189, 190,
 &end
#
#    0 AMB  29-2:714     23 LYS  QB          5.00    (#    714:29   Single Ambig)
 &rst
  ixpk= 714, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 315, 358,
 igr2= 319, 320,
 &end
#
#   23 LYS  HA           23 LYS  QB          3.30    (#    715:29   Unique)
 &rst
  ixpk= 715, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 319, 320,
 &end
#
#   24 PRO  HD2          23 LYS  QB          5.00    (#    716:29   Unique)
 &rst
  ixpk= 716, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 319, 320,
 &end
#
#   65 ASP  HB2          23 LYS  QB          5.00    (#    718:29   Unique)
 &rst
  ixpk= 718, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  29-2:720     23 LYS  QB          5.00    (#    720:29   Single Ambig)
 &rst
  ixpk= 720, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 364, 365, 366, 309, 310, 311,
 igr2= 319, 320,
 &end
#
#    9 PRO  HD2           9 PRO  HB1         5.00    (#    860:29   Unique)
 &rst
  ixpk= 860, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#   28 PRO  HD1          28 PRO  HB1         5.00    (#    862:29   Unique)
 &rst
  ixpk= 862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 396, 397,
 &end
#
#   69 LYS  HN           69 LYS  HB2         5.00    (#    865:29   Unique)
 &rst
  ixpk= 865, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 LYS  HN           64 LYS  HB+         5.00    (#    869:29   Unique)
 &rst
  ixpk= 869, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#   65 ASP  HN           64 LYS  HB+         5.00    (#    870:29   Unique)
 &rst
  ixpk= 870, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#    0 AMB  29-2:872      0 AMB  29-1:872    3.30    (#    872:29   Double Ambig)
 &rst
  ixpk= 872, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 987, 915,
 igr2= 989, 917, 918,
 &end
#
#   69 LYS  HN           69 LYS  HB3         5.00    (#    878:29   Unique)
 &rst
  ixpk= 878, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HB3         5.00    (#    879:29   Unique)
 &rst
  ixpk= 879, iat= 987, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:881     23 LYS  QB          5.00    (#    881:29   Single Ambig)
 &rst
  ixpk= 881, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 319, 320,
 &end
#
#    9 PRO  HA            9 PRO  HB1         2.70    (#   1002:29   Unique)
 &rst
  ixpk= 1002, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 145, 146,
 &end
#
#    0 AMB  29-2:1006    28 PRO  HB1         5.00    (#   1006:29   Single Ambig)
 &rst
  ixpk= 1006, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   28 PRO  HA           28 PRO  HB1         3.30    (#   1007:29   Unique)
 &rst
  ixpk= 1007, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 396, 397,
 &end
#
#   61 THR  HB           28 PRO  HB1         3.30    (#   1008:29   Unique)
 &rst
  ixpk= 1008, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB1         5.00    (#   1009:29   Unique)
 &rst
  ixpk= 1009, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   63 ILE  HD11         28 PRO  HB1         5.00    (#   1011:29   Unique)
 &rst
  ixpk= 1011, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#   17 CYS  HN           16 VAL  HB          5.00    (#   1013:29   Unique)
 &rst
  ixpk= 1013, iat= 253, 241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1014    16 VAL  HB          2.70    (#   1014:29   Single Ambig)
 &rst
  ixpk= 1014, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   70 CYS  HN           69 LYS  HB2         5.00    (#   1015:29   Unique)
 &rst
  ixpk= 1015, iat=1007, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB2         5.00    (#   1016:29   Unique)
 &rst
  ixpk= 1016, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 145, 146,
 &end
#
#    0 AMB  29-2:1019     0 AMB  29-1:1019   5.00    (#   1019:29   Double Ambig)
 &rst
  ixpk= 1019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 390, 391, 139, 140,
 igr2= 396, 397, 145, 146,
 &end
#
#   61 THR  HB           28 PRO  HB2         5.00    (#   1020:29   Unique)
 &rst
  ixpk= 1020, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   28 PRO  HG2          28 PRO  HB2         2.70    (#   1023:29   Unique)
 &rst
  ixpk= 1023, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB2         5.00    (#   1024:29   Unique)
 &rst
  ixpk= 1024, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#    0 AMB  29-2:1026    69 LYS  HB3         5.00    (#   1026:29   Single Ambig)
 &rst
  ixpk= 1026, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   40 VAL  MG1          34 CYS  HB3         5.00    (#   1146:29   Unique)
 &rst
  ixpk= 1146, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   72 GLY  HA2          70 CYS  HB3         6.00    (#   1150:29   Unique)
 &rst
  ixpk= 1150, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1036,1037,
 &end
#
#   39 GLN  HN           34 CYS  HB2         5.00    (#   1157:29   Unique)
 &rst
  ixpk= 1157, iat= 524, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1159     0 AMB  29-1:1159   3.30    (#   1159:29   Double Ambig)
 &rst
  ixpk= 1159, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 445, 446, 766, 767,
 igr2= 451, 452, 772, 773,
 &end
#
#   32 PRO  HA           32 PRO  HB2         2.70    (#   1162:29   Unique)
 &rst
  ixpk= 1162, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 451, 452,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.00    (#   1166:29   Unique)
 &rst
  ixpk= 1166, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1167    16 VAL  HB          3.30    (#   1167:29   Single Ambig)
 &rst
  ixpk= 1167, iat= 239, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HN           34 CYS  HB3         5.00    (#   1290:29   Unique)
 &rst
  ixpk= 1290, iat= 517, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           34 CYS  HB3         5.00    (#   1291:29   Unique)
 &rst
  ixpk= 1291, iat= 524, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HB3         5.00    (#   1293:29   Unique)
 &rst
  ixpk= 1293, iat= 474, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HB2          34 CYS  HB3         5.00    (#   1297:29   Unique)
 &rst
  ixpk= 1297, iat= 759, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1300     0 AMB  29-1:1300   3.30    (#   1300:29   Double Ambig)
 &rst
  ixpk= 1300, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1045,1046,
 &end
#
#   75 ARG  HN            0 AMB  29-1:1301   5.00    (#   1301:29   Single Ambig)
 &rst
  ixpk= 1301, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  29-2:1302     0 AMB  29-1:1302   5.00    (#   1302:29   Double Ambig)
 &rst
  ixpk= 1302, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#   74 GLY  HN           70 CYS  HB3         5.00    (#   1305:29   Unique)
 &rst
  ixpk= 1305, iat=1058,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB3         5.00    (#   1308:29   Unique)
 &rst
  ixpk= 1308, iat=1009,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HB3         5.00    (#   1310:29   Unique)
 &rst
  ixpk= 1310, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   53 CYS  HA           53 CYS  HB1         5.00    (#   1312:29   Unique)
 &rst
  ixpk= 1312, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1317    17 CYS  HB2         5.00    (#   1317:29   Single Ambig)
 &rst
  ixpk= 1317, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 280, 305,
 &end
#
#   17 CYS  HA           17 CYS  HB2         5.00    (#   1318:29   Unique)
 &rst
  ixpk= 1318, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1322     0 AMB  29-1:1322   5.00    (#   1322:29   Double Ambig)
 &rst
  ixpk= 1322, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 472, 482,
 &end
#
#   34 CYS  HA           34 CYS  HB2         3.30    (#   1323:29   Unique)
 &rst
  ixpk= 1323, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1326     0 AMB  29-1:1326   3.30    (#   1326:29   Manually)
 &rst
  ixpk= 1326, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 759, 219,
 igr2= 476,1011,
 &end
#
#   38 GLY  HN           34 CYS  HB2         5.00    (#   1327:29   Unique)
 &rst
  ixpk= 1327, iat= 517, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB2         5.00    (#   1330:29   Unique)
 &rst
  ixpk= 1330, iat=1009,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1335     0 AMB  29-1:1335   5.00    (#   1335:29   Double Ambig)
 &rst
  ixpk= 1335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 547, 548, 549,1095,1096,1097,1099,1100,1101,
 igr2= 476,1011,
 &end
#
#   42 MET  HN           42 MET  HG1         5.00    (#   1338:29   Unique)
 &rst
  ixpk= 1338, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   42 MET  HA           42 MET  HG1         5.00    (#   1339:29   Unique)
 &rst
  ixpk= 1339, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  29-2:1342     0 AMB  29-1:1342   3.30    (#   1342:29   Double Ambig)
 &rst
  ixpk= 1342, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG2         5.00    (#   1344:29   Unique)
 &rst
  ixpk= 1344, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   54 PRO  HA           54 PRO  HB1         3.30    (#   1350:29   Unique)
 &rst
  ixpk= 1350, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 772, 773,
 &end
#
#   29 GLN  HN           29 GLN  HB1         5.00    (#   1352:29   Unique)
 &rst
  ixpk= 1352, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#    0 AMB  29-2:1354     0 AMB  29-1:1354   3.30    (#   1354:29   Double Ambig)
 &rst
  ixpk= 1354, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 834, 835,
 &end
#
#    0 AMB  29-2:1355    59 ARG  QB          5.00    (#   1355:29   Single Ambig)
 &rst
  ixpk= 1355, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 861,
 igr2= 834, 835,
 &end
#
#   59 ARG  HA           59 ARG  QB          2.70    (#   1356:29   Unique)
 &rst
  ixpk= 1356, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 834, 835,
 &end
#
#   32 PRO  HD1          32 PRO  HB2         3.30    (#   1357:29   Unique)
 &rst
  ixpk= 1357, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 445, 446,
 igr2= 451, 452,
 &end
#
#   29 GLN  HA           29 GLN  HB2         5.00    (#   1362:29   Unique)
 &rst
  ixpk= 1362, iat= 405, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB3         3.30    (#   1526:29   Unique)
 &rst
  ixpk= 1526, iat= 255, 258, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1532     0 AMB  29-1:1532   8.00    (#   1532:29   Double Ambig)
 &rst
  ixpk= 1532, iat= 759, 800, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   62 LEU  HD21         56 CYS  HB2         5.00    (#   1533:29   Unique)
 &rst
  ixpk= 1533, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  29-2:1535     0 AMB  29-1:1535   2.70    (#   1535:29   Double Ambig)
 &rst
  ixpk= 1535, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 215, 434,
 igr2= 220, 439,
 &end
#
#    0 AMB  29-2:1536     0 AMB  29-1:1536   5.00    (#   1536:29   Double Ambig)
 &rst
  ixpk= 1536, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 482, 472, 253, 830,
 igr2= 439, 220, 760,
 &end
#
#    0 AMB  29-2:1540     0 AMB  29-1:1540   5.00    (#   1540:29   Double Ambig)
 &rst
  ixpk= 1540, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 220, 760,
 &end
#
#   53 CYS  HN           53 CYS  HB1         3.30    (#   1541:29   Unique)
 &rst
  ixpk= 1541, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   31 CYS  HA           31 CYS  HB3         5.00    (#   1542:29   Unique)
 &rst
  ixpk= 1542, iat= 436, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HB3         3.30    (#   1545:29   manually assigned 2/17/00)
 &rst
  ixpk= 1545, iat= 219, 220, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   17 CYS  HN           17 CYS  HB2         5.00    (#   1548:29   Unique)
 &rst
  ixpk= 1548, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1549    17 CYS  HB2         5.00    (#   1549:29   Single Ambig)
 &rst
  ixpk= 1549, iat= 965, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          56 CYS  HB1         5.00    (#   1558:29   Unique)
 &rst
  ixpk= 1558, iat= 438, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HB1         5.00    (#   1559:29   Unique)
 &rst
  ixpk= 1559, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   24 PRO  HA           24 PRO  HB1         3.30    (#   1563:29   Unique)
 &rst
  ixpk= 1563, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   29 GLN  HA           29 GLN  HB1         5.00    (#   1568:29   Unique)
 &rst
  ixpk= 1568, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#   60 GLY  HN            0 AMB  29-1:1569   5.00    (#   1569:29   Single Ambig)
 &rst
  ixpk= 1569, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 834, 835,
 &end
#
#   53 CYS  HN           53 CYS  HB2         5.00    (#   1570:29   Unique)
 &rst
  ixpk= 1570, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HB2         3.30    (#   1573:29   Unique)
 &rst
  ixpk= 1573, iat= 757, 759, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1575     0 AMB  29-1:1575   2.70    (#   1575:29   Double Ambig)
 &rst
  ixpk= 1575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 840, 841, 800,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  29-2:1576     0 AMB  29-1:1576   3.30    (#   1576:29   Double Ambig)
 &rst
  ixpk= 1576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 476,1011,
 igr2= 759, 219,
 &end
#
#   40 VAL  MG1          53 CYS  HB2         5.00    (#   1579:29   Unique)
 &rst
  ixpk= 1579, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   31 CYS  HA           31 CYS  HB2         5.00    (#   1583:29   Unique)
 &rst
  ixpk= 1583, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1584    66 PRO  HB1         2.70    (#   1584:29   Single Ambig)
 &rst
  ixpk= 1584, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 954, 955,
 &end
#
#    0 AMB  29-2:1585     0 AMB  29-1:1585   3.30    (#   1585:29   Double Ambig)
 &rst
  ixpk= 1585, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 948, 949, 766, 767,
 igr2= 954, 955, 772, 773,
 &end
#
#    0 AMB  29-2:1586     0 AMB  29-1:1586   5.00    (#   1586:29   Double Ambig)
 &rst
  ixpk= 1586, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 948, 949, 477,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  29-2:1588     0 AMB  29-1:1588   5.00    (#   1588:29   Double Ambig)
 &rst
  ixpk= 1588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 900, 901, 902, 888, 889, 890,
 igr2= 954, 955, 438,
 &end
#
#   24 PRO  HA           24 PRO  HB2         5.00    (#   1591:29   Unique)
 &rst
  ixpk= 1591, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 344, 345,
 &end
#
#    0 AMB  29-2:1593    66 PRO  HB2         3.30    (#   1593:29   Single Ambig)
 &rst
  ixpk= 1593, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 954, 955,
 &end
#
#    0 AMB  29-2:1735    14 CYS  HB3         3.30    (#   1735:29   Single Ambig)
 &rst
  ixpk= 1735, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 217,1060,1061,
 &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1739:29   Unique)
 &rst
  ixpk= 1739, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:1740    14 CYS  HB2         3.30    (#   1740:29   Single Ambig)
 &rst
  ixpk= 1740, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 217,1060,1061,
 &end
#
#   76 VAL  MGX          14 CYS  HB2         5.00    (#   1742:29   Unique)
 &rst
  ixpk= 1742, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:1743     0 AMB  29-1:1743   5.00    (#   1743:29   Double Ambig)
 &rst
  ixpk= 1743, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 438, 772, 773,
 &end
#
#    0 AMB  29-2:1844    67 CYS  HB3         5.00    (#   1844:29   Single Ambig)
 &rst
  ixpk= 1844, iat= 961, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           67 CYS  HB3         5.00    (#   1846:29   Unique)
 &rst
  ixpk= 1846, iat= 963, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1849    67 CYS  HB2         5.00    (#   1849:29   Single Ambig)
 &rst
  ixpk= 1849, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1852    67 CYS  HB2         5.00    (#   1852:29   Single Ambig)
 &rst
  ixpk= 1852, iat= 957, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HA           67 CYS  HB2         5.00    (#   1853:29   Unique)
 &rst
  ixpk= 1853, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:1954    67 CYS  HB3         5.00    (#   1954:29   Single Ambig)
 &rst
  ixpk= 1954, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   17 CYS  HB2          67 CYS  HB2         5.00    (#   1957:29   Unique)
 &rst
  ixpk= 1957, iat= 257, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 ARG  HA           78 ARG  HB+         3.30    (#   1959:29   Unique)
 &rst
  ixpk= 1959, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   78 ARG  HN           78 ARG  HB-         5.00    (#   1960:29   Unique)
 &rst
  ixpk= 1960, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB-         5.00    (#   1961:29   Unique)
 &rst
  ixpk= 1961, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   13 GLU  HN           13 GLU  HB1         5.00    (#   2117:29   Unique)
 &rst
  ixpk= 2117, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB1         5.00    (#   2118:29   Unique)
 &rst
  ixpk= 2118, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#    0 AMB  29-2:2119     0 AMB  29-1:2119   5.00    (#   2119:29   Double Ambig)
 &rst
  ixpk= 2119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 200, 634,
 igr2= 204, 205, 597, 598,
 &end
#
#   13 GLU  HA           13 GLU  HB2         5.00    (#   2120:29   Unique)
 &rst
  ixpk= 2120, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   78 ARG  HD1          78 ARG  HB+         5.00    (#   2122:29   Unique)
 &rst
  ixpk= 2122, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1130,1131,
 igr2=1124,1125,
 &end
#
#   43 ARG  HA           43 ARG  HB+         5.00    (#   2124:29   Unique)
 &rst
  ixpk= 2124, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#    7 ARG  HA            7 ARG  QB          5.00    (#   2129:29   Unique)
 &rst
  ixpk= 2129, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  99, 100,
 &end
#
#    0 AMB  29-2:2264    43 ARG  HB-         5.00    (#   2264:29   Single Ambig)
 &rst
  ixpk= 2264, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 593, 617,
 igr2= 597, 598,
 &end
#
#   43 ARG  HA           43 ARG  HB-         5.00    (#   2265:29   Unique)
 &rst
  ixpk= 2265, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   2444:29   Unique)
 &rst
  ixpk= 2444, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   2445:29   Unique)
 &rst
  ixpk= 2445, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HN           27 GLN  HB2         5.00    (#   2450:29   Unique)
 &rst
  ixpk= 2450, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   2451:29   Unique)
 &rst
  ixpk= 2451, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   2452:29   Unique)
 &rst
  ixpk= 2452, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HG1          27 GLN  HB2         3.30    (#   2453:29   Unique)
 &rst
  ixpk= 2453, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 379, 380,
 &end
#
#    0 AMB  29-2:2575     0 AMB  29-1:2575   3.30    (#   2575:29   Double Ambig)
 &rst
  ixpk= 2575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1105, 593,
 igr2=1109,1110, 561, 562,
 &end
#
#    0 AMB  29-2:2576     0 AMB  29-1:2576   3.30    (#   2576:29   Double Ambig)
 &rst
  ixpk= 2576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  61, 557,
 igr2=  65,  66, 561, 562,
 &end
#
#    0 AMB  29-2:2577     0 AMB  29-1:2577   3.30    (#   2577:29   Double Ambig)
 &rst
  ixpk= 2577, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#    0 AMB  29-2:2580     0 AMB  29-1:2580   5.00    (#   2580:29   Double Ambig)
 &rst
  ixpk= 2580, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 561, 562,
 &end
#
#   42 MET  HN            0 AMB  29-1:2581   5.00    (#   2581:29   Single Ambig)
 &rst
  ixpk= 2581, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 561, 562, 711, 712,
 &end
#
#   50 GLN  HA            0 AMB  29-1:2583   2.70    (#   2583:29   Single Ambig)
 &rst
  ixpk= 2583, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 711, 712,
 &end
#
#   41 GLN  HA            0 AMB  29-1:2584   2.70    (#   2584:29   Single Ambig)
 &rst
  ixpk= 2584, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 561, 562,
 &end
#
#    0 AMB  29-2:2587     0 AMB  29-1:2587   2.70    (#   2587:29   Double Ambig)
 &rst
  ixpk= 2587, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 564, 565,
 igr2= 561, 562,
 &end
#
#   44 GLN  HN           44 GLN  HB3         5.00    (#   2588:29   Unique)
 &rst
  ixpk= 2588, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HA           43 ARG  HB+         6.00    (#   2589:29   Manually 022100)
 &rst
  ixpk= 2589, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 597, 598,
 &end
#
#    0 AMB  29-2:2775     0 AMB  29-1:2775   5.00    (#   2775:29   Double Ambig)
 &rst
  ixpk= 2775, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 685, 686, 687, 992, 993,
 igr2= 561, 562, 995, 996,
 &end
#
#   44 GLN  HA           44 GLN  HB2         5.00    (#   2918:29   Unique)
 &rst
  ixpk= 2918, iat= 619, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HE1          69 LYS  HD2         5.00    (#   2924:29   Unique)
 &rst
  ixpk= 2924, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:2925    69 LYS  HD2         3.30    (#   2925:29   Single Ambig)
 &rst
  ixpk= 2925, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:2927    69 LYS  HD1         5.00    (#   2927:29   Single Ambig)
 &rst
  ixpk= 2927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  29-2:3159     0 AMB  29-1:3159   3.30    (#   3159:29   Double Ambig)
 &rst
  ixpk= 3159, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 998, 999, 328, 329,
 igr2= 995, 996, 325, 326,
 &end
#
#   65 ASP  HB2          23 LYS  HD1         5.00    (#   3160:29   Unique)
 &rst
  ixpk= 3160, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   26 THR  HG21         23 LYS  HD1         5.00    (#   3164:29   Unique)
 &rst
  ixpk= 3164, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 365, 366,
 igr2= 325, 326,
 &end
#
#   64 LYS  HA           64 LYS  HD1         5.00    (#   3680:29   Unique)
 &rst
  ixpk= 3680, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   64 LYS  HE1          64 LYS  HD1         3.30    (#   3681:29   Unique)
 &rst
  ixpk= 3681, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   24 PRO  HD1          24 PRO  HG1         3.30    (#   4092:29   Unique)
 &rst
  ixpk= 4092, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG1         5.00    (#   4093:29   Unique)
 &rst
  ixpk= 4093, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#    0 AMB  29-2:4097    24 PRO  HG1         5.00    (#   4097:29   Single Ambig)
 &rst
  ixpk= 4097, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD1          24 PRO  HG2         5.00    (#   4098:29   Unique)
 &rst
  ixpk= 4098, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG2         5.00    (#   4099:29   Unique)
 &rst
  ixpk= 4099, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HB1          24 PRO  HG2         5.00    (#   4100:29   Unique)
 &rst
  ixpk= 4100, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#    0 AMB  29-2:4101    24 PRO  HG2         5.00    (#   4101:29   Single Ambig)
 &rst
  ixpk= 4101, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   28 PRO  HD1          28 PRO  HG2         2.70    (#   4225:29   Unique)
 &rst
  ixpk= 4225, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG1         5.00    (#   4231:29   Unique)
 &rst
  ixpk= 4231, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG1         5.00    (#   4233:29   Unique)
 &rst
  ixpk= 4233, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG1         5.00    (#   4234:29   Unique)
 &rst
  ixpk= 4234, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HD11         28 PRO  HG1         5.00    (#   4239:29   Unique)
 &rst
  ixpk= 4239, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG1         5.00    (#   4241:29   Unique)
 &rst
  ixpk= 4241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG2         5.00    (#   4245:29   Unique)
 &rst
  ixpk= 4245, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG2         5.00    (#   4247:29   Unique)
 &rst
  ixpk= 4247, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   63 ILE  HA           63 ILE  HG11        5.00    (#   4248:29   Unique)
 &rst
  ixpk= 4248, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HG11        2.70    (#   4249:29   Unique)
 &rst
  ixpk= 4249, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 907, 908, 909,
 igr2= 904, 905,
 &end
#
#   59 ARG  HD1          59 ARG  HG2         3.30    (#   4366:29   Unique)
 &rst
  ixpk= 4366, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HN           63 ILE  HG11        5.00    (#   4368:29   Unique)
 &rst
  ixpk= 4368, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    9 PRO  HD2           9 PRO  HG2         5.00    (#   4478:29   Unique)
 &rst
  ixpk= 4478, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG1         5.00    (#   4479:29   Unique)
 &rst
  ixpk= 4479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  29-2:4592     9 PRO  HG2         5.00    (#   4592:29   Single Ambig)
 &rst
  ixpk= 4592, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG2         3.30    (#   4593:29   Unique)
 &rst
  ixpk= 4593, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  29-2:4602     0 AMB  29-1:4602   3.30    (#   4602:29   Double Ambig)
 &rst
  ixpk= 4602, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 603, 604,1130,1131,
 igr2= 600, 601,1127,1128,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.00    (#   4604:29   Unique)
 &rst
  ixpk= 4604, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:4605     0 AMB  29-1:4605   3.30    (#   4605:29   Double Ambig)
 &rst
  ixpk= 4605, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   43 ARG  HA           43 ARG  HG1         5.00    (#   4606:29   Unique)
 &rst
  ixpk= 4606, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  29-2:4607     0 AMB  29-1:4607   3.30    (#   4607:29   Double Ambig)
 &rst
  ixpk= 4607, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 603, 604,1130,1131, 105, 106,
 igr2= 600, 601,1127,1128, 102, 103,
 &end
#
#   62 LEU  HN           62 LEU  HG          5.00    (#   4611:29   Unique)
 &rst
  ixpk= 4611, iat= 875, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           62 LEU  HG          5.00    (#   4612:29   Unique)
 &rst
  ixpk= 4612, iat= 436, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HA            6 ILE  HG12        5.00    (#   4616:29   Unique)
 &rst
  ixpk= 4616, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  86,  87,
 &end
#
#   66 PRO  HD2          66 PRO  HG1         5.00    (#   4725:29   Unique)
 &rst
  ixpk= 4725, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG1         3.30    (#   4726:29   Unique)
 &rst
  ixpk= 4726, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#    0 AMB  29-2:4729    66 PRO  HG2         5.00    (#   4729:29   Single Ambig)
 &rst
  ixpk= 4729, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD1          66 PRO  HG2         3.30    (#   4730:29   Unique)
 &rst
  ixpk= 4730, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG2         5.00    (#   4731:29   Unique)
 &rst
  ixpk= 4731, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG2         5.00    (#   4734:29   Unique)
 &rst
  ixpk= 4734, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#    7 ARG  HD1           7 ARG  HG2         3.30    (#   4740:29   Unique)
 &rst
  ixpk= 4740, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#   11 LEU  HD21         11 LEU  HG          5.00    (#   4745:29   Unique)
 &rst
  ixpk= 4745, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   62 LEU  HD21         62 LEU  HG          3.30    (#   4749:29   Unique)
 &rst
  ixpk= 4749, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  29-2:4750     0 AMB  29-1:4750   5.00    (#   4750:29   Double Ambig)
 &rst
  ixpk= 4750, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 123,  80,
 igr2= 129, 130,  86,  87,
 &end
#
#    8 ILE  HN            0 AMB  29-1:4944   5.00    (#   4944:29   Single Ambig)
 &rst
  ixpk= 4944, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 129, 130,
 &end
#
#    0 AMB  29-2:4945     0 AMB  29-1:4945   5.00    (#   4945:29   Double Ambig)
 &rst
  ixpk= 4945, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 121, 693,
 igr2= 129, 130, 600, 601,
 &end
#
#    8 ILE  HA            0 AMB  29-1:4947   5.00    (#   4947:29   Single Ambig)
 &rst
  ixpk= 4947, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 129, 130,
 &end
#
#    0 AMB  29-2:5047    32 PRO  HG1         5.00    (#   5047:29   Single Ambig)
 &rst
  ixpk= 5047, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 472, 482,
 igr2= 448, 449,
 &end
#
#   32 PRO  HD1          32 PRO  HG1         2.70    (#   5048:29   Unique)
 &rst
  ixpk= 5048, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 445, 446,
 igr2= 448, 449,
 &end
#
#   54 PRO  HD2          54 PRO  HG1         5.00    (#   5055:29   Unique)
 &rst
  ixpk= 5055, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   75 ARG  HA           75 ARG  HG2         5.00    (#   5058:29   Unique)
 &rst
  ixpk= 5058, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   13 GLU  HA           75 ARG  HG2         5.00    (#   5059:29   Unique)
 &rst
  ixpk= 5059, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG2         3.30    (#   5060:29   Unique)
 &rst
  ixpk= 5060, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   75 ARG  HA           75 ARG  HG1         5.00    (#   5061:29   Unique)
 &rst
  ixpk= 5061, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG1         5.00    (#   5062:29   Unique)
 &rst
  ixpk= 5062, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   54 PRO  HD1          54 PRO  HG1         5.00    (#   5171:29   Unique)
 &rst
  ixpk= 5171, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG2         5.00    (#   5174:29   Unique)
 &rst
  ixpk= 5174, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD1          54 PRO  HG2         5.00    (#   5176:29   Unique)
 &rst
  ixpk= 5176, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HB1          54 PRO  HG2         5.00    (#   5177:29   Unique)
 &rst
  ixpk= 5177, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 LYS  HA           69 LYS  HG1         5.00    (#   5307:29   Unique)
 &rst
  ixpk= 5307, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG1         5.00    (#   5308:29   Unique)
 &rst
  ixpk= 5308, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5312    69 LYS  HG1         5.00    (#   5312:29   Single Ambig)
 &rst
  ixpk= 5312, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG2         3.30    (#   5313:29   Unique)
 &rst
  ixpk= 5313, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#   69 LYS  HA           69 LYS  HG2         3.30    (#   5315:29   Unique)
 &rst
  ixpk= 5315, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG2         5.00    (#   5316:29   Unique)
 &rst
  ixpk= 5316, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5317    69 LYS  HG2         5.00    (#   5317:29   Single Ambig)
 &rst
  ixpk= 5317, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#    0 AMB  29-2:5318    69 LYS  HG2         3.30    (#   5318:29   Single Ambig)
 &rst
  ixpk= 5318, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 990, 995, 996,
 igr2= 992, 993,
 &end
#
#   76 VAL  MGX          69 LYS  HG2         5.00    (#   5320:29   Unique)
 &rst
  ixpk= 5320, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG1         5.00    (#   5437:29   Unique)
 &rst
  ixpk= 5437, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   57 GLN  HA           57 GLN  HB3         3.30    (#   5535:29   Unique)
 &rst
  ixpk= 5535, iat= 808, 811, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HA           57 GLN  HB2         5.00    (#   5537:29   Unique)
 &rst
  ixpk= 5537, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:5685    62 LEU  HD11        5.00    (#   5685:29   Single Ambig)
 &rst
  ixpk= 5685, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HD1          62 LEU  HD11        3.30    (#   5686:29   Unique)
 &rst
  ixpk= 5686, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 445, 446,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HB2          62 LEU  HD11        5.00    (#   5687:29   Unique)
 &rst
  ixpk= 5687, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 451, 452,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB2          62 LEU  HD11        5.00    (#   5688:29   Unique)
 &rst
  ixpk= 5688, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB3          62 LEU  HD11        3.30    (#   5689:29   Unique)
 &rst
  ixpk= 5689, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 884, 885, 886,
 &end
#
#   11 LEU  HA           11 LEU  HD11        5.00    (#   5986:29   Unique)
 &rst
  ixpk= 5986, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5987    11 LEU  HD11        5.00    (#   5987:29   Single Ambig)
 &rst
  ixpk= 5987, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1107,1091,
 igr2= 175, 176, 177,
 &end
#
#   75 ARG  HD1          11 LEU  HD11        5.00    (#   5988:29   Unique)
 &rst
  ixpk= 5988, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1075,1076,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5992    11 LEU  HD11        3.30    (#   5992:29   Single Ambig)
 &rst
  ixpk= 5992, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 170,1069,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:5993    11 LEU  HD11        5.00    (#   5993:29   Single Ambig)
 &rst
  ixpk= 5993, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1073,1070,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HB3          11 LEU  HD11        5.00    (#   5994:29   Unique)
 &rst
  ixpk= 5994, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   64 LYS  HE1          64 LYS  HG1         5.00    (#   6240:29   Unique)
 &rst
  ixpk= 6240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#    0 AMB  29-2:6247    11 LEU  HD11        5.00    (#   6247:29   Single Ambig)
 &rst
  ixpk= 6247, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1073, 173,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  29-2:6368     0 AMB  29-1:6368   5.00    (#   6368:29   Double Ambig)
 &rst
  ixpk= 6368, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 915, 317,
 igr2= 920, 921, 322, 323,
 &end
#
#   64 LYS  HB+          64 LYS  HG1         3.30    (#   6369:29   Unique)
 &rst
  ixpk= 6369, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#    0 AMB  29-2:6372     0 AMB  29-1:6372   3.30    (#   6372:29   Double Ambig)
 &rst
  ixpk= 6372, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 917, 918,  43,  44,
 igr2= 920, 921,  46,  47,
 &end
#
#   64 LYS  HA           64 LYS  HG2         5.00    (#   6375:29   Unique)
 &rst
  ixpk= 6375, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   62 LEU  HN           61 THR  HB          5.00    (#   6497:29   Unique)
 &rst
  ixpk= 6497, iat= 875, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HB          3.30    (#   6501:29   Unique)
 &rst
  ixpk= 6501, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   28 PRO  HG2          61 THR  HB          3.30    (#   6507:29   Unique)
 &rst
  ixpk= 6507, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 393, 394,
 &end
#
#    0 AMB  29-2:6508    61 THR  HB          5.00    (#   6508:29   Single Ambig)
 &rst
  ixpk= 6508, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 396, 397, 393, 394,
 &end
#
#   61 THR  HG21         61 THR  HB          3.30    (#   6509:29   Unique)
 &rst
  ixpk= 6509, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  29-2:6516    23 LYS  HG1         5.00    (#   6516:29   Single Ambig)
 &rst
  ixpk= 6516, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   24 PRO  HD2          23 LYS  HG2         5.00    (#   6616:29   Unique)
 &rst
  ixpk= 6616, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 322, 323,
 &end
#
#    0 AMB  29-2:6617    23 LYS  HG2         5.00    (#   6617:29   Single Ambig)
 &rst
  ixpk= 6617, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   12 GLU  HN           11 LEU  HD21        5.00    (#   7107:29   Unique)
 &rst
  ixpk= 7107, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7108     0 AMB  29-1:7108   5.00    (#   7108:29   Double Ambig)
 &rst
  ixpk= 7108, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 894,1105,
 igr2= 888, 889, 890, 179, 180, 181,
 &end
#
#   11 LEU  HA           11 LEU  HD21        3.30    (#   7110:29   Unique)
 &rst
  ixpk= 7110, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7111    11 LEU  HD21        2.70    (#   7111:29   Single Ambig)
 &rst
  ixpk= 7111, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1107,1091,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG1          11 LEU  HD21        5.00    (#   7113:29   Unique)
 &rst
  ixpk= 7113, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HB1          11 LEU  HD21        5.00    (#   7114:29   Unique)
 &rst
  ixpk= 7114, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 179, 180, 181,
 &end
#
#   12 GLU  HB2          11 LEU  HD21        6.00    (#   7115:29   Unique)
 &rst
  ixpk= 7115, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 189, 190,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7116    11 LEU  HD21        5.00    (#   7116:29   Single Ambig)
 &rst
  ixpk= 7116, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7117    11 LEU  HD21        5.00    (#   7117:29   Single Ambig)
 &rst
  ixpk= 7117, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 170,1069,1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  29-2:7118     0 AMB  29-1:7118   3.30    (#   7118:29   Double Ambig)
 &rst
  ixpk= 7118, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1072,1073, 173, 879,
 igr2= 179, 180, 181, 888, 889, 890,
 &end
#
#   55 HIS  HD2          62 LEU  HD21        5.00    (#   7123:29   Unique)
 &rst
  ixpk= 7123, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7302    26 THR  HB          5.00    (#   7302:29   Single Ambig)
 &rst
  ixpk= 7302, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   27 GLN  HN           26 THR  HB          5.00    (#   7303:29   Unique)
 &rst
  ixpk= 7303, iat= 372, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           26 THR  HB          3.30    (#   7304:29   Unique)
 &rst
  ixpk= 7304, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:7306    26 THR  HB          2.70    (#   7306:29   Single Ambig)
 &rst
  ixpk= 7306, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 364, 365, 366, 309, 310, 311,
 &end
#
#   16 VAL  HN           16 VAL  MG2         5.00    (#   7318:29   Unique)
 &rst
  ixpk= 7318, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   17 CYS  HN           16 VAL  MG2         5.00    (#   7319:29   Unique)
 &rst
  ixpk= 7319, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HA           16 VAL  MG2         3.30    (#   7321:29   Unique)
 &rst
  ixpk= 7321, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  29-2:7322    16 VAL  MG2         5.00    (#   7322:29   Single Ambig)
 &rst
  ixpk= 7322, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 998, 999,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  29-2:7323    16 VAL  MG2         2.70    (#   7323:29   Single Ambig)
 &rst
  ixpk= 7323, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 995, 996, 241,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG2          16 VAL  MG2         6.00    (#   7324:29   Unique)
 &rst
  ixpk= 7324, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   62 LEU  HA           62 LEU  HD21        3.30    (#   7332:29   Unique)
 &rst
  ixpk= 7332, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7333    62 LEU  HD21        5.00    (#   7333:29   Single Ambig)
 &rst
  ixpk= 7333, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 915, 436,
 igr2= 888, 889, 890,
 &end
#
#   32 PRO  HD1          62 LEU  HD21        5.00    (#   7334:29   Unique)
 &rst
  ixpk= 7334, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 445, 446,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7335    62 LEU  HD21        5.00    (#   7335:29   Single Ambig)
 &rst
  ixpk= 7335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 888, 889, 890,
 &end
#
#   56 CYS  HB1          62 LEU  HD21        5.00    (#   7336:29   Unique)
 &rst
  ixpk= 7336, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HG           62 LEU  HD21        3.30    (#   7337:29   Unique)
 &rst
  ixpk= 7337, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  29-2:7504    33 THR  HG21        5.00    (#   7504:29   Single Ambig)
 &rst
  ixpk= 7504, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472, 482,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HB           33 THR  HG21        2.70    (#   7505:29   Unique)
 &rst
  ixpk= 7505, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7506    33 THR  HG21        3.30    (#   7506:29   Single Ambig)
 &rst
  ixpk= 7506, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 460, 766, 767,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HG21        5.00    (#   7510:29   Unique)
 &rst
  ixpk= 7510, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB1          33 THR  HG21        5.00    (#   7512:29   Unique)
 &rst
  ixpk= 7512, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 783, 784,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB2          33 THR  HG21        5.00    (#   7513:29   Unique)
 &rst
  ixpk= 7513, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7515    33 THR  HG21        5.00    (#   7515:29   Single Ambig)
 &rst
  ixpk= 7515, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 545, 448, 449, 759,
 igr2= 464, 465, 466,
 &end
#
#   54 PRO  HG1          33 THR  HG21        5.00    (#   7516:29   Unique)
 &rst
  ixpk= 7516, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 769, 770,
 igr2= 464, 465, 466,
 &end
#
#   54 PRO  HG2          33 THR  HG21        5.00    (#   7518:29   Unique)
 &rst
  ixpk= 7518, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 769, 770,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG1          33 THR  HG21        3.30    (#   7526:29   Unique)
 &rst
  ixpk= 7526, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 547, 548, 549,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG2          33 THR  HG21        5.00    (#   7527:29   Unique)
 &rst
  ixpk= 7527, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  29-2:7530    16 VAL  MG2         3.30    (#   7530:29   Single Ambig)
 &rst
  ixpk= 7530, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 995, 996, 990,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG1          16 VAL  MG2         5.00    (#   7532:29   Unique)
 &rst
  ixpk= 7532, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HN           16 VAL  MG1         5.00    (#   8192:29   Unique)
 &rst
  ixpk= 8192, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   17 CYS  HN           16 VAL  MG1         5.00    (#   8193:29   Unique)
 &rst
  ixpk= 8193, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   23 LYS  HA           16 VAL  MG1         5.00    (#   8194:29   Unique)
 &rst
  ixpk= 8194, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8195     0 AMB  29-1:8195   3.30    (#   8195:29   Double Ambig)
 &rst
  ixpk= 8195, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 239, 338, 339, 766, 767,
 igr2= 243, 244, 245, 547, 548, 549,
 &end
#
#    0 AMB  29-2:8196    16 VAL  MG1         5.00    (#   8196:29   Single Ambig)
 &rst
  ixpk= 8196, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 338, 339, 258,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8197    16 VAL  MG1         5.00    (#   8197:29   Single Ambig)
 &rst
  ixpk= 8197, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 257, 230,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  29-2:8198    16 VAL  MG1         2.70    (#   8198:29   Single Ambig)
 &rst
  ixpk= 8198, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 241, 344, 345,
 igr2= 243, 244, 245,
 &end
#
#   40 VAL  HN           40 VAL  MG1         5.00    (#   8342:29   Unique)
 &rst
  ixpk= 8342, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   41 GLN  HN           40 VAL  MG1         5.00    (#   8343:29   Unique)
 &rst
  ixpk= 8343, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HA           40 VAL  MG1         5.00    (#   8346:29   Unique)
 &rst
  ixpk= 8346, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   40 VAL  HA           40 VAL  MG1         3.30    (#   8347:29   Unique)
 &rst
  ixpk= 8347, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HA           40 VAL  MG1         3.30    (#   8348:29   Unique)
 &rst
  ixpk= 8348, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  29-2:8349    40 VAL  MG1         5.00    (#   8349:29   Single Ambig)
 &rst
  ixpk= 8349, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HB3          40 VAL  MG1         5.00    (#   8350:29   Unique)
 &rst
  ixpk= 8350, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HB1          40 VAL  MG1         5.00    (#   8351:29   Unique)
 &rst
  ixpk= 8351, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HB2          40 VAL  MG1         5.00    (#   8352:29   Unique)
 &rst
  ixpk= 8352, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  29-2:8353     0 AMB  29-1:8353   2.70    (#   8353:29   Double Ambig)
 &rst
  ixpk= 8353, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 759, 341, 342, 545,
 igr2= 547, 548, 549, 243, 244, 245,
 &end
#
#   33 THR  HG21         40 VAL  MG1         3.30    (#   8354:29   Unique)
 &rst
  ixpk= 8354, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 464, 465, 466,
 igr2= 547, 548, 549,
 &end
#
#   76 VAL  HN           76 VAL  MGX         5.00    (#   8478:29   Unique)
 &rst
  ixpk= 8478, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8479    76 VAL  MGX         5.00    (#   8479:29   Single Ambig)
 &rst
  ixpk= 8479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 237,1105,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGX         5.00    (#   8483:29   Unique)
 &rst
  ixpk= 8483, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGX         5.00    (#   8484:29   Unique)
 &rst
  ixpk= 8484, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.30    (#   8485:29   Unique)
 &rst
  ixpk= 8485, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGX         5.00    (#   8486:29   Unique)
 &rst
  ixpk= 8486, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB3          76 VAL  MGX         5.00    (#   8487:29   Unique)
 &rst
  ixpk= 8487, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGX         5.00    (#   8488:29   Unique)
 &rst
  ixpk= 8488, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB2          76 VAL  MGX         5.00    (#   8489:29   Unique)
 &rst
  ixpk= 8489, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8491    76 VAL  MGX         5.00    (#   8491:29   Single Ambig)
 &rst
  ixpk= 8491, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 241,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8492    76 VAL  MGX         5.00    (#   8492:29   Single Ambig)
 &rst
  ixpk= 8492, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 189, 190, 204, 205,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8493    76 VAL  MGX         5.00    (#   8493:29   Single Ambig)
 &rst
  ixpk= 8493, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGX         5.00    (#   8494:29   Unique)
 &rst
  ixpk= 8494, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:8657     0 AMB  29-1:8657   5.00    (#   8657:29   Double Ambig)
 &rst
  ixpk= 8657, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  29, 156,
 &end
#
#   11 LEU  HN           10 THR  HB          5.00    (#   8658:29   Unique)
 &rst
  ixpk= 8658, iat= 166, 156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:8661     0 AMB  29-1:8661   5.00    (#   8661:29   Double Ambig)
 &rst
  ixpk= 8661, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 123,  43,  44,1124,1125, 145, 146,
 igr2= 156,  29,
 &end
#
#    0 AMB  29-2:8662    10 THR  HB          5.00    (#   8662:29   Single Ambig)
 &rst
  ixpk= 8662, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 170,1124,1125,
 &end
#
#   10 THR  HN           10 THR  HG21        5.00    (#   8679:29   Unique)
 &rst
  ixpk= 8679, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#   11 LEU  HN           10 THR  HG21        5.00    (#   8680:29   Unique)
 &rst
  ixpk= 8680, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  29-2:8682    10 THR  HG21        6.00    (#   8682:29   Single Ambig)
 &rst
  ixpk= 8682, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1107, 148,
 igr2= 158, 159, 160,
 &end
#
#   10 THR  HA           10 THR  HG21        5.00    (#   8683:29   Unique)
 &rst
  ixpk= 8683, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#   78 ARG  HD1          10 THR  HG21        5.00    (#   8684:29   Unique)
 &rst
  ixpk= 8684, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1130,1131,
 igr2= 158, 159, 160,
 &end
#
#    2 VAL  HB            3 THR  HG21        5.00    (#   8686:29   Unique)
 &rst
  ixpk= 8686, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  31,  32,  33,
 &end
#
#    0 AMB  29-2:8687    10 THR  HG21        5.00    (#   8687:29   Single Ambig)
 &rst
  ixpk= 8687, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 123, 145, 146,
 igr2= 158, 159, 160,
 &end
#
#   26 THR  HB           26 THR  HG21        2.70    (#   8691:29   Unique)
 &rst
  ixpk= 8691, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 364, 365, 366,
 &end
#
#   23 LYS  HE1          26 THR  HG21        5.00    (#   8692:29   Unique)
 &rst
  ixpk= 8692, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB2          26 THR  HG21        5.00    (#   8693:29   Unique)
 &rst
  ixpk= 8693, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   26 THR  HN           26 THR  HG21        5.00    (#   8694:29   Unique)
 &rst
  ixpk= 8694, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB3          26 THR  HG21        5.00    (#   8697:29   Unique)
 &rst
  ixpk= 8697, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  29-2:8698    52 THR  HG21        5.00    (#   8698:29   Single Ambig)
 &rst
  ixpk= 8698, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 813, 814, 813, 814,
 igr2= 747, 748, 749,
 &end
#
#   23 LYS  HD1          26 THR  HG21        3.30    (#   8699:29   Unique)
 &rst
  ixpk= 8699, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 325, 326,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  29-2:8700    26 THR  HG21        5.00    (#   8700:29   Single Ambig)
 &rst
  ixpk= 8700, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 920, 921, 322, 323,
 igr2= 364, 365, 366,
 &end
#
#   40 VAL  MG2          52 THR  HG21        5.00    (#   8709:29   Unique)
 &rst
  ixpk= 8709, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 747, 748, 749,
 &end
#
#   62 LEU  HN           61 THR  HG21        5.00    (#   8710:29   Unique)
 &rst
  ixpk= 8710, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   31 CYS  HN           61 THR  HG21        5.00    (#   8711:29   Unique)
 &rst
  ixpk= 8711, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HN           61 THR  HG21        5.00    (#   8712:29   Unique)
 &rst
  ixpk= 8712, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HA           61 THR  HG21        3.30    (#   8714:29   Unique)
 &rst
  ixpk= 8714, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8719    61 THR  HG21        2.70    (#   8719:29   Single Ambig)
 &rst
  ixpk= 8719, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 422, 865,
 igr2= 867, 868, 869,
 &end
#
#   28 PRO  HG2          61 THR  HG21        5.00    (#   8720:29   Unique)
 &rst
  ixpk= 8720, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8722    61 THR  HG21        5.00    (#   8722:29   Single Ambig)
 &rst
  ixpk= 8722, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 396, 397, 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  29-2:8903     0 AMB  29-1:8903   2.70    (#   8903:29   Double Ambig)
 &rst
  ixpk= 8903, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 129, 130, 158, 159, 160,  31,  32,  33,
 igr2= 156,  29,
 &end
#
#    0 AMB  29-2:8905    10 THR  HB          6.00    (#   8905:29   Single Ambig)
 &rst
  ixpk= 8905, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1107, 148,
 &end
#
#    0 AMB  29-2:8922     0 AMB  29-1:8922   2.70    (#   8922:29   Double Ambig)
 &rst
  ixpk= 8922, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 156,  29,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   52 THR  HN           52 THR  HG21        5.00    (#   8935:29   Unique)
 &rst
  ixpk= 8935, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  29-2:8936     0 AMB  29-1:8936   3.30    (#   8936:29   Double Ambig)
 &rst
  ixpk= 8936, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 823, 434, 935,
 igr2= 747, 748, 749, 426, 427, 428, 364, 365, 366,
 &end
#
#   58 GLY  HA1          52 THR  HG21        3.30    (#   8938:29   Unique)
 &rst
  ixpk= 8938, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 825, 826,
 igr2= 747, 748, 749,
 &end
#
#   52 THR  HA           52 THR  HG21        3.30    (#   8939:29   Unique)
 &rst
  ixpk= 8939, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  29-2:8940     0 AMB  29-1:8940   2.70    (#   8940:29   Double Ambig)
 &rst
  ixpk= 8940, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 424, 745,
 igr2= 426, 427, 428, 747, 748, 749,
 &end
#
#    0 AMB  29-2:8942     0 AMB  29-1:8942   5.00    (#   8942:29   Double Ambig)
 &rst
  ixpk= 8942, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 830, 482, 472,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#    0 AMB  29-2:8943     0 AMB  29-1:8943   5.00    (#   8943:29   Double Ambig)
 &rst
  ixpk= 8943, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 760, 439,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#    0 AMB  29-2:8944    52 THR  HG21        5.00    (#   8944:29   Single Ambig)
 &rst
  ixpk= 8944, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 igr2= 747, 748, 749,
 &end
#
#   31 CYS  HB2          30 THR  HG21        5.00    (#   8945:29   Unique)
 &rst
  ixpk= 8945, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  29-2:9389    49 VAL  MG1         5.00    (#   9389:29   Single Ambig)
 &rst
  ixpk= 9389, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 691, 707,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9391    49 VAL  MG1         5.00    (#   9391:29   Single Ambig)
 &rst
  ixpk= 9391, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 697, 698, 699,
 &end
#
#   49 VAL  HA           49 VAL  MG1         3.30    (#   9392:29   Unique)
 &rst
  ixpk= 9392, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 697, 698, 699,
 &end
#
#   41 GLN  HG1          49 VAL  MG1         5.00    (#   9396:29   Unique)
 &rst
  ixpk= 9396, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9397    49 VAL  MG1         3.30    (#   9397:29   Single Ambig)
 &rst
  ixpk= 9397, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 578, 579, 695, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9398    49 VAL  MG1         5.00    (#   9398:29   Single Ambig)
 &rst
  ixpk= 9398, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9399    49 VAL  MG1         5.00    (#   9399:29   Single Ambig)
 &rst
  ixpk= 9399, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 578, 579, 597, 598, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  29-2:9600    52 THR  HB          5.00    (#   9600:29   Single Ambig)
 &rst
  ixpk= 9600, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 825, 826, 775,
 &end
#
#    2 VAL  HB            2 VAL  MGX         5.00    (#   9639:29   Unique)
 &rst
  ixpk= 9639, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  15,  16,  17,  19,  20,  21,
 &end
#
#   52 THR  HN           52 THR  HB          3.30    (#   9882:29   Unique)
 &rst
  ixpk= 9882, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HN           52 THR  HB          5.00    (#   9883:29   Unique)
 &rst
  ixpk= 9883, iat= 755, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:9887    30 THR  HB          5.00    (#   9887:29   Single Ambig)
 &rst
  ixpk= 9887, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 501, 502, 405,
 &end
#
#    0 AMB  29-2:9891     0 AMB  29-1:9891   2.70    (#   9891:29   Double Ambig)
 &rst
  ixpk= 9891, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 426, 427, 428, 747, 748, 749,
 igr2= 424, 745,
 &end
#
#   30 THR  HN           30 THR  HB          3.30    (#   10060:29   Unique)
 &rst
  ixpk= 10060, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:10061    0 AMB  29-1:10061  5.00    (#   10061:29   Double Ambig)
 &rst
  ixpk= 10061, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 823,
 igr2= 424, 745,
 &end
#
#   23 LYS  HN           22 ALA  HB1         5.00    (#   10071:29   Unique)
 &rst
  ixpk= 10071, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HN           22 ALA  HB1         3.30    (#   10072:29   Unique)
 &rst
  ixpk= 10072, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#   20 SER  HG           22 ALA  HB1         6.00    (#   10073:29   Unique)
 &rst
  ixpk= 10073, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HA           22 ALA  HB1         2.70    (#   10075:29   Unique)
 &rst
  ixpk= 10075, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HA           22 ALA  HB1         5.00    (#   10077:29   Unique)
 &rst
  ixpk= 10077, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10078   22 ALA  HB1         5.00    (#   10078:29   Single Ambig)
 &rst
  ixpk= 10078, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 291, 300, 301,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10079   22 ALA  HB1         5.00    (#   10079:29   Single Ambig)
 &rst
  ixpk= 10079, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 393, 394, 917, 918,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HB1         5.00    (#   10083:29   Unique)
 &rst
  ixpk= 10083, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG21         22 ALA  HB1         5.00    (#   10084:29   Unique)
 &rst
  ixpk= 10084, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  29-2:10085   22 ALA  HB1         6.00    (#   10085:29   Single Ambig)
 &rst
  ixpk= 10085, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 948, 949, 338, 339,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG11         22 ALA  HB1         5.00    (#   10086:29   Unique)
 &rst
  ixpk= 10086, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 904, 905,
 igr2= 309, 310, 311,
 &end
#
#   27 GLN  HA           22 ALA  HB1         5.00    (#   10239:29   Unique)
 &rst
  ixpk= 10239, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HG2          22 ALA  HB1         5.00    (#   10240:29   Unique)
 &rst
  ixpk= 10240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 309, 310, 311,
 &end
#
#   49 VAL  HN           48 ALA  HB1         5.00    (#   10580:29   Unique)
 &rst
  ixpk= 10580, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#   48 ALA  HN           48 ALA  HB1         5.00    (#   10581:29   Unique)
 &rst
  ixpk= 10581, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10583   48 ALA  HB1         2.70    (#   10583:29   Single Ambig)
 &rst
  ixpk= 10583, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 683, 559,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HA           48 ALA  HB1         5.00    (#   10584:29   Unique)
 &rst
  ixpk= 10584, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10585   48 ALA  HB1         5.00    (#   10585:29   Single Ambig)
 &rst
  ixpk= 10585, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 619, 643, 693,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10587   48 ALA  HB1         5.00    (#   10587:29   Single Ambig)
 &rst
  ixpk= 10587, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 624, 625, 564, 565,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  29-2:10588   48 ALA  HB1         5.00    (#   10588:29   Single Ambig)
 &rst
  ixpk= 10588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 685, 686, 687,
 &end
#
#    2 VAL  HB            2 VAL  MGY         5.00    (#   10599:29   Unique)
 &rst
  ixpk= 10599, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  15,  16,  17,  19,  20,  21,
 &end
#
#    0 AMB  29-2:10603   49 VAL  MG2         5.00    (#   10603:29   Single Ambig)
 &rst
  ixpk= 10603, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 691,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10604   49 VAL  MG2         5.00    (#   10604:29   Single Ambig)
 &rst
  ixpk= 10604, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HA           49 VAL  MG2         5.00    (#   10605:29   Unique)
 &rst
  ixpk= 10605, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10609   49 VAL  MG2         3.30    (#   10609:29   Single Ambig)
 &rst
  ixpk= 10609, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 714, 715, 578, 579, 711, 712,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  29-2:10615   49 VAL  MG2         5.00    (#   10615:29   Single Ambig)
 &rst
  ixpk= 10615, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 701, 702, 703,
 &end
#
#   76 VAL  HN           76 VAL  MGY         5.00    (#   11146:29   Unique)
 &rst
  ixpk= 11146, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11148   76 VAL  MGY         5.00    (#   11148:29   Single Ambig)
 &rst
  ixpk= 11148, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1105, 237,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGY         5.00    (#   11149:29   Unique)
 &rst
  ixpk= 11149, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11151   76 VAL  MGY         5.00    (#   11151:29   Single Ambig)
 &rst
  ixpk= 11151, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1091,1107,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGY         5.00    (#   11152:29   Unique)
 &rst
  ixpk= 11152, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGY         5.00    (#   11154:29   Unique)
 &rst
  ixpk= 11154, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11156   76 VAL  MGY         2.70    (#   11156:29   Single Ambig)
 &rst
  ixpk= 11156, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1093, 192, 193,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11157   76 VAL  MGY         5.00    (#   11157:29   Single Ambig)
 &rst
  ixpk= 11157, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 189, 190,1109,1110,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           33 THR  HB          5.00    (#   11312:29   Unique)
 &rst
  ixpk= 11312, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HN           33 THR  HB          5.00    (#   11313:29   Unique)
 &rst
  ixpk= 11313, iat= 472, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          33 THR  HB          5.00    (#   11317:29   Unique)
 &rst
  ixpk= 11317, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   33 THR  HG21         33 THR  HB          5.00    (#   11318:29   Unique)
 &rst
  ixpk= 11318, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   12 GLU  HB2          76 VAL  MGY         5.00    (#   11395:29   Unique)
 &rst
  ixpk= 11395, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 189, 190,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:11396   76 VAL  MGY         5.00    (#   11396:29   Single Ambig)
 &rst
  ixpk= 11396, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   42 MET  HG2          40 VAL  MG2         6.00    (#   11857:29   Unique)
 &rst
  ixpk= 11857, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 581, 582,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11858   40 VAL  MG2         3.30    (#   11858:29   Single Ambig)
 &rst
  ixpk= 11858, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 541, 724,
 igr2= 551, 552, 553,
 &end
#
#   41 GLN  HN           40 VAL  MG2         5.00    (#   11859:29   Unique)
 &rst
  ixpk= 11859, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   40 VAL  HA           40 VAL  MG2         5.00    (#   11860:29   Unique)
 &rst
  ixpk= 11860, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   53 CYS  HA           40 VAL  MG2         5.00    (#   11861:29   Unique)
 &rst
  ixpk= 11861, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD1          40 VAL  MG2         5.00    (#   11862:29   Unique)
 &rst
  ixpk= 11862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD2          40 VAL  MG2         5.00    (#   11863:29   Unique)
 &rst
  ixpk= 11863, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11864   40 VAL  MG2         5.00    (#   11864:29   Single Ambig)
 &rst
  ixpk= 11864, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 731, 732, 772, 773,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  29-2:11865   40 VAL  MG2         2.70    (#   11865:29   Single Ambig)
 &rst
  ixpk= 11865, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 545, 759, 531, 532,
 igr2= 551, 552, 553,
 &end
#
#   50 GLN  HG2          40 VAL  MG2         5.00    (#   11866:29   Unique)
 &rst
  ixpk= 11866, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 715,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         40 VAL  MG2         5.00    (#   11867:29   Unique)
 &rst
  ixpk= 11867, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HN           33 THR  HA          5.00    (#   12470:29   Unique)
 &rst
  ixpk= 12470, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         33 THR  HA          5.00    (#   12703:29   Unique)
 &rst
  ixpk= 12703, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   65 ASP  HN           63 ILE  HG21        5.00    (#   13281:29   Unique)
 &rst
  ixpk= 13281, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  29-2:13284   63 ILE  HG21        2.70    (#   13284:29   Single Ambig)
 &rst
  ixpk= 13284, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 957, 307,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HA           63 ILE  HG21        5.00    (#   13285:29   Unique)
 &rst
  ixpk= 13285, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  29-2:13286   63 ILE  HG21        5.00    (#   13286:29   Single Ambig)
 &rst
  ixpk= 13286, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HB           63 ILE  HG21        3.30    (#   13287:29   Unique)
 &rst
  ixpk= 13287, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 900, 901, 902,
 &end
#
#   22 ALA  HB1          63 ILE  HG21        5.00    (#   13289:29   Unique)
 &rst
  ixpk= 13289, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 igr2= 900, 901, 902,
 &end
#
#    6 ILE  HA            6 ILE  HG21        5.00    (#   13631:29   Unique)
 &rst
  ixpk= 13631, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  29-2:13636    6 ILE  HG21        3.30    (#   13636:29   Single Ambig)
 &rst
  ixpk= 13636, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  80,  43,  44,
 igr2=  82,  83,  84,
 &end
#
#   42 MET  HG2          42 MET  HE1         5.00    (#   13799:29   Unique)
 &rst
  ixpk= 13799, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 581, 582,
 igr2= 587, 588, 589,
 &end
#
#    9 PRO  HD2           8 ILE  HG21        5.00    (#   13825:29   Unique)
 &rst
  ixpk= 13825, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    8 ILE  HA            8 ILE  HG21        5.00    (#   13828:29   Unique)
 &rst
  ixpk= 13828, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  29-2:13829    8 ILE  HG21        3.30    (#   13829:29   Single Ambig)
 &rst
  ixpk= 13829, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 123,  80,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  29-2:13833   63 ILE  HG21        5.00    (#   13833:29   Single Ambig)
 &rst
  ixpk= 13833, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   14002:29   Unique)
 &rst
  ixpk= 14002, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           16 VAL  HA          5.00    (#   14003:29   Unique)
 &rst
  ixpk= 14003, iat= 253, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           16 VAL  HA          5.00    (#   14004:29   Unique)
 &rst
  ixpk= 14004, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:14005   16 VAL  HA          2.70    (#   14005:29   Single Ambig)
 &rst
  ixpk= 14005, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HA           24 PRO  HA          5.00    (#   14207:29   Unique)
 &rst
  ixpk= 14207, iat= 239, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           20 SER  HB3         6.00    (#   14209:29   Unique)
 &rst
  ixpk= 14209, iat= 865, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  29-2:14218    0 AMB  29-1:14218  6.00    (#   14218:29   Double Ambig)
 &rst
  ixpk= 14218, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1122, 347,
 igr2=1148,1149, 239,
 &end
#
#   16 VAL  HA           24 PRO  HA          5.00    (#   14378:29   Unique)
 &rst
  ixpk= 14378, iat= 239, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           20 SER  HB3         3.30    (#   14385:29   Unique)
 &rst
  ixpk= 14385, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   20 SER  HG           20 SER  HB3         5.00    (#   14386:29   Unique)
 &rst
  ixpk= 14386, iat= 294, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HB2         5.00    (#   14392:29   Unique)
 &rst
  ixpk= 14392, iat= 294, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           30 THR  HA          2.70    (#   14394:29   Unique)
 &rst
  ixpk= 14394, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   61 THR  HA           30 THR  HA          5.00    (#   14395:29   Unique)
 &rst
  ixpk= 14395, iat= 863, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         30 THR  HA          3.30    (#   14397:29   Unique)
 &rst
  ixpk= 14397, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         30 THR  HA          3.30    (#   14398:29   Unique)
 &rst
  ixpk= 14398, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  29-2:14400   79 SER  HB1         6.00    (#   14400:29   Single Ambig)
 &rst
  ixpk= 14400, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1091,1107,
 igr2=1148,1149,
 &end
#
#   79 SER  HA           79 SER  HB1         5.00    (#   14401:29   Unique)
 &rst
  ixpk= 14401, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1148,1149,
 &end
#
#    0 AMB  29-2:14577   24 PRO  HA          5.00    (#   14577:29   Single Ambig)
 &rst
  ixpk= 14577, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   24 PRO  HB1          24 PRO  HA          3.30    (#   14581:29   Unique)
 &rst
  ixpk= 14581, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   24 PRO  HB2          24 PRO  HA          3.30    (#   14582:29   Unique)
 &rst
  ixpk= 14582, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   20 SER  HN           20 SER  HB2         5.00    (#   14586:29   Unique)
 &rst
  ixpk= 14586, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:14745   52 THR  HA          5.00    (#   14745:29   Single Ambig)
 &rst
  ixpk= 14745, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#    0 AMB  29-2:14874   52 THR  HA          5.00    (#   14874:29   Single Ambig)
 &rst
  ixpk= 14874, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 724,
 &end
#
#   52 THR  HN           52 THR  HA          5.00    (#   14875:29   Unique)
 &rst
  ixpk= 14875, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HA          3.30    (#   14876:29   Unique)
 &rst
  ixpk= 14876, iat= 755, 743, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HA           52 THR  HA          5.00    (#   14877:29   Unique)
 &rst
  ixpk= 14877, iat= 526, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         52 THR  HA          3.30    (#   14880:29   Unique)
 &rst
  ixpk= 14880, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  29-2:15230   32 PRO  HA          5.00    (#   15230:29   Single Ambig)
 &rst
  ixpk= 15230, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#    0 AMB  29-2:15233   32 PRO  HA          5.00    (#   15233:29   Single Ambig)
 &rst
  ixpk= 15233, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 424,
 &end
#
#   32 PRO  HB1          32 PRO  HA          3.30    (#   15235:29   Unique)
 &rst
  ixpk= 15235, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,
 &end
#
#   32 PRO  HB2          32 PRO  HA          3.30    (#   15236:29   Unique)
 &rst
  ixpk= 15236, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 451, 452,
 &end
#
#    0 AMB  29-2:15344   54 PRO  HA          5.00    (#   15344:29   Single Ambig)
 &rst
  ixpk= 15344, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 766, 767, 745,
 &end
#
#   54 PRO  HB1          54 PRO  HA          2.70    (#   15345:29   Unique)
 &rst
  ixpk= 15345, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#    0 AMB  29-2:15346    0 AMB  29-1:15346  2.70    (#   15346:29   Double Ambig)
 &rst
  ixpk= 15346, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#   57 GLN  HN           54 PRO  HA          5.00    (#   15349:29   Unique)
 &rst
  ixpk= 15349, iat= 806, 775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HD1          54 PRO  HA          5.00    (#   15351:29   Unique)
 &rst
  ixpk= 15351, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   10 THR  HN            9 PRO  HA          3.30    (#   15489:29   Unique)
 &rst
  ixpk= 15489, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    9 PRO  HB2           9 PRO  HA          3.30    (#   15497:29   Unique)
 &rst
  ixpk= 15497, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 145, 146,
 &end
#
#   29 GLN  HN           28 PRO  HA          2.70    (#   15793:29   Unique)
 &rst
  ixpk= 15793, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  29-2:15797   28 PRO  HA          3.30    (#   15797:29   Single Ambig)
 &rst
  ixpk= 15797, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 396, 397, 393, 394, 917, 918,
 &end
#
#   63 ILE  HD11         28 PRO  HA          5.00    (#   15798:29   Unique)
 &rst
  ixpk= 15798, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HA           28 PRO  HA          5.00    (#   15801:29   Unique)
 &rst
  ixpk= 15801, iat= 896, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HG2          28 PRO  HA          5.00    (#   15802:29   Unique)
 &rst
  ixpk= 15802, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 393, 394,
 &end
#
#    0 AMB  29-2:16153    2 VAL  HA          5.00    (#   16153:29   Single Ambig)
 &rst
  ixpk= 16153, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,  19,  20,  21,  15,  16,  17,  19,
        20,  21,
 &end
#
#   67 CYS  HN           66 PRO  HA          3.30    (#   16293:29   Unique)
 &rst
  ixpk= 16293, iat= 961, 957, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   23 LYS  HN           66 PRO  HA          5.00    (#   16296:29   Unique)
 &rst
  ixpk= 16296, iat= 315, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:16299   66 PRO  HA          5.00    (#   16299:29   Single Ambig)
 &rst
  ixpk= 16299, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HA          5.00    (#   16300:29   Unique)
 &rst
  ixpk= 16300, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HA          3.30    (#   16301:29   Unique)
 &rst
  ixpk= 16301, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  29-2:16426    0 AMB  29-1:16426  3.30    (#   16426:29   Double Ambig)
 &rst
  ixpk= 16426, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 154,  27,
 &end
#
#    0 AMB  29-2:16546    0 AMB  29-1:16546  5.00    (#   16546:29   Double Ambig)
 &rst
  ixpk= 16546, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 170,1124,1125,  49,  50,
 igr2= 154,  27,
 &end
#
#    0 AMB  29-2:16547    0 AMB  29-1:16547  5.00    (#   16547:29   Double Ambig)
 &rst
  ixpk= 16547, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  27, 154,
 &end
#
#   11 LEU  HN           10 THR  HA          3.30    (#   16548:29   Unique)
 &rst
  ixpk= 16548, iat= 166, 154, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HA           10 THR  HA          5.00    (#   16552:29   Unique)
 &rst
  ixpk= 16552, iat= 168, 154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:16766   63 ILE  HD11        5.00    (#   16766:29   Single Ambig)
 &rst
  ixpk= 16766, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 403,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16770   63 ILE  HD11        5.00    (#   16770:29   Single Ambig)
 &rst
  ixpk= 16770, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16771   63 ILE  HD11        5.00    (#   16771:29   Single Ambig)
 &rst
  ixpk= 16771, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 307, 957,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HA           63 ILE  HD11        5.00    (#   16772:29   Unique)
 &rst
  ixpk= 16772, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16773   63 ILE  HD11        5.00    (#   16773:29   Single Ambig)
 &rst
  ixpk= 16773, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 291,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  29-2:16774   63 ILE  HD11        5.00    (#   16774:29   Single Ambig)
 &rst
  ixpk= 16774, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 840, 841, 800,
 igr2= 907, 908, 909,
 &end
#
#   28 PRO  HG2          63 ILE  HD11        5.00    (#   16775:29   Unique)
 &rst
  ixpk= 16775, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HD11        3.30    (#   16776:29   Unique)
 &rst
  ixpk= 16776, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HG11         63 ILE  HD11        2.70    (#   16777:29   Unique)
 &rst
  ixpk= 16777, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 904, 905,
 igr2= 907, 908, 909,
 &end
#
#   15 ASP  HN           14 CYS  HA          2.70    (#   16893:29   Unique)
 &rst
  ixpk= 16893, iat= 225, 217, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   14 CYS  HN           14 CYS  HA          5.00    (#   16894:29   Unique)
 &rst
  ixpk= 16894, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB3          14 CYS  HA          5.00    (#   16896:29   Unique)
 &rst
  ixpk= 16896, iat= 220, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HA          3.30    (#   16897:29   Unique)
 &rst
  ixpk= 16897, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  MGY          14 CYS  HA          5.00    (#   16899:29   Unique)
 &rst
  ixpk= 16899, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  29-2:16987    6 ILE  HA          5.00    (#   16987:29   Single Ambig)
 &rst
  ixpk= 16987, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    7 ARG  HN            6 ILE  HA          3.30    (#   17095:29   Unique)
 &rst
  ixpk= 17095, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:17099    6 ILE  HA          5.00    (#   17099:29   Single Ambig)
 &rst
  ixpk= 17099, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    0 AMB  29-2:17100    6 ILE  HA          5.00    (#   17100:29   Single Ambig)
 &rst
  ixpk= 17100, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  89,  90,  91,
 &end
#
#    6 ILE  HB            6 ILE  HA          5.00    (#   17104:29   Unique)
 &rst
  ixpk= 17104, iat=  80,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 ILE  HA            0 AMB  29-1:17122  5.00    (#   17122:29   Single Ambig)
 &rst
  ixpk= 17122, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  29-2:17123    0 AMB  29-1:17123  5.00    (#   17123:29   Double Ambig)
 &rst
  ixpk= 17123, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  80, 123,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17124    0 AMB  29-1:17124  2.70    (#   17124:29   Double Ambig)
 &rst
  ixpk= 17124, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  86,  87, 904, 905, 129, 130,
 igr2=  89,  90,  91, 907, 908, 909, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17125    0 AMB  29-1:17125  3.30    (#   17125:29   Double Ambig)
 &rst
  ixpk= 17125, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  86,  87, 129, 130,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  29-2:17337   49 VAL  HA          2.70    (#   17337:29   Single Ambig)
 &rst
  ixpk= 17337, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 707, 691,
 &end
#
#   41 GLN  HG1          49 VAL  HA          5.00    (#   17339:29   Unique)
 &rst
  ixpk= 17339, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#    0 AMB  29-2:17340   49 VAL  HA          3.30    (#   17340:29   Single Ambig)
 &rst
  ixpk= 17340, iat= 695, 693, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:17341   49 VAL  HA          6.00    (#   17341:29   Single Ambig)
 &rst
  ixpk= 17341, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 562,
 &end
#
#   49 VAL  MG1          49 VAL  HA          3.30    (#   17342:29   Unique)
 &rst
  ixpk= 17342, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 697, 698, 699,
 &end
#
#    0 AMB  29-2:17469   63 ILE  HA          5.00    (#   17469:29   Single Ambig)
 &rst
  ixpk= 17469, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 894, 403,
 &end
#
#   64 LYS  HN           63 ILE  HA          3.30    (#   17470:29   Unique)
 &rst
  ixpk= 17470, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   28 PRO  HA           63 ILE  HA          5.00    (#   17472:29   Unique)
 &rst
  ixpk= 17472, iat= 399, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HB           63 ILE  HA          5.00    (#   17474:29   Unique)
 &rst
  ixpk= 17474, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HG11         63 ILE  HA          5.00    (#   17475:29   Unique)
 &rst
  ixpk= 17475, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HA          5.00    (#   17476:29   Unique)
 &rst
  ixpk= 17476, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         63 ILE  HA          3.30    (#   17477:29   Unique)
 &rst
  ixpk= 17477, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 900, 901, 902,
 &end
#
#   79 SER  HN           79 SER  HA          5.00    (#   17751:29   Unique)
 &rst
  ixpk= 17751, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           20 SER  HA          5.00    (#   17753:29   Unique)
 &rst
  ixpk= 17753, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:17754   20 SER  HA          6.00    (#   17754:29   Single Ambig)
 &rst
  ixpk= 17754, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1043, 282, 283,
 &end
#
#    0 AMB  29-2:17760   20 SER  HA          3.30    (#   17760:29   Single Ambig)
 &rst
  ixpk= 17760, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   79 SER  HB1          79 SER  HA          3.30    (#   17761:29   Unique)
 &rst
  ixpk= 17761, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1148,1149,
 &end
#
#   37 SER  HN           37 SER  HA          5.00    (#   17895:29   Unique)
 &rst
  ixpk= 17895, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           76 VAL  HA          5.00    (#   17977:29   Unique)
 &rst
  ixpk= 17977, iat=1089,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HA          2.70    (#   17978:29   Unique)
 &rst
  ixpk= 17978, iat=1105,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  HB           76 VAL  HA          2.70    (#   17982:29   Unique)
 &rst
  ixpk= 17982, iat=1093,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HB2          76 VAL  HA          6.00    (#   17983:29   Unique)
 &rst
  ixpk= 17983, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 189, 190,
 &end
#
#   76 VAL  MGX          76 VAL  HA          3.30    (#   17984:29   Unique)
 &rst
  ixpk= 17984, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         76 VAL  HA          5.00    (#   17985:29   Unique)
 &rst
  ixpk= 17985, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   68 ASN  HN           67 CYS  HA          3.30    (#   17991:29   Unique)
 &rst
  ixpk= 17991, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 CYS  HB3          67 CYS  HA          5.00    (#   17994:29   Unique)
 &rst
  ixpk= 17994, iat= 966, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           67 CYS  HA          5.00    (#   18123:29   Unique)
 &rst
  ixpk= 18123, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  HA           67 CYS  HA          5.00    (#   18125:29   Unique)
 &rst
  ixpk= 18125, iat= 317, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HA          5.00    (#   18127:29   Unique)
 &rst
  ixpk= 18127, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           67 CYS  HA          5.00    (#   18128:29   Unique)
 &rst
  ixpk= 18128, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 319, 320,
 &end
#
#    0 AMB  29-2:18129   67 CYS  HA          5.00    (#   18129:29   Single Ambig)
 &rst
  ixpk= 18129, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 322, 323, 322, 323,
 &end
#
#   41 GLN  HN           40 VAL  HA          3.30    (#   18258:29   Unique)
 &rst
  ixpk= 18258, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  29-2:18260   40 VAL  HA          5.00    (#   18260:29   Single Ambig)
 &rst
  ixpk= 18260, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 574,
 &end
#
#    0 AMB  29-2:18263   40 VAL  HA          5.00    (#   18263:29   Single Ambig)
 &rst
  ixpk= 18263, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 545, 759,
 &end
#
#    0 AMB  29-2:18264   40 VAL  HA          5.00    (#   18264:29   Single Ambig)
 &rst
  ixpk= 18264, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 561, 562, 528, 728,
 &end
#
#   40 VAL  MG1          40 VAL  HA          5.00    (#   18265:29   Unique)
 &rst
  ixpk= 18265, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HA          5.00    (#   18266:29   Unique)
 &rst
  ixpk= 18266, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  29-2:18671    8 ILE  HA          5.00    (#   18671:29   Single Ambig)
 &rst
  ixpk= 18671, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HN            8 ILE  HA          5.00    (#   18672:29   Unique)
 &rst
  ixpk= 18672, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HD1           8 ILE  HA          3.30    (#   18673:29   Unique)
 &rst
  ixpk= 18673, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    9 PRO  HD2           8 ILE  HA          3.30    (#   18674:29   Unique)
 &rst
  ixpk= 18674, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    8 ILE  HB            8 ILE  HA          5.00    (#   18676:29   Unique)
 &rst
  ixpk= 18676, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18677    8 ILE  HA          5.00    (#   18677:29   Single Ambig)
 &rst
  ixpk= 18677, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HG21          8 ILE  HA          3.30    (#   18678:29   Unique)
 &rst
  ixpk= 18678, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 125, 126, 127,
 &end
#
#    0 AMB  29-2:18684   69 LYS  HA          5.00    (#   18684:29   Single Ambig)
 &rst
  ixpk= 18684, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1007,1017,
 &end
#
#   69 LYS  HN           69 LYS  HA          5.00    (#   18685:29   Unique)
 &rst
  ixpk= 18685, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18686    0 AMB  29-1:18686  3.30    (#   18686:29   Double Ambig)
 &rst
  ixpk= 18686, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 837, 838, 989,
 igr2= 832, 987,
 &end
#
#    0 AMB  29-2:18687   69 LYS  HA          3.30    (#   18687:29   Single Ambig)
 &rst
  ixpk= 18687, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 995, 996, 990,
 &end
#
#   69 LYS  HG2          69 LYS  HA          5.00    (#   18688:29   Unique)
 &rst
  ixpk= 18688, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   59 ARG  HN           59 ARG  HA          5.00    (#   18689:29   Unique)
 &rst
  ixpk= 18689, iat= 830, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18693   59 ARG  HA          5.00    (#   18693:29   Single Ambig)
 &rst
  ixpk= 18693, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   59 ARG  QB           59 ARG  HA          3.30    (#   18694:29   Unique)
 &rst
  ixpk= 18694, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   31 CYS  HN           61 THR  HA          3.30    (#   18807:29   Unique)
 &rst
  ixpk= 18807, iat= 434, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HN           61 THR  HA          3.30    (#   18810:29   Unique)
 &rst
  ixpk= 18810, iat= 875, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   61 THR  HN           61 THR  HA          5.00    (#   18811:29   Unique)
 &rst
  ixpk= 18811, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:18814   61 THR  HA          5.00    (#   18814:29   Single Ambig)
 &rst
  ixpk= 18814, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 422, 865,
 &end
#
#   61 THR  HG21         61 THR  HA          3.30    (#   18815:29   Unique)
 &rst
  ixpk= 18815, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   47 PHE  HN           46 PHE  HA          5.00    (#   18851:29   Unique)
 &rst
  ixpk= 18851, iat= 661, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HD1          46 PHE  HA          5.00    (#   18852:29   Unique)
 &rst
  ixpk= 18852, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 649, 657,
 &end
#
#   46 PHE  HB+          46 PHE  HA          5.00    (#   18856:29   Unique)
 &rst
  ixpk= 18856, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          46 PHE  HA          5.00    (#   18857:29   Unique)
 &rst
  ixpk= 18857, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   60 GLY  HN           59 ARG  HA          5.00    (#   18863:29   Unique)
 &rst
  ixpk= 18863, iat= 854, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB3          61 THR  HA          5.00    (#   19016:29   Unique)
 &rst
  ixpk= 19016, iat= 439, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HB2          61 THR  HA          5.00    (#   19017:29   Unique)
 &rst
  ixpk= 19017, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 396, 397,
 &end
#
#   28 PRO  HD1          61 THR  HA          6.00    (#   19018:29   Unique)
 &rst
  ixpk= 19018, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 390, 391,
 &end
#
#    0 AMB  29-2:19019   61 THR  HA          6.00    (#   19019:29   Single Ambig)
 &rst
  ixpk= 19019, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 834, 835, 408,
 &end
#
#   62 LEU  HD21         61 THR  HA          5.00    (#   19021:29   Unique)
 &rst
  ixpk= 19021, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   63 ILE  HG11         61 THR  HA          6.00    (#   19023:29   Unique)
 &rst
  ixpk= 19023, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 904, 905,
 &end
#
#   73 HIS  HN           73 HIS  HA          5.00    (#   19048:29   Unique)
 &rst
  ixpk= 19048, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19051   73 HIS  HA          3.30    (#   19051:29   Single Ambig)
 &rst
  ixpk= 19051, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1045,1046, 300, 301,
 &end
#
#   60 GLY  HA2          61 THR  HA          5.00    (#   19142:29   Unique)
 &rst
  ixpk= 19142, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   13 GLU  HN           13 GLU  HA          5.00    (#   19287:29   Unique)
 &rst
  ixpk= 19287, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HN           13 GLU  HA          3.30    (#   19288:29   Unique)
 &rst
  ixpk= 19288, iat= 215, 202, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   75 ARG  HA           13 GLU  HA          5.00    (#   19289:29   Unique)
 &rst
  ixpk= 19289, iat=1067, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19290   13 GLU  HA          5.00    (#   19290:29   Single Ambig)
 &rst
  ixpk= 19290, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1075,1076, 220,
 &end
#
#   13 GLU  HB1          13 GLU  HA          3.30    (#   19291:29   Unique)
 &rst
  ixpk= 19291, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 204, 205,
 &end
#
#   13 GLU  HB2          13 GLU  HA          5.00    (#   19292:29   Unique)
 &rst
  ixpk= 19292, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  29-2:19294   13 GLU  HA          5.00    (#   19294:29   Single Ambig)
 &rst
  ixpk= 19294, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   55 HIS  HN           55 HIS  HA          6.00    (#   19484:29   Unique)
 &rst
  ixpk= 19484, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HD2          55 HIS  HA          6.00    (#   19486:29   Unique)
 &rst
  ixpk= 19486, iat= 792, 781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLY  HN           35 HIS  HA          5.00    (#   19500:29   Unique)
 &rst
  ixpk= 19500, iat= 499, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#   19501:29   Unique)
 &rst
  ixpk= 19501, iat= 482, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HA          6.00    (#   19504:29   Unique)
 &rst
  ixpk= 19504, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   64 LYS  HN           64 LYS  HA          5.00    (#   19512:29   Unique)
 &rst
  ixpk= 19512, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HN           64 LYS  HA          5.00    (#   19513:29   Unique)
 &rst
  ixpk= 19513, iat= 935, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  29-2:19520   64 LYS  HA          3.30    (#   19520:29   Single Ambig)
 &rst
  ixpk= 19520, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918, 917, 918,
 &end
#
#   64 LYS  HG2          64 LYS  HA          5.00    (#   19521:29   Unique)
 &rst
  ixpk= 19521, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 920, 921,
 &end
#
#    0 AMB  29-2:19522   64 LYS  HA          5.00    (#   19522:29   Single Ambig)
 &rst
  ixpk= 19522, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 888, 889, 890, 884, 885, 886,
 &end
#
#   57 GLN  HN           57 GLN  HA          5.00    (#   19523:29   Unique)
 &rst
  ixpk= 19523, iat= 806, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         57 GLN  HA          6.00    (#   19525:29   Unique)
 &rst
  ixpk= 19525, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  29-2:19527   57 GLN  HA          5.00    (#   19527:29   Single Ambig)
 &rst
  ixpk= 19527, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   61 THR  HA           31 CYS  HN          5.00    (#     92:15   Unique)
 &rst
  ixpk= 92, iat= 863, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HA           31 CYS  HN          5.00    (#     93:15   Unique)
 &rst
  ixpk= 93, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           31 CYS  HN          6.00    (#     94:15   Unique)
 &rst
  ixpk= 94, iat= 875, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HB3          31 CYS  HN          5.00    (#     95:15   Unique)
 &rst
  ixpk= 95, iat= 439, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          5.00    (#     96:15   Unique)
 &rst
  ixpk= 96, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         31 CYS  HN          5.00    (#     97:15   Unique)
 &rst
  ixpk= 97, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         31 CYS  HN          5.00    (#     98:15   Unique)
 &rst
  ixpk= 98, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   31 CYS  HA           31 CYS  HN          5.00    (#    100:15   Unique)
 &rst
  ixpk= 100, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           53 CYS  HN          5.00    (#    103:15   Unique)
 &rst
  ixpk= 103, iat= 526, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HA1          53 CYS  HN          5.00    (#    104:15   Unique)
 &rst
  ixpk= 104, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#   53 CYS  HB2          53 CYS  HN          5.00    (#    105:15   Unique)
 &rst
  ixpk= 105, iat= 759, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:106     53 CYS  HN          6.00    (#    106:15   Single Ambig)
 &rst
  ixpk= 106, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 528, 728, 772, 773,
 &end
#
#   40 VAL  MG1          53 CYS  HN          6.00    (#    107:15   Unique)
 &rst
  ixpk= 107, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  HN           53 CYS  HN          5.00    (#    108:15   Unique)
 &rst
  ixpk= 108, iat= 541, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HN          5.00    (#    111:15   Unique)
 &rst
  ixpk= 111, iat= 757, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HA           53 CYS  HN          3.30    (#    112:15   Unique)
 &rst
  ixpk= 112, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:113     53 CYS  HN          5.00    (#    113:15   Single Ambig)
 &rst
  ixpk= 113, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 745, 766, 767,
 &end
#
#   53 CYS  HB1          53 CYS  HN          5.00    (#    114:15   Unique)
 &rst
  ixpk= 114, iat= 760, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         53 CYS  HN          5.00    (#    115:15   Unique)
 &rst
  ixpk= 115, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   40 VAL  MG2          53 CYS  HN          5.00    (#    116:15   Unique)
 &rst
  ixpk= 116, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   76 VAL  HN           14 CYS  HN          5.00    (#    123:15   Unique)
 &rst
  ixpk= 123, iat=1089, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:124     14 CYS  HN          6.00    (#    124:15   Single Ambig)
 &rst
  ixpk= 124, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 200, 237,1105,
 &end
#
#   75 ARG  HA           14 CYS  HN          5.00    (#    126:15   Unique)
 &rst
  ixpk= 126, iat=1067, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA1          14 CYS  HN          5.00    (#    127:15   Unique)
 &rst
  ixpk= 127, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 282, 283,
 &end
#
#   13 GLU  HA           14 CYS  HN          3.30    (#    128:15   Unique)
 &rst
  ixpk= 128, iat= 202, 215, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HB3          14 CYS  HN          5.00    (#    129:15   Unique)
 &rst
  ixpk= 129, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:130     14 CYS  HN          3.30    (#    130:15   Single Ambig)
 &rst
  ixpk= 130, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 219, 207, 208,
 &end
#
#   13 GLU  HB2          14 CYS  HN          5.00    (#    131:15   Unique)
 &rst
  ixpk= 131, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  15-2:132     14 CYS  HN          5.00    (#    132:15   Single Ambig)
 &rst
  ixpk= 132, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   76 VAL  MGY          14 CYS  HN          5.00    (#    133:15   Unique)
 &rst
  ixpk= 133, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HN           15 ASP  HN          6.00    (#    143:15   Unique)
 &rst
  ixpk= 143, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:144     15 ASP  HN          6.00    (#    144:15   Single Ambig)
 &rst
  ixpk= 144, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 253, 263,
 &end
#
#   15 ASP  HA           15 ASP  HN          5.00    (#    145:15   Unique)
 &rst
  ixpk= 145, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ASP  HB2          15 ASP  HN          5.00    (#    146:15   Unique)
 &rst
  ixpk= 146, iat= 229, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:147     15 ASP  HN          5.00    (#    147:15   Single Ambig)
 &rst
  ixpk= 147, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 207, 208, 219,
 &end
#
#    0 AMB  15-2:148     15 ASP  HN          5.00    (#    148:15   Single Ambig)
 &rst
  ixpk= 148, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 995, 996, 241,
 &end
#
#   76 VAL  MGY          15 ASP  HN          5.00    (#    149:15   Unique)
 &rst
  ixpk= 149, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           15 ASP  HN          3.30    (#    151:15   Unique)
 &rst
  ixpk= 151, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB3          15 ASP  HN          5.00    (#    152:15   Unique)
 &rst
  ixpk= 152, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  MG1          15 ASP  HN          6.00    (#    153:15   Unique)
 &rst
  ixpk= 153, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#   14 CYS  HB3          15 ASP  HN          5.00    (#    158:15   Unique)
 &rst
  ixpk= 158, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:160     64 LYS  HN          5.00    (#    160:15   Single Ambig)
 &rst
  ixpk= 160, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 917, 918, 917, 918,
 &end
#
#    6 ILE  HA            7 ARG  HN          5.00    (#    172:15   Unique)
 &rst
  ixpk= 172, iat=  78,  95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:174      7 ARG  HN          6.00    (#    174:15   Single Ambig)
 &rst
  ixpk= 174, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  89,  90,  91,  82,  83,  84,
 &end
#
#    0 AMB  15-2:189     68 ASN  HN          5.00    (#    189:15   Single Ambig)
 &rst
  ixpk= 189, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 973,1019,
 &end
#
#   67 CYS  HA           68 ASN  HN          5.00    (#    190:15   Unique)
 &rst
  ixpk= 190, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          68 ASN  HN          5.00    (#    191:15   Unique)
 &rst
  ixpk= 191, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#    0 AMB  15-2:193      8 ILE  HN          3.30    (#    193:15   Single Ambig (edited))
 &rst
  ixpk= 193, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 121,  97,
 &end
#
#    0 AMB  15-2:194      8 ILE  HN          5.00    (#    194:15   Single Ambig)
 &rst
  ixpk= 194, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 123,  80,
 &end
#
#    0 AMB  15-2:195      8 ILE  HN          5.00    (#    195:15   Single Ambig)
 &rst
  ixpk= 195, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  15-2:196      8 ILE  HN          5.00    (#    196:15   Single Ambig)
 &rst
  ixpk= 196, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  15-2:198      8 ILE  HN          5.00    (#    198:15   Single Ambig)
 &rst
  ixpk= 198, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 132, 133, 134,  82,  83,  84,
 &end
#
#   56 CYS  HN           55 HIS  HN          3.30    (#    206:15   Unique)
 &rst
  ixpk= 206, iat= 796, 779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   57 GLN  HN           55 HIS  HN          5.00    (#    207:15   Unique)
 &rst
  ixpk= 207, iat= 806, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           55 HIS  HN          6.00    (#    208:15   Unique)
 &rst
  ixpk= 208, iat= 798, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HA           55 HIS  HN          5.00    (#    209:15   Unique)
 &rst
  ixpk= 209, iat= 781, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           55 HIS  HN          5.00    (#    210:15   Unique)
 &rst
  ixpk= 210, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HD1          55 HIS  HN          5.00    (#    211:15   Unique)
 &rst
  ixpk= 211, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HD2          55 HIS  HN          5.00    (#    212:15   Unique)
 &rst
  ixpk= 212, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   55 HIS  HB1          55 HIS  HN          5.00    (#    213:15   Unique)
 &rst
  ixpk= 213, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HN          5.00    (#    214:15   Unique)
 &rst
  ixpk= 214, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:215     55 HIS  HN          5.00    (#    215:15   Single Ambig)
 &rst
  ixpk= 215, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 769, 770, 772, 773,
 &end
#
#   54 PRO  HG2          55 HIS  HN          5.00    (#    216:15   Unique)
 &rst
  ixpk= 216, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 769, 770,
 &end
#
#   33 THR  HG21         55 HIS  HN          5.00    (#    217:15   Unique)
 &rst
  ixpk= 217, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG2          55 HIS  HN          6.00    (#    218:15   Unique)
 &rst
  ixpk= 218, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  15-2:222     78 ARG  HN          3.30    (#    222:15   Single Ambig)
 &rst
  ixpk= 222, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   78 ARG  HA           78 ARG  HN          5.00    (#    223:15   Unique)
 &rst
  ixpk= 223, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HG1          78 ARG  HN          5.00    (#    224:15   Unique)
 &rst
  ixpk= 224, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#    0 AMB  15-2:225     78 ARG  HN          5.00    (#    225:15   Single Ambig)
 &rst
  ixpk= 225, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 192, 193,1112,1113,
 &end
#
#   78 ARG  HB+          78 ARG  HN          5.00    (#    226:15   Unique)
 &rst
  ixpk= 226, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   78 ARG  HB-          78 ARG  HN          5.00    (#    227:15   Unique)
 &rst
  ixpk= 227, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   11 LEU  HD21         78 ARG  HN          5.00    (#    228:15   Unique)
 &rst
  ixpk= 228, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   21 GLY  HN           22 ALA  HN          5.00    (#    230:15   Unique)
 &rst
  ixpk= 230, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           22 ALA  HN          5.00    (#    233:15   Unique)
 &rst
  ixpk= 233, iat= 255, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           22 ALA  HN          5.00    (#    234:15   Unique)
 &rst
  ixpk= 234, iat= 289, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:235      0 AMB  15-1:235    5.00    (#    235:15   Double Ambig)
 &rst
  ixpk= 235, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 317,
 igr2= 305, 961,
 &end
#
#    0 AMB  15-2:236      0 AMB  15-1:236    5.00    (#    236:15   Double Ambig)
 &rst
  ixpk= 236, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 300, 301, 291,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB3           0 AMB  15-1:237    5.00    (#    237:15   Single Ambig)
 &rst
  ixpk= 237, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 305, 961,
 &end
#
#   17 CYS  HB2          22 ALA  HN          5.00    (#    238:15   Unique)
 &rst
  ixpk= 238, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          22 ALA  HN          6.00    (#    239:15   Unique)
 &rst
  ixpk= 239, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   54 PRO  HB1          55 HIS  HN          6.00    (#    251:15   Unique)
 &rst
  ixpk= 251, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 772, 773,
 &end
#
#   43 ARG  HA           44 GLN  HN          5.00    (#    253:15   Unique)
 &rst
  ixpk= 253, iat= 595, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HN          6.00    (#    254:15   Unique)
 &rst
  ixpk= 254, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 624, 625,
 &end
#
#    0 AMB  15-2:255     44 GLN  HN          6.00    (#    255:15   Single Ambig)
 &rst
  ixpk= 255, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 621, 578, 579,
 &end
#
#    0 AMB  15-2:256     44 GLN  HN          5.00    (#    256:15   Single Ambig)
 &rst
  ixpk= 256, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 622, 578, 579,
 &end
#
#   47 PHE  HB3          48 ALA  HN          5.00    (#    257:15   Unique)
 &rst
  ixpk= 257, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HA           48 ALA  HN          3.30    (#    258:15   Unique)
 &rst
  ixpk= 258, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   47 PHE  HB2          48 ALA  HN          5.00    (#    259:15   Unique)
 &rst
  ixpk= 259, iat= 665, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          48 ALA  HN          3.30    (#    260:15   Unique)
 &rst
  ixpk= 260, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 685, 686, 687,
 &end
#
#   78 ARG  HA           79 SER  HN          2.70    (#    265:15   Unique)
 &rst
  ixpk= 265, iat=1122,1144, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   79 SER  HB1          79 SER  HN          5.00    (#    266:15   Unique)
 &rst
  ixpk= 266, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1148,1149,
 &end
#
#   78 ARG  HB+          79 SER  HN          5.00    (#    267:15   Unique)
 &rst
  ixpk= 267, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1124,1125,
 &end
#
#   21 GLY  HA2           0 AMB  15-1:270    5.00    (#    270:15   Single Ambig)
 &rst
  ixpk= 270, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,
 igr2= 305, 961,
 &end
#
#   63 ILE  HD11         22 ALA  HN          5.00    (#    271:15   Unique)
 &rst
  ixpk= 271, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  15-2:273     67 CYS  HN          3.30    (#    273:15   Single Ambig)
 &rst
  ixpk= 273, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 957, 307,1019,
 &end
#
#   67 CYS  HA           67 CYS  HN          5.00    (#    274:15   Unique)
 &rst
  ixpk= 274, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HN          5.00    (#    275:15   Unique)
 &rst
  ixpk= 275, iat= 966, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          67 CYS  HN          5.00    (#    276:15   Unique)
 &rst
  ixpk= 276, iat= 965, 961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:277     67 CYS  HN          5.00    (#    277:15   Single Ambig)
 &rst
  ixpk= 277, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          67 CYS  HN          5.00    (#    278:15   Unique)
 &rst
  ixpk= 278, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         67 CYS  HN          5.00    (#    279:15   Unique)
 &rst
  ixpk= 279, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  15-2:294     42 MET  HN          5.00    (#    294:15   Single Ambig)
 &rst
  ixpk= 294, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 691, 557,
 &end
#
#   41 GLN  HA           42 MET  HN          3.30    (#    295:15   Unique)
 &rst
  ixpk= 295, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   42 MET  HA           42 MET  HN          5.00    (#    296:15   Unique)
 &rst
  ixpk= 296, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:297     42 MET  HN          5.00    (#    297:15   Single Ambig)
 &rst
  ixpk= 297, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 581, 582, 581, 582,
 &end
#
#   41 GLN  HG1          42 MET  HN          5.00    (#    298:15   Unique)
 &rst
  ixpk= 298, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           42 MET  HN          5.00    (#    299:15   Unique)
 &rst
  ixpk= 299, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#    0 AMB  15-2:301     11 LEU  HN          6.00    (#    301:15   Single Ambig)
 &rst
  ixpk= 301, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1107, 148,
 &end
#
#   10 THR  HA           11 LEU  HN          3.30    (#    302:15   Unique)
 &rst
  ixpk= 302, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HB2          11 LEU  HN          5.00    (#    303:15   Unique)
 &rst
  ixpk= 303, iat= 170, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HG           11 LEU  HN          5.00    (#    304:15   Unique)
 &rst
  ixpk= 304, iat= 173, 166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:305     11 LEU  HN          5.00    (#    305:15   Single Ambig)
 &rst
  ixpk= 305, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 171, 158, 159, 160,
 &end
#
#    0 AMB  15-2:306     11 LEU  HN          5.00    (#    306:15   Single Ambig)
 &rst
  ixpk= 306, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 175, 176, 177,1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         11 LEU  HN          5.00    (#    307:15   Unique)
 &rst
  ixpk= 307, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   69 LYS  HB2          69 LYS  HN          3.30    (#    317:15   Unique)
 &rst
  ixpk= 317, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:318     69 LYS  HN          5.00    (#    318:15   Single Ambig)
 &rst
  ixpk= 318, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   76 VAL  HN           77 GLU  HN          6.00    (#    319:15   Unique)
 &rst
  ixpk= 319, iat=1089,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ILE  HA           63 ILE  HN          6.00    (#    320:15   Unique)
 &rst
  ixpk= 320, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:321     63 ILE  HN          5.00    (#    321:15   Single Ambig)
 &rst
  ixpk= 321, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 904, 905, 879,
 &end
#
#    0 AMB  15-2:322     63 ILE  HN          5.00    (#    322:15   Single Ambig)
 &rst
  ixpk= 322, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 880, 920, 921,
 &end
#
#   62 LEU  HD21         63 ILE  HN          5.00    (#    323:15   Unique)
 &rst
  ixpk= 323, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   50 GLN  HA           50 GLN  HN          3.30    (#    324:15   Unique)
 &rst
  ixpk= 324, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   70 CYS  HN           69 LYS  HN          3.30    (#    337:15   Unique)
 &rst
  ixpk= 337, iat=1007, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 ASN  HA           69 LYS  HN          5.00    (#    338:15   Unique)
 &rst
  ixpk= 338, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HN          5.00    (#    339:15   Unique)
 &rst
  ixpk= 339, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          69 LYS  HN          5.00    (#    340:15   Unique)
 &rst
  ixpk= 340, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          69 LYS  HN          5.00    (#    341:15   Unique)
 &rst
  ixpk= 341, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   69 LYS  HB3          69 LYS  HN          5.00    (#    342:15   Unique)
 &rst
  ixpk= 342, iat= 990, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HG2          69 LYS  HN          5.00    (#    343:15   Unique)
 &rst
  ixpk= 343, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 992, 993,
 &end
#
#   17 CYS  HN           16 VAL  HN          3.30    (#    345:15   Unique)
 &rst
  ixpk= 345, iat= 253, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           16 VAL  HN          5.00    (#    346:15   Unique)
 &rst
  ixpk= 346, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:347      0 AMB  15-1:347    5.00    (#    347:15   Double Ambig)
 &rst
  ixpk= 347, iat= 217, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:348      0 AMB  15-1:348    3.30    (#    348:15   Double Ambig)
 &rst
  ixpk= 348, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HB3          16 VAL  HN          6.00    (#    349:15   Unique)
 &rst
  ixpk= 349, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:350      0 AMB  15-1:350    2.70    (#    350:15   Double Ambig)
 &rst
  ixpk= 350, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   16 VAL  HB           16 VAL  HN          3.30    (#    351:15   Unique)
 &rst
  ixpk= 351, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:353     77 GLU  HN          2.70    (#    353:15   Single Ambig)
 &rst
  ixpk= 353, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=1091,1107,
 &end
#
#   77 GLU  HG1          77 GLU  HN          5.00    (#    354:15   Unique)
 &rst
  ixpk= 354, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#   76 VAL  HB           77 GLU  HN          3.30    (#    355:15   Unique)
 &rst
  ixpk= 355, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:356      0 AMB  15-1:356    3.30    (#    356:15   Double Ambig)
 &rst
  ixpk= 356, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HN          3.30    (#    358:15   Unique)
 &rst
  ixpk= 358, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:359     50 GLN  HN          5.00    (#    359:15   Single Ambig)
 &rst
  ixpk= 359, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 574,
 &end
#
#   49 VAL  HA           50 GLN  HN          2.70    (#    361:15   Unique)
 &rst
  ixpk= 361, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:362     50 GLN  HN          5.00    (#    362:15   Single Ambig)
 &rst
  ixpk= 362, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#    0 AMB  15-2:363     50 GLN  HN          3.30    (#    363:15   Single Ambig)
 &rst
  ixpk= 363, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 714, 715, 711, 712,
 &end
#
#    0 AMB  15-2:364     50 GLN  HN          3.30    (#    364:15   Single Ambig)
 &rst
  ixpk= 364, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 711, 712, 561, 562, 728,
 &end
#
#    0 AMB  15-2:365     50 GLN  HN          5.00    (#    365:15   Single Ambig)
 &rst
  ixpk= 365, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#    5 GLU  HA            6 ILE  HN          3.30    (#    367:15   Unique)
 &rst
  ixpk= 367, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    5 GLU  HB1           6 ILE  HN          6.00    (#    368:15   Unique)
 &rst
  ixpk= 368, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  65,  66,
 &end
#
#    0 AMB  15-2:369      6 ILE  HN          5.00    (#    369:15   Single Ambig)
 &rst
  ixpk= 369, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  80,  43,  44,
 &end
#
#   42 MET  HA           43 ARG  HN          3.30    (#    403:15   Unique)
 &rst
  ixpk= 403, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4 LYS  HA            5 GLU  HN          5.00    (#    406:15   Unique)
 &rst
  ixpk= 406, iat=  41,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           23 LYS  HN          6.00    (#    408:15   Unique)
 &rst
  ixpk= 408, iat= 255, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:409     23 LYS  HN          3.30    (#    409:15   Single Ambig)
 &rst
  ixpk= 409, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 307, 957,
 &end
#
#   23 LYS  HA           23 LYS  HN          5.00    (#    410:15   Unique)
 &rst
  ixpk= 410, iat= 317, 315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:411     23 LYS  HN          5.00    (#    411:15   Single Ambig)
 &rst
  ixpk= 411, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 963, 338, 339,
 &end
#
#   24 PRO  HD2          23 LYS  HN          6.00    (#    412:15   Unique)
 &rst
  ixpk= 412, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 338, 339,
 &end
#
#   65 ASP  HB2          23 LYS  HN          6.00    (#    413:15   Unique)
 &rst
  ixpk= 413, iat= 939, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:414     23 LYS  HN          6.00    (#    414:15   Single Ambig)
 &rst
  ixpk= 414, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 954, 955, 951, 952, 341, 342,
 &end
#
#   23 LYS  QB           23 LYS  HN          3.30    (#    415:15   Unique)
 &rst
  ixpk= 415, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          23 LYS  HN          5.00    (#    416:15   Unique)
 &rst
  ixpk= 416, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:417     23 LYS  HN          5.00    (#    417:15   Single Ambig)
 &rst
  ixpk= 417, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         23 LYS  HN          5.00    (#    418:15   Unique)
 &rst
  ixpk= 418, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   12 GLU  HA           13 GLU  HN          2.70    (#    428:15   Unique)
 &rst
  ixpk= 428, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 GLU  HA           13 GLU  HN          5.00    (#    429:15   Unique)
 &rst
  ixpk= 429, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:430     13 GLU  HN          5.00    (#    430:15   Single Ambig)
 &rst
  ixpk= 430, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 207, 208, 192, 193,
 &end
#
#    0 AMB  15-2:431     13 GLU  HN          2.70    (#    431:15   Single Ambig)
 &rst
  ixpk= 431, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 204, 205, 189, 190,
 &end
#
#   39 GLN  HA           51 GLN  HN          6.00    (#    436:15   Unique)
 &rst
  ixpk= 436, iat= 526, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:438     51 GLN  HN          5.00    (#    438:15   Single Ambig)
 &rst
  ixpk= 438, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 707, 741,
 &end
#
#   50 GLN  HA           51 GLN  HN          2.70    (#    439:15   Unique)
 &rst
  ixpk= 439, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:440     51 GLN  HN          5.00    (#    440:15   Single Ambig)
 &rst
  ixpk= 440, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 564, 565,
 &end
#
#    0 AMB  15-2:441     51 GLN  HN          3.30    (#    441:15   Single Ambig)
 &rst
  ixpk= 441, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 728, 528, 561, 562,
 &end
#
#    0 AMB  15-2:442     51 GLN  HN          5.00    (#    442:15   Single Ambig)
 &rst
  ixpk= 442, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715, 578, 579,
 &end
#
#    0 AMB  15-2:443     51 GLN  HN          6.00    (#    443:15   Single Ambig)
 &rst
  ixpk= 443, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 701, 702, 703, 547, 548, 549,
 &end
#
#   40 VAL  MG2          51 GLN  HN          5.00    (#    444:15   Unique)
 &rst
  ixpk= 444, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   29 GLN  HA           30 THR  HN          5.00    (#    446:15   Unique)
 &rst
  ixpk= 446, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HB           30 THR  HN          5.00    (#    447:15   Unique)
 &rst
  ixpk= 447, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLN  HB1          30 THR  HN          6.00    (#    448:15   Unique)
 &rst
  ixpk= 448, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 407, 408,
 &end
#
#   30 THR  HG21         30 THR  HN          6.00    (#    449:15   Unique)
 &rst
  ixpk= 449, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   62 LEU  HN           29 GLN  HN          5.00    (#    461:15   Unique)
 &rst
  ixpk= 461, iat= 875, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           29 GLN  HN          2.70    (#    462:15   Unique)
 &rst
  ixpk= 462, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 GLN  HG1          29 GLN  HN          5.00    (#    463:15   Unique)
 &rst
  ixpk= 463, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#    0 AMB  15-2:464     29 GLN  HN          3.30    (#    464:15   Single Ambig)
 &rst
  ixpk= 464, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 396, 397, 917, 918,
 &end
#
#   61 THR  HG21         29 GLN  HN          6.00    (#    465:15   Unique)
 &rst
  ixpk= 465, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 867, 868, 869,
 &end
#
#   12 GLU  HB2          12 GLU  HN          5.00    (#    471:15   Unique)
 &rst
  ixpk= 471, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 189, 190,
 &end
#
#    0 AMB  15-2:472     12 GLU  HN          3.30    (#    472:15   Single Ambig)
 &rst
  ixpk= 472, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 170,1069,1124,1125,
 &end
#
#   75 ARG  HG2          12 GLU  HN          5.00    (#    473:15   Unique)
 &rst
  ixpk= 473, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#   11 LEU  HA           12 GLU  HN          2.70    (#    477:15   Unique)
 &rst
  ixpk= 477, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   12 GLU  HA           12 GLU  HN          5.00    (#    478:15   Unique)
 &rst
  ixpk= 478, iat= 187, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:479     12 GLU  HN          5.00    (#    479:15   Single Ambig)
 &rst
  ixpk= 479, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1107,1091,
 &end
#
#   12 GLU  HG1          12 GLU  HN          5.00    (#    480:15   Unique)
 &rst
  ixpk= 480, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 192, 193,
 &end
#
#    0 AMB  15-2:481     12 GLU  HN          5.00    (#    481:15   Single Ambig)
 &rst
  ixpk= 481, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 189, 190,1109,1110,
 &end
#
#   11 LEU  HB3          12 GLU  HN          5.00    (#    482:15   Unique)
 &rst
  ixpk= 482, iat= 171, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGY          12 GLU  HN          5.00    (#    483:15   Unique)
 &rst
  ixpk= 483, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   11 LEU  HD21         12 GLU  HN          5.00    (#    484:15   Unique)
 &rst
  ixpk= 484, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 180, 181,
 &end
#
#   32 PRO  HD1          33 THR  HN          3.30    (#    487:15   Unique)
 &rst
  ixpk= 487, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 445, 446,
 &end
#
#    0 AMB  15-2:488     33 THR  HN          5.00    (#    488:15   Single Ambig)
 &rst
  ixpk= 488, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 884, 885, 886, 888, 889, 890,
 &end
#
#    0 AMB  15-2:489     29 GLN  HN          6.00    (#    489:15   Single Ambig)
 &rst
  ixpk= 489, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 863, 374,
 &end
#
#   29 GLN  HB1          29 GLN  HN          3.30    (#    490:15   Unique)
 &rst
  ixpk= 490, iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 407, 408,
 &end
#
#   29 GLN  HB2          29 GLN  HN          5.00    (#    491:15   Unique)
 &rst
  ixpk= 491, iat= 407, 403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HB2          29 GLN  HN          6.00    (#    492:15   Unique)
 &rst
  ixpk= 492, iat= 879, 403, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 GLY  HN           59 ARG  HN          5.00    (#    494:15   Unique)
 &rst
  ixpk= 494, iat= 854, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 GLY  HN           59 ARG  HN          5.00    (#    495:15   Unique)
 &rst
  ixpk= 495, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:496     59 ARG  HN          5.00    (#    496:15   Single Ambig)
 &rst
  ixpk= 496, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 861,
 &end
#
#   59 ARG  HA           59 ARG  HN          3.30    (#    497:15   Unique)
 &rst
  ixpk= 497, iat= 832, 830, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:498     59 ARG  HN          3.30    (#    498:15   Single Ambig)
 &rst
  ixpk= 498, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 800, 840, 841,
 &end
#
#    0 AMB  15-2:499     59 ARG  HN          5.00    (#    499:15   Single Ambig)
 &rst
  ixpk= 499, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   59 ARG  QB           59 ARG  HN          3.30    (#    500:15   Unique)
 &rst
  ixpk= 500, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HN          3.30    (#    501:15   Unique)
 &rst
  ixpk= 501, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          59 ARG  HN          5.00    (#    502:15   Unique)
 &rst
  ixpk= 502, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:511     33 THR  HN          3.30    (#    511:15   Single Ambig)
 &rst
  ixpk= 511, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 472, 482,
 &end
#
#    0 AMB  15-2:512     33 THR  HN          5.00    (#    512:15   Single Ambig)
 &rst
  ixpk= 512, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           33 THR  HN          3.30    (#    513:15   Unique)
 &rst
  ixpk= 513, iat= 462, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           33 THR  HN          3.30    (#    514:15   Unique)
 &rst
  ixpk= 514, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HG21         33 THR  HN          5.00    (#    515:15   Unique)
 &rst
  ixpk= 515, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  15-2:516     41 GLN  HN          5.00    (#    516:15   Single Ambig)
 &rst
  ixpk= 516, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 574, 541,
 &end
#
#   40 VAL  HA           41 GLN  HN          3.30    (#    519:15   Unique)
 &rst
  ixpk= 519, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   40 VAL  HB           41 GLN  HN          3.30    (#    520:15   Unique)
 &rst
  ixpk= 520, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   41 GLN  QB           41 GLN  HN          3.30    (#    521:15   Unique)
 &rst
  ixpk= 521, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 561, 562,
 &end
#
#   40 VAL  MG1          41 GLN  HN          5.00    (#    522:15   Unique)
 &rst
  ixpk= 522, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          41 GLN  HN          5.00    (#    523:15   Unique)
 &rst
  ixpk= 523, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   39 GLN  HA           39 GLN  HN          5.00    (#    530:15   Unique)
 &rst
  ixpk= 530, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HA           39 GLN  HN          6.00    (#    531:15   Unique)
 &rst
  ixpk= 531, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          39 GLN  HN          5.00    (#    532:15   Unique)
 &rst
  ixpk= 532, iat= 476, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:533     39 GLN  HN          5.00    (#    533:15   Single Ambig)
 &rst
  ixpk= 533, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 759,
 &end
#
#   39 GLN  HB2          39 GLN  HN          5.00    (#    534:15   Unique)
 &rst
  ixpk= 534, iat= 528, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HN           39 GLN  HN          5.00    (#    535:15   Unique)
 &rst
  ixpk= 535, iat= 517, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HN           39 GLN  HN          6.00    (#    536:15   Unique)
 &rst
  ixpk= 536, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:537     39 GLN  HN          5.00    (#    537:15   Single Ambig)
 &rst
  ixpk= 537, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 510, 511, 519, 520,
 &end
#
#   34 CYS  HB3          39 GLN  HN          3.30    (#    538:15   Unique)
 &rst
  ixpk= 538, iat= 477, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HN           35 HIS  HN          5.00    (#    539:15   Unique)
 &rst
  ixpk= 539, iat= 458, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HN          5.00    (#    540:15   Unique)
 &rst
  ixpk= 540, iat= 499, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           35 HIS  HN          5.00    (#    541:15   Unique)
 &rst
  ixpk= 541, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:542     35 HIS  HN          2.70    (#    542:15   Single Ambig)
 &rst
  ixpk= 542, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 484, 454,
 &end
#
#    0 AMB  15-2:543     35 HIS  HN          5.00    (#    543:15   Single Ambig)
 &rst
  ixpk= 543, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#   31 CYS  HB3          35 HIS  HN          6.00    (#    544:15   Unique)
 &rst
  ixpk= 544, iat= 439, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HG21         35 HIS  HN          6.00    (#    545:15   Unique)
 &rst
  ixpk= 545, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 &end
#
#   30 THR  HG21         35 HIS  HN          5.00    (#    546:15   Unique)
 &rst
  ixpk= 546, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-2:554     62 LEU  HN          5.00    (#    554:15   Single Ambig)
 &rst
  ixpk= 554, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   31 CYS  HN           62 LEU  HN          5.00    (#    555:15   Unique)
 &rst
  ixpk= 555, iat= 434, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           62 LEU  HN          3.30    (#    556:15   Unique)
 &rst
  ixpk= 556, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   62 LEU  HA           62 LEU  HN          5.00    (#    557:15   Unique)
 &rst
  ixpk= 557, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:558     62 LEU  HN          3.30    (#    558:15   Single Ambig)
 &rst
  ixpk= 558, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 865, 422, 445, 446,
 &end
#
#   29 GLN  HB1          62 LEU  HN          5.00    (#    559:15   Unique)
 &rst
  ixpk= 559, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#    0 AMB  15-2:560     62 LEU  HN          6.00    (#    560:15   Single Ambig)
 &rst
  ixpk= 560, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 396, 397, 917, 918, 917, 918,
 &end
#
#   62 LEU  HB2          62 LEU  HN          5.00    (#    561:15   Unique)
 &rst
  ixpk= 561, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HG21         62 LEU  HN          5.00    (#    563:15   Unique)
 &rst
  ixpk= 563, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  15-2:564     62 LEU  HN          5.00    (#    564:15   Single Ambig)
 &rst
  ixpk= 564, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 884, 885, 886, 888, 889, 890,
 &end
#
#   33 THR  HA           35 HIS  HN          6.00    (#    566:15   Unique)
 &rst
  ixpk= 566, iat= 460, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HN           18 HIS  HN          5.00    (#    567:15   Unique)
 &rst
  ixpk= 567, iat= 237, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           18 HIS  HN          5.00    (#    568:15   Unique)
 &rst
  ixpk= 568, iat= 280, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           18 HIS  HN          5.00    (#    570:15   Unique)
 &rst
  ixpk= 570, iat= 255, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           18 HIS  HN          3.30    (#    571:15   Unique)
 &rst
  ixpk= 571, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   15 ASP  HA           18 HIS  HN          5.00    (#    572:15   Unique)
 &rst
  ixpk= 572, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          18 HIS  HN          3.30    (#    573:15   Unique)
 &rst
  ixpk= 573, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 267, 268,
 &end
#
#    0 AMB  15-2:574     18 HIS  HN          6.00    (#    574:15   Single Ambig)
 &rst
  ixpk= 574, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 257, 230,
 &end
#
#    0 AMB  15-2:575     18 HIS  HN          5.00    (#    575:15   Single Ambig)
 &rst
  ixpk= 575, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#    0 AMB  15-2:576     18 HIS  HN          6.00    (#    576:15   Single Ambig)
 &rst
  ixpk= 576, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 241, 344, 345,
 &end
#
#    0 AMB  15-2:577     18 HIS  HN          5.00    (#    577:15   Single Ambig)
 &rst
  ixpk= 577, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   69 LYS  HN           71 HIS  HN          6.00    (#    578:15   Unique)
 &rst
  ixpk= 578, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 CYS  HA           71 HIS  HN          5.00    (#    581:15   Unique)
 &rst
  ixpk= 581, iat=1009,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 HIS  HA           71 HIS  HN          2.70    (#    582:15   Unique)
 &rst
  ixpk= 582, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  15-2:583     71 HIS  HN          3.30    (#    583:15   Single Ambig)
 &rst
  ixpk= 583, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1021,1022,1045,1046,
 &end
#
#    0 AMB  15-2:584     71 HIS  HN          5.00    (#    584:15   Single Ambig)
 &rst
  ixpk= 584, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 954, 955, 990,
 &end
#
#   52 THR  HA           52 THR  HN          5.00    (#    590:15   Unique)
 &rst
  ixpk= 590, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HB           52 THR  HN          3.30    (#    591:15   Unique)
 &rst
  ixpk= 591, iat= 745, 741, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   51 GLN  HG1          52 THR  HN          5.00    (#    592:15   Unique)
 &rst
  ixpk= 592, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:593     49 VAL  HN          5.00    (#    593:15   Single Ambig)
 &rst
  ixpk= 593, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 597, 598, 578, 579,
 &end
#
#   52 THR  HG21         52 THR  HN          5.00    (#    594:15   Unique)
 &rst
  ixpk= 594, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  15-2:597     49 VAL  HN          5.00    (#    597:15   Single Ambig)
 &rst
  ixpk= 597, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 621, 578, 579, 714, 715, 711, 712,
 &end
#
#   42 MET  HN           49 VAL  HN          5.00    (#    598:15   Unique)
 &rst
  ixpk= 598, iat= 574, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 VAL  HA           49 VAL  HN          5.00    (#    599:15   Unique)
 &rst
  ixpk= 599, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 ALA  HB1          49 VAL  HN          5.00    (#    600:15   Unique)
 &rst
  ixpk= 600, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#   49 VAL  MG2          49 VAL  HN          5.00    (#    601:15   Unique)
 &rst
  ixpk= 601, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 701, 702, 703,
 &end
#
#   65 ASP  HA           65 ASP  HN          5.00    (#    603:15   Unique)
 &rst
  ixpk= 603, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB2          65 ASP  HN          5.00    (#    605:15   Unique)
 &rst
  ixpk= 605, iat= 939, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 ASP  HB3          65 ASP  HN          5.00    (#    606:15   Unique)
 &rst
  ixpk= 606, iat= 940, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:607     65 ASP  HN          6.00    (#    607:15   Single Ambig)
 &rst
  ixpk= 607, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 309, 310, 311, 364, 365, 366,
 &end
#
#   63 ILE  HG21         65 ASP  HN          5.00    (#    608:15   Unique)
 &rst
  ixpk= 608, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   74 GLY  HN           73 HIS  HN          5.00    (#    609:15   Unique)
 &rst
  ixpk= 609, iat=1058,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HN          5.00    (#    613:15   Unique)
 &rst
  ixpk= 613, iat=1054,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           73 HIS  HN          5.00    (#    614:15   Unique)
 &rst
  ixpk= 614, iat=1065,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 GLY  HA1          73 HIS  HN          5.00    (#    615:15   Unique)
 &rst
  ixpk= 615, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   73 HIS  HA           73 HIS  HN          5.00    (#    616:15   Unique)
 &rst
  ixpk= 616, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:617     73 HIS  HN          2.70    (#    617:15   Single Ambig)
 &rst
  ixpk= 617, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 300, 301,1045,1046,
 &end
#
#   70 CYS  HB3          73 HIS  HN          5.00    (#    618:15   Unique)
 &rst
  ixpk= 618, iat=1012,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:631     47 PHE  HN          5.00    (#    631:15   Single Ambig)
 &rst
  ixpk= 631, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 677, 671, 675,
 &end
#
#   46 PHE  HA           47 PHE  HN          5.00    (#    633:15   Unique)
 &rst
  ixpk= 633, iat= 643, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB3          47 PHE  HN          5.00    (#    634:15   Unique)
 &rst
  ixpk= 634, iat= 666, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 PHE  HB2          47 PHE  HN          5.00    (#    635:15   Unique)
 &rst
  ixpk= 635, iat= 665, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HB-          47 PHE  HN          6.00    (#    636:15   Unique)
 &rst
  ixpk= 636, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   55 HIS  HN           57 GLN  HN          5.00    (#    637:15   Unique)
 &rst
  ixpk= 637, iat= 779, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PRO  HA           57 GLN  HN          5.00    (#    641:15   Unique)
 &rst
  ixpk= 641, iat= 775, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HA           57 GLN  HN          3.30    (#    642:15   Unique)
 &rst
  ixpk= 642, iat= 808, 806, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:643     57 GLN  HN          5.00    (#    643:15   Single Ambig)
 &rst
  ixpk= 643, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#    0 AMB  15-2:644     57 GLN  HN          6.00    (#    644:15   Single Ambig)
 &rst
  ixpk= 644, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 834, 835,
 &end
#
#   52 THR  HG21         57 GLN  HN          5.00    (#    645:15   Unique)
 &rst
  ixpk= 645, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   56 CYS  HA           57 GLN  HN          5.00    (#    646:15   Unique)
 &rst
  ixpk= 646, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HA           27 GLN  HN          6.00    (#    651:15   Unique)
 &rst
  ixpk= 651, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 THR  HB           27 GLN  HN          5.00    (#    652:15   Unique)
 &rst
  ixpk= 652, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLN  HG1          27 GLN  HN          5.00    (#    653:15   Unique)
 &rst
  ixpk= 653, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 379, 380,
 &end
#
#   21 GLY  HN           20 SER  HN          5.00    (#    665:15   Unique)
 &rst
  ixpk= 665, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HG           20 SER  HN          6.00    (#    669:15   Unique)
 &rst
  ixpk= 669, iat= 294, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           20 SER  HN          5.00    (#    670:15   Unique)
 &rst
  ixpk= 670, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HA           20 SER  HN          5.00    (#    671:15   Unique)
 &rst
  ixpk= 671, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:672     20 SER  HN          5.00    (#    672:15   Single Ambig)
 &rst
  ixpk= 672, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 291, 300, 301,
 &end
#
#   17 CYS  HB3          20 SER  HN          5.00    (#    673:15   Unique)
 &rst
  ixpk= 673, iat= 258, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HB-          20 SER  HN          5.00    (#    674:15   Unique)
 &rst
  ixpk= 674, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 267, 268,
 &end
#
#   17 CYS  HB2          20 SER  HN          6.00    (#    675:15   Unique)
 &rst
  ixpk= 675, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:676     20 SER  HN          6.00    (#    676:15   Single Ambig)
 &rst
  ixpk= 676, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 207, 208, 965,
 &end
#
#   33 THR  HN           34 CYS  HN          5.00    (#    677:15   Unique)
 &rst
  ixpk= 677, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          5.00    (#    679:15   Unique)
 &rst
  ixpk= 679, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:680     34 CYS  HN          5.00    (#    680:15   Single Ambig)
 &rst
  ixpk= 680, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 454, 484,
 &end
#
#   33 THR  HB           34 CYS  HN          3.30    (#    681:15   Unique)
 &rst
  ixpk= 681, iat= 462, 472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 THR  HA           34 CYS  HN          5.00    (#    682:15   Unique)
 &rst
  ixpk= 682, iat= 460, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:683     34 CYS  HN          6.00    (#    683:15   Single Ambig)
 &rst
  ixpk= 683, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 445, 446, 766, 767, 424,
 &end
#
#   34 CYS  HB3          34 CYS  HN          5.00    (#    684:15   Unique)
 &rst
  ixpk= 684, iat= 477, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:685     34 CYS  HN          5.00    (#    685:15   Single Ambig)
 &rst
  ixpk= 685, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 760,
 &end
#
#   34 CYS  HB2          34 CYS  HN          5.00    (#    686:15   Unique)
 &rst
  ixpk= 686, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          34 CYS  HN          5.00    (#    687:15   Unique)
 &rst
  ixpk= 687, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         34 CYS  HN          5.00    (#    688:15   Unique)
 &rst
  ixpk= 688, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   40 VAL  MG1          34 CYS  HN          6.00    (#    689:15   Unique)
 &rst
  ixpk= 689, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 547, 548, 549,
 &end
#
#   38 GLY  HN           37 SER  HN          5.00    (#    702:15   Unique)
 &rst
  ixpk= 702, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           37 SER  HN          5.00    (#    703:15   Unique)
 &rst
  ixpk= 703, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HA1          37 SER  HN          5.00    (#    708:15   Unique)
 &rst
  ixpk= 708, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  15-2:709     37 SER  HN          5.00    (#    709:15   Single Ambig)
 &rst
  ixpk= 709, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   37 SER  HB1          37 SER  HN          3.30    (#    710:15   Unique)
 &rst
  ixpk= 710, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 510, 511,
 &end
#
#   35 HIS  HB2          37 SER  HN          5.00    (#    711:15   Unique)
 &rst
  ixpk= 711, iat= 486, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         37 SER  HN          6.00    (#    712:15   Unique)
 &rst
  ixpk= 712, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   74 GLY  HN           75 ARG  HN          5.00    (#    713:15   Unique)
 &rst
  ixpk= 713, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HN           75 ARG  HN          5.00    (#    714:15   Unique)
 &rst
  ixpk= 714, iat=1089,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HN           75 ARG  HN          6.00    (#    715:15   Unique)
 &rst
  ixpk= 715, iat=1041,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HA           75 ARG  HN          5.00    (#    717:15   Unique)
 &rst
  ixpk= 717, iat=1067,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:718     75 ARG  HN          6.00    (#    718:15   Single Ambig)
 &rst
  ixpk= 718, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1009,1036,1037,
 &end
#
#    0 AMB  15-2:719     75 ARG  HN          5.00    (#    719:15   Single Ambig)
 &rst
  ixpk= 719, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1043, 282, 283,
 &end
#
#    0 AMB  15-2:720     75 ARG  HN          5.00    (#    720:15   Single Ambig)
 &rst
  ixpk= 720, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#    0 AMB  15-2:721     75 ARG  HN          5.00    (#    721:15   Single Ambig)
 &rst
  ixpk= 721, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1045,1046,
 &end
#
#   70 CYS  HB3          75 ARG  HN          5.00    (#    722:15   Unique)
 &rst
  ixpk= 722, iat=1012,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:723     75 ARG  HN          5.00    (#    723:15   Single Ambig)
 &rst
  ixpk= 723, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 220,1075,1076,
 &end
#
#   70 CYS  HB2          75 ARG  HN          5.00    (#    724:15   Unique)
 &rst
  ixpk= 724, iat=1011,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          75 ARG  HN          6.00    (#    725:15   Unique)
 &rst
  ixpk= 725, iat= 219,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HB2          75 ARG  HN          5.00    (#    726:15   Unique)
 &rst
  ixpk= 726, iat=1069,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HG2          75 ARG  HN          5.00    (#    727:15   Unique)
 &rst
  ixpk= 727, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1072,1073,
 &end
#
#    0 AMB  15-2:728     75 ARG  HN          5.00    (#    728:15   Single Ambig)
 &rst
  ixpk= 728, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   76 VAL  MGX          75 ARG  HN          5.00    (#    729:15   Unique)
 &rst
  ixpk= 729, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   77 GLU  HN           76 VAL  HN          6.00    (#    735:15   Unique)
 &rst
  ixpk= 735, iat=1105,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 CYS  HN           76 VAL  HN          6.00    (#    736:15   Unique)
 &rst
  ixpk= 736, iat= 215,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ARG  HN           76 VAL  HN          6.00    (#    737:15   Unique)
 &rst
  ixpk= 737, iat=1065,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 PRO  HA           10 THR  HN          3.30    (#    741:15   Unique)
 &rst
  ixpk= 741, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 THR  HA           10 THR  HN          5.00    (#    742:15   Unique)
 &rst
  ixpk= 742, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 THR  HB           10 THR  HN          5.00    (#    743:15   Unique)
 &rst
  ixpk= 743, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:744     10 THR  HN          5.00    (#    744:15   Single Ambig)
 &rst
  ixpk= 744, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 145, 146,1112,1113,
 &end
#
#    0 AMB  15-2:745     10 THR  HN          5.00    (#    745:15   Single Ambig)
 &rst
  ixpk= 745, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1124,1125, 145, 146,
 &end
#
#   10 THR  HG21         10 THR  HN          5.00    (#    746:15   Unique)
 &rst
  ixpk= 746, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 158, 159, 160,
 &end
#
#   16 VAL  HN           17 CYS  HN          5.00    (#    747:15   Unique)
 &rst
  ixpk= 747, iat= 237, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HN           17 CYS  HN          6.00    (#    748:15   Unique)
 &rst
  ixpk= 748, iat= 280, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 CYS  HA           17 CYS  HN          5.00    (#    750:15   Unique)
 &rst
  ixpk= 750, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 HIS  HA           17 CYS  HN          5.00    (#    751:15   Unique)
 &rst
  ixpk= 751, iat= 265, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA           17 CYS  HN          5.00    (#    752:15   Unique)
 &rst
  ixpk= 752, iat= 239, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB3          17 CYS  HN          5.00    (#    753:15   Unique)
 &rst
  ixpk= 753, iat= 258, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HB2          17 CYS  HN          5.00    (#    754:15   Unique)
 &rst
  ixpk= 754, iat= 257, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:755     17 CYS  HN          6.00    (#    755:15   Single Ambig)
 &rst
  ixpk= 755, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 219, 341, 342,
 &end
#
#   16 VAL  HB           17 CYS  HN          3.30    (#    756:15   Unique)
 &rst
  ixpk= 756, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:757     17 CYS  HN          5.00    (#    757:15   Single Ambig)
 &rst
  ixpk= 757, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   75 ARG  HA           76 VAL  HN          5.00    (#    769:15   Unique)
 &rst
  ixpk= 769, iat=1067,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 LEU  HA           76 VAL  HN          6.00    (#    770:15   Unique)
 &rst
  ixpk= 770, iat= 168,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:771     76 VAL  HN          5.00    (#    771:15   Single Ambig)
 &rst
  ixpk= 771, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1091,1107,
 &end
#
#   13 GLU  HA           76 VAL  HN          5.00    (#    772:15   Unique)
 &rst
  ixpk= 772, iat= 202,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:773     76 VAL  HN          6.00    (#    773:15   Single Ambig)
 &rst
  ixpk= 773, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1075,1076, 220,
 &end
#
#    0 AMB  15-2:774     76 VAL  HN          5.00    (#    774:15   Single Ambig)
 &rst
  ixpk= 774, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1093, 192, 193, 207, 208,
 &end
#
#   13 GLU  HB1          76 VAL  HN          6.00    (#    775:15   Unique)
 &rst
  ixpk= 775, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 204, 205,
 &end
#
#   75 ARG  HB2          76 VAL  HN          5.00    (#    776:15   Unique)
 &rst
  ixpk= 776, iat=1069,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:777     76 VAL  HN          5.00    (#    777:15   Single Ambig)
 &rst
  ixpk= 777, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1070,1072,1073,
 &end
#
#   11 LEU  HB3          76 VAL  HN          6.00    (#    778:15   Unique)
 &rst
  ixpk= 778, iat= 171,1089, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  MGY          76 VAL  HN          3.30    (#    779:15   Unique)
 &rst
  ixpk= 779, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   34 CYS  HB2          38 GLY  HN          5.00    (#    785:15   Unique)
 &rst
  ixpk= 785, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HN           38 GLY  HN          5.00    (#    802:15   Unique)
 &rst
  ixpk= 802, iat= 524, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 SER  HN           38 GLY  HN          5.00    (#    803:15   Unique)
 &rst
  ixpk= 803, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:804     38 GLY  HN          6.00    (#    804:15   Single Ambig)
 &rst
  ixpk= 804, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 482, 472, 830,
 &end
#
#    0 AMB  15-2:806     38 GLY  HN          5.00    (#    806:15   Single Ambig)
 &rst
  ixpk= 806, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 484,
 &end
#
#   60 GLY  HA1          38 GLY  HN          3.30    (#    807:15   Unique)
 &rst
  ixpk= 807, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 856, 857,
 &end
#
#   38 GLY  HA2          38 GLY  HN          3.30    (#    808:15   Unique)
 &rst
  ixpk= 808, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 519, 520,
 &end
#
#    0 AMB  15-2:809     38 GLY  HN          6.00    (#    809:15   Single Ambig)
 &rst
  ixpk= 809, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 &end
#
#   55 HIS  HN           56 CYS  HN          3.30    (#    811:15   Unique)
 &rst
  ixpk= 811, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   56 CYS  HA           56 CYS  HN          5.00    (#    815:15   Unique)
 &rst
  ixpk= 815, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           56 CYS  HN          5.00    (#    816:15   Unique)
 &rst
  ixpk= 816, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:817     56 CYS  HN          5.00    (#    817:15   Single Ambig)
 &rst
  ixpk= 817, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 808, 519, 520,
 &end
#
#    0 AMB  15-2:818     56 CYS  HN          5.00    (#    818:15   Single Ambig)
 &rst
  ixpk= 818, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 800,
 &end
#
#   53 CYS  HB1          56 CYS  HN          6.00    (#    819:15   Unique)
 &rst
  ixpk= 819, iat= 760, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 HIS  HB2          56 CYS  HN          5.00    (#    820:15   Unique)
 &rst
  ixpk= 820, iat= 783, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HB1          56 CYS  HN          5.00    (#    821:15   Unique)
 &rst
  ixpk= 821, iat= 801, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:822     56 CYS  HN          5.00    (#    822:15   Single Ambig)
 &rst
  ixpk= 822, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   53 CYS  HB2          56 CYS  HN          5.00    (#    823:15   Unique)
 &rst
  ixpk= 823, iat= 759, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HN          5.00    (#    824:15   Unique)
 &rst
  ixpk= 824, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   69 LYS  HA           70 CYS  HN          5.00    (#    835:15   Unique)
 &rst
  ixpk= 835, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB2          70 CYS  HN          5.00    (#    836:15   Unique)
 &rst
  ixpk= 836, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HB3          70 CYS  HN          5.00    (#    837:15   Unique)
 &rst
  ixpk= 837, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HN          5.00    (#    839:15   Unique)
 &rst
  ixpk= 839, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HN           70 CYS  HN          5.00    (#    840:15   Unique)
 &rst
  ixpk= 840, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:841     70 CYS  HN          5.00    (#    841:15   Single Ambig)
 &rst
  ixpk= 841, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019, 957,
 &end
#
#   67 CYS  HB3          70 CYS  HN          5.00    (#    842:15   Unique)
 &rst
  ixpk= 842, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HN           21 GLY  HN          5.00    (#    860:15   Unique)
 &rst
  ixpk= 860, iat= 305, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 SER  HN           21 GLY  HN          5.00    (#    861:15   Unique)
 &rst
  ixpk= 861, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           21 GLY  HN          5.00    (#    862:15   Unique)
 &rst
  ixpk= 862, iat= 255, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:863     21 GLY  HN          6.00    (#    863:15   Single Ambig)
 &rst
  ixpk= 863, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 282, 283, 307,
 &end
#
#   20 SER  HA           21 GLY  HN          5.00    (#    864:15   Unique)
 &rst
  ixpk= 864, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:866     21 GLY  HN          3.30    (#    866:15   Single Ambig)
 &rst
  ixpk= 866, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 300, 301,1060,1061, 291,
 &end
#
#   17 CYS  HB3          21 GLY  HN          5.00    (#    867:15   Unique)
 &rst
  ixpk= 867, iat= 258, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:868     21 GLY  HN          5.00    (#    868:15   Single Ambig)
 &rst
  ixpk= 868, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 300, 301,1045,1046,
 &end
#
#   17 CYS  HB2          21 GLY  HN          5.00    (#    869:15   Unique)
 &rst
  ixpk= 869, iat= 257, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 ALA  HB1          21 GLY  HN          6.00    (#    870:15   Unique)
 &rst
  ixpk= 870, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 &end
#
#   63 ILE  HD11         21 GLY  HN          6.00    (#    871:15   Unique)
 &rst
  ixpk= 871, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  15-2:872     40 VAL  HN          5.00    (#    872:15   Single Ambig)
 &rst
  ixpk= 872, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 528, 728,
 &end
#
#   70 CYS  HA           70 CYS  HN          5.00    (#    873:15   Unique)
 &rst
  ixpk= 873, iat=1009,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB3          70 CYS  HN          5.00    (#    874:15   Unique)
 &rst
  ixpk= 874, iat=1012,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HB2          70 CYS  HN          6.00    (#    875:15   Unique)
 &rst
  ixpk= 875, iat=1011,1007, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 GLN  HN           40 VAL  HN          6.00    (#    892:15   Unique)
 &rst
  ixpk= 892, iat= 557, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 CYS  HN           40 VAL  HN          5.00    (#    893:15   Unique)
 &rst
  ixpk= 893, iat= 755, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           40 VAL  HN          5.00    (#    894:15   Unique)
 &rst
  ixpk= 894, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  HA           40 VAL  HN          5.00    (#    895:15   Unique)
 &rst
  ixpk= 895, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:896     40 VAL  HN          5.00    (#    896:15   Single Ambig)
 &rst
  ixpk= 896, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 743, 766, 767,
 &end
#
#    0 AMB  15-2:897     40 VAL  HN          5.00    (#    897:15   Single Ambig)
 &rst
  ixpk= 897, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 564, 565,
 &end
#
#    0 AMB  15-2:898     40 VAL  HN          3.30    (#    898:15   Single Ambig)
 &rst
  ixpk= 898, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 531, 532, 759, 545,
 &end
#
#   39 GLN  HB3          40 VAL  HN          5.00    (#    899:15   Unique)
 &rst
  ixpk= 899, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 VAL  MG1          40 VAL  HN          5.00    (#    900:15   Unique)
 &rst
  ixpk= 900, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HN          5.00    (#    901:15   Unique)
 &rst
  ixpk= 901, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#    0 AMB  15-2:917     26 THR  HN          5.00    (#    917:15   Single Ambig)
 &rst
  ixpk= 917, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 353, 354, 347,
 &end
#
#   26 THR  HB           26 THR  HN          5.00    (#    918:15   Unique)
 &rst
  ixpk= 918, iat= 362, 358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          26 THR  HN          5.00    (#    919:15   Unique)
 &rst
  ixpk= 919, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 353, 354,
 &end
#
#   26 THR  HG21         26 THR  HN          5.00    (#    920:15   Unique)
 &rst
  ixpk= 920, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 365, 366,
 &end
#
#   56 CYS  HA           57 GLN  HE22        5.00    (#    928:15   Unique)
 &rst
  ixpk= 928, iat= 798, 819, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:929     57 GLN  HE22        6.00    (#    929:15   Single Ambig)
 &rst
  ixpk= 929, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 813, 814, 813, 814, 810,
 &end
#
#   68 ASN  HB1          68 ASN  HD21        6.00    (#    961:15   Unique)
 &rst
  ixpk= 961, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   27 GLN  HG1          27 GLN  HE21        6.00    (#    963:15   Unique)
 &rst
  ixpk= 963, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 379, 380,
 &end
#
#   68 ASN  HB1          68 ASN  HD22        6.00    (#    968:15   Unique)
 &rst
  ixpk= 968, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 975, 976,
 &end
#
#   41 GLN  HG1          41 GLN  HE21        5.00    (#   1007:15   Unique)
 &rst
  ixpk= 1007, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 564, 565,
 &end
#
#   41 GLN  QB           41 GLN  HE21        5.00    (#   1008:15   Unique)
 &rst
  ixpk= 1008, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 562,
 &end
#
#   48 ALA  HB1          41 GLN  HE21        6.00    (#   1009:15   Unique)
 &rst
  ixpk= 1009, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 &end
#
#    0 AMB  15-2:1148    50 GLN  HE22        5.00    (#   1148:15   Single Ambig)
 &rst
  ixpk= 1148, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#   73 HIS  HN           74 GLY  HN          5.00    (#   1228:15   Unique)
 &rst
  ixpk= 1228, iat=1041,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HN           74 GLY  HN          5.00    (#   1229:15   Unique)
 &rst
  ixpk= 1229, iat=1065,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HA           74 GLY  HN          5.00    (#   1230:15   Unique)
 &rst
  ixpk= 1230, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1231    74 GLY  HN          5.00    (#   1231:15   Single Ambig)
 &rst
  ixpk= 1231, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1060,1061, 300, 301,
 &end
#
#   70 CYS  HB2          74 GLY  HN          6.00    (#   1232:15   Unique)
 &rst
  ixpk= 1232, iat=1011,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1233    74 GLY  HN          6.00    (#   1233:15   Single Ambig)
 &rst
  ixpk= 1233, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1095,1096,1097,1099,1100,1101, 907, 908, 909,
 &end
#
#    0 AMB  15-2:1240    51 GLN  HE21        5.00    (#   1240:15   Single Ambig)
 &rst
  ixpk= 1240, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773, 731, 732,
 &end
#
#    0 AMB  15-2:1242     0 AMB  15-1:1242   6.00    (#   1242:15   Double Ambig)
 &rst
  ixpk= 1242, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 715,
 &end
#
#    0 AMB  15-2:1243    50 GLN  HE22        6.00    (#   1243:15   Single Ambig)
 &rst
  ixpk= 1243, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 697, 698, 699, 701, 702, 703,
 &end
#
#    0 AMB  15-2:1290    74 GLY  HN          5.00    (#   1290:15   Single Ambig)
 &rst
  ixpk= 1290, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1036,1037,1009,
 &end
#
#    0 AMB  15-2:1291    74 GLY  HN          5.00    (#   1291:15   Single Ambig)
 &rst
  ixpk= 1291, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1021,1022,1021,1022,
 &end
#
#   70 CYS  HB3          74 GLY  HN          5.00    (#   1292:15   Unique)
 &rst
  ixpk= 1292, iat=1012,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 GLN  HG1          44 GLN  HE21        5.00    (#   1294:15   Unique)
 &rst
  ixpk= 1294, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#   40 VAL  MG1          51 GLN  HE21        5.00    (#   1296:15   Unique)
 &rst
  ixpk= 1296, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   44 GLN  HG1          44 GLN  HE22        5.00    (#   1300:15   Unique)
 &rst
  ixpk= 1300, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 624, 625,
 &end
#
#    0 AMB  15-2:1330    60 GLY  HN          5.00    (#   1330:15   Single Ambig)
 &rst
  ixpk= 1330, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 823, 434, 524,
 &end
#
#   59 ARG  HN           60 GLY  HN          5.00    (#   1331:15   Unique)
 &rst
  ixpk= 1331, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HN           60 GLY  HN          5.00    (#   1332:15   Unique)
 &rst
  ixpk= 1332, iat= 861, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           60 GLY  HN          6.00    (#   1333:15   Unique)
 &rst
  ixpk= 1333, iat= 798, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLY  HA1          60 GLY  HN          6.00    (#   1334:15   Unique)
 &rst
  ixpk= 1334, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 825, 826,
 &end
#
#   60 GLY  HA1          60 GLY  HN          5.00    (#   1335:15   Unique)
 &rst
  ixpk= 1335, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   60 GLY  HA2          60 GLY  HN          5.00    (#   1336:15   Unique)
 &rst
  ixpk= 1336, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   56 CYS  HB1          60 GLY  HN          5.00    (#   1337:15   Unique)
 &rst
  ixpk= 1337, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1338    60 GLY  HN          5.00    (#   1338:15   Single Ambig)
 &rst
  ixpk= 1338, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 759,
 &end
#
#   59 ARG  HG1          60 GLY  HN          6.00    (#   1339:15   Unique)
 &rst
  ixpk= 1339, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 837, 838,
 &end
#
#   59 ARG  HG2          60 GLY  HN          6.00    (#   1340:15   Unique)
 &rst
  ixpk= 1340, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 837, 838,
 &end
#
#   60 GLY  HN           61 THR  HN          5.00    (#   1357:15   Unique)
 &rst
  ixpk= 1357, iat= 854, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           61 THR  HN          6.00    (#   1358:15   Unique)
 &rst
  ixpk= 1358, iat= 434, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ARG  HN           61 THR  HN          5.00    (#   1359:15   Unique)
 &rst
  ixpk= 1359, iat= 830, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           61 THR  HN          5.00    (#   1361:15   Unique)
 &rst
  ixpk= 1361, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HA           61 THR  HN          6.00    (#   1362:15   Unique)
 &rst
  ixpk= 1362, iat= 798, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1363    61 THR  HN          5.00    (#   1363:15   Single Ambig)
 &rst
  ixpk= 1363, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 832,
 &end
#
#    0 AMB  15-2:1364    61 THR  HN          5.00    (#   1364:15   Single Ambig)
 &rst
  ixpk= 1364, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 865, 422,
 &end
#
#    0 AMB  15-2:1365    61 THR  HN          3.30    (#   1365:15   Single Ambig)
 &rst
  ixpk= 1365, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 856, 857, 800,
 &end
#
#   56 CYS  HB1          61 THR  HN          5.00    (#   1366:15   Unique)
 &rst
  ixpk= 1366, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  QB           61 THR  HN          3.30    (#   1367:15   Unique)
 &rst
  ixpk= 1367, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          61 THR  HN          5.00    (#   1368:15   Unique)
 &rst
  ixpk= 1368, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:1369    61 THR  HN          5.00    (#   1369:15   Single Ambig)
 &rst
  ixpk= 1369, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 837, 838, 396, 397,
 &end
#
#   61 THR  HG21         61 THR  HN          5.00    (#   1370:15   Unique)
 &rst
  ixpk= 1370, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   38 GLY  HN           36 GLY  HN          6.00    (#   1401:15   Unique)
 &rst
  ixpk= 1401, iat= 517, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 SER  HN           36 GLY  HN          5.00    (#   1404:15   Unique)
 &rst
  ixpk= 1404, iat= 506, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1405    36 GLY  HN          5.00    (#   1405:15   Single Ambig)
 &rst
  ixpk= 1405, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   36 GLY  HA1          36 GLY  HN          5.00    (#   1406:15   Unique)
 &rst
  ixpk= 1406, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#   36 GLY  HA2          36 GLY  HN          3.30    (#   1407:15   Unique)
 &rst
  ixpk= 1407, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 501, 502,
 &end
#
#   35 HIS  HA           36 GLY  HN          5.00    (#   1408:15   Unique)
 &rst
  ixpk= 1408, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLY  HA1          36 GLY  HN          5.00    (#   1409:15   Unique)
 &rst
  ixpk= 1409, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#    0 AMB  15-2:1410    36 GLY  HN          6.00    (#   1410:15   Single Ambig)
 &rst
  ixpk= 1410, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 422, 445, 446,
 &end
#
#    0 AMB  15-2:1411    36 GLY  HN          5.00    (#   1411:15   Single Ambig)
 &rst
  ixpk= 1411, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 486, 477,
 &end
#
#    0 AMB  15-2:1412    36 GLY  HN          5.00    (#   1412:15   Single Ambig)
 &rst
  ixpk= 1412, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 856, 857, 487,
 &end
#
#   31 CYS  HB3          36 GLY  HN          5.00    (#   1413:15   Unique)
 &rst
  ixpk= 1413, iat= 439, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          36 GLY  HN          5.00    (#   1414:15   Unique)
 &rst
  ixpk= 1414, iat= 438, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         36 GLY  HN          5.00    (#   1415:15   Unique)
 &rst
  ixpk= 1415, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   59 ARG  HN           58 GLY  HN          3.30    (#   1434:15   Unique)
 &rst
  ixpk= 1434, iat= 830, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   58 GLY  HA1          58 GLY  HN          3.30    (#   1435:15   Unique)
 &rst
  ixpk= 1435, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 825, 826,
 &end
#
#   57 GLN  HA           58 GLY  HN          3.30    (#   1436:15   Unique)
 &rst
  ixpk= 1436, iat= 808, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HA2          58 GLY  HN          6.00    (#   1437:15   Unique)
 &rst
  ixpk= 1437, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 519, 520,
 &end
#
#    0 AMB  15-2:1438    58 GLY  HN          6.00    (#   1438:15   Single Ambig)
 &rst
  ixpk= 1438, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 &end
#
#   53 CYS  HB1          58 GLY  HN          5.00    (#   1439:15   Unique)
 &rst
  ixpk= 1439, iat= 760, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1440    58 GLY  HN          5.00    (#   1440:15   Single Ambig)
 &rst
  ixpk= 1440, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 810, 813, 814, 813, 814,
 &end
#
#   53 CYS  HB2          58 GLY  HN          5.00    (#   1441:15   Unique)
 &rst
  ixpk= 1441, iat= 759, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HG21         58 GLY  HN          5.00    (#   1442:15   Unique)
 &rst
  ixpk= 1442, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#   72 GLY  HA1          72 GLY  HN          3.30    (#   1452:15   Unique)
 &rst
  ixpk= 1452, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1036,1037,
 &end
#
#    0 AMB  15-2:1453    72 GLY  HN          3.30    (#   1453:15   Single Ambig)
 &rst
  ixpk= 1453, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1019, 957,
 &end
#
#   72 GLY  HA2          72 GLY  HN          5.00    (#   1454:15   Unique)
 &rst
  ixpk= 1454, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#    0 AMB  15-2:1456    72 GLY  HN          5.00    (#   1456:15   Single Ambig)
 &rst
  ixpk= 1456, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 300, 301,1021,1022,1045,1046,
 &end
#
#   67 CYS  HB3          72 GLY  HN          5.00    (#   1457:15   Unique)
 &rst
  ixpk= 1457, iat= 966,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB2          72 GLY  HN          6.00    (#   1458:15   Unique)
 &rst
  ixpk= 1458, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  15-2:1459    72 GLY  HN          5.00    (#   1459:15   Single Ambig)
 &rst
  ixpk= 1459, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          72 GLY  HN          6.00    (#   1460:15   Unique)
 &rst
  ixpk= 1460, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 954, 955,
 &end
#
#   63 ILE  HD11         72 GLY  HN          6.00    (#   1461:15   Unique)
 &rst
  ixpk= 1461, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 &end
#
#   21 GLY  HN           19 GLY  HN          6.00    (#   1463:15   Unique)
 &rst
  ixpk= 1463, iat= 298, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HN           19 GLY  HN          5.00    (#   1466:15   Unique)
 &rst
  ixpk= 1466, iat= 263, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           19 GLY  HN          6.00    (#   1467:15   Unique)
 &rst
  ixpk= 1467, iat= 255, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 HIS  HA           19 GLY  HN          3.30    (#   1468:15   Unique)
 &rst
  ixpk= 1468, iat= 265, 280, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  15-2:1469    19 GLY  HN          6.00    (#   1469:15   Single Ambig)
 &rst
  ixpk= 1469, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 227, 289,
 &end
#
#    0 AMB  15-2:1470    19 GLY  HN          5.00    (#   1470:15   Single Ambig)
 &rst
  ixpk= 1470, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 217,1060,1061, 291, 300, 301,
 &end
#
#    0 AMB  15-2:1471    19 GLY  HN          5.00    (#   1471:15   Single Ambig)
 &rst
  ixpk= 1471, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 267, 268,1060,1061,
 &end
#
#   14 CYS  HB3          19 GLY  HN          5.00    (#   1472:15   Unique)
 &rst
  ixpk= 1472, iat= 220, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  15-2:1473    19 GLY  HN          5.00    (#   1473:15   Single Ambig)
 &rst
  ixpk= 1473, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 219, 207, 208,
 &end
#
#   55 HIS  HN           55 HIS  HB1         5.00    (#     36:25   Unique)
 &rst
  ixpk= 36, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   56 CYS  HN           55 HIS  HB1         5.00    (#     37:25   Unique)
 &rst
  ixpk= 37, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HA           55 HIS  HB1         5.00    (#     39:25   Unique)
 &rst
  ixpk= 39, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   33 THR  HG21         55 HIS  HB1         5.00    (#     42:25   Unique)
 &rst
  ixpk= 42, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 464, 465, 466,
 igr2= 783, 784,
 &end
#
#   33 THR  HB           55 HIS  HB1         5.00    (#     43:25   Unique)
 &rst
  ixpk= 43, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 783, 784,
 &end
#
#   55 HIS  HN           55 HIS  HB2         5.00    (#     44:25   Unique)
 &rst
  ixpk= 44, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HB2         5.00    (#     45:25   Unique)
 &rst
  ixpk= 45, iat= 796, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HA           55 HIS  HB2         5.00    (#     46:25   Unique)
 &rst
  ixpk= 46, iat= 781, 783, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HG21         55 HIS  HB2         5.00    (#     50:25   Unique)
 &rst
  ixpk= 50, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   29 GLN  HB1          29 GLN  HG1         5.00    (#     53:25   Unique)
 &rst
  ixpk= 53, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 407, 408,
 igr2= 410, 411,
 &end
#
#   29 GLN  HB2          29 GLN  HG1         5.00    (#     54:25   Unique)
 &rst
  ixpk= 54, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#   27 GLN  HN           27 GLN  HG1         6.00    (#     58:25   Unique)
 &rst
  ixpk= 58, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 379, 380,
 &end
#
#   27 GLN  HA           27 GLN  HG1         5.00    (#     59:25   Unique)
 &rst
  ixpk= 59, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#    0 AMB  25-2:60      27 GLN  HG1         5.00    (#     60:25   Single Ambig)
 &rst
  ixpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 390, 391, 353, 354,
 igr2= 379, 380,
 &end
#
#   27 GLN  HB2          27 GLN  HG1         3.30    (#     64:25   Unique)
 &rst
  ixpk= 64, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 379, 380,
 &end
#
#    0 AMB  25-2:65      27 GLN  HG1         6.00    (#     65:25   Single Ambig)
 &rst
  ixpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 309, 310, 311, 364, 365, 366,
 igr2= 379, 380,
 &end
#
#   51 GLN  HA           51 GLN  HG1         5.00    (#     67:25   Unique)
 &rst
  ixpk= 67, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 732,
 &end
#
#   50 GLN  HG2          51 GLN  HG1         5.00    (#     69:25   Unique)
 &rst
  ixpk= 69, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 714, 715,
 igr2= 731, 732,
 &end
#
#   39 GLN  HB3          39 GLN  HG1         5.00    (#     75:25   Unique)
 &rst
  ixpk= 75, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#   39 GLN  HB3          39 GLN  HG2         5.00    (#     80:25   Unique)
 &rst
  ixpk= 80, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 531, 532,
 &end
#
#    0 AMB  25-2:85      39 GLN  HB3         5.00    (#     85:25   Single Ambig)
 &rst
  ixpk= 85, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 564, 565,
 &end
#
#   39 GLN  HG2          39 GLN  HB3         5.00    (#     88:25   Unique)
 &rst
  ixpk= 88, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 531, 532,
 &end
#
#   26 THR  HA           27 GLN  HG1         5.00    (#    228:25   Unique)
 &rst
  ixpk= 228, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 379, 380,
 &end
#
#   49 VAL  MG1          50 GLN  HG1         5.00    (#    229:25   Unique)
 &rst
  ixpk= 229, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 697, 698, 699,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:230     50 GLN  HG1         5.00    (#    230:25   Single Ambig)
 &rst
  ixpk= 230, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 541,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG1         5.00    (#    231:25   Unique)
 &rst
  ixpk= 231, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:232     50 GLN  HG1         5.00    (#    232:25   Single Ambig)
 &rst
  ixpk= 232, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 683, 726,
 igr2= 714, 715,
 &end
#
#   12 GLU  HN           12 GLU  HB1         5.00    (#    236:25   Unique)
 &rst
  ixpk= 236, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  25-2:238     50 GLN  HG2         5.00    (#    238:25   Single Ambig)
 &rst
  ixpk= 238, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 541,
 igr2= 714, 715,
 &end
#
#    0 AMB  25-2:239     50 GLN  HG2         5.00    (#    239:25   Single Ambig)
 &rst
  ixpk= 239, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 683, 726,
 igr2= 714, 715,
 &end
#
#   50 GLN  HN           50 GLN  HG2         5.00    (#    240:25   Unique)
 &rst
  ixpk= 240, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 714, 715,
 &end
#
#   40 VAL  MG2          50 GLN  HG2         5.00    (#    241:25   Unique)
 &rst
  ixpk= 241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 714, 715,
 &end
#
#    4 LYS  HA            4 LYS  QB          5.00    (#    243:25   Unique)
 &rst
  ixpk= 243, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  43,  44,
 &end
#
#   13 GLU  HN           12 GLU  HB1         5.00    (#    345:25   Unique)
 &rst
  ixpk= 345, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB1         3.30    (#    348:25   Unique)
 &rst
  ixpk= 348, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 189, 190,
 &end
#
#   12 GLU  HA           12 GLU  HB2         3.30    (#    349:25   Unique)
 &rst
  ixpk= 349, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 189, 190,
 &end
#
#   12 GLU  HN           12 GLU  HB2         5.00    (#    350:25   Unique)
 &rst
  ixpk= 350, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 189, 190,
 &end
#
#    0 AMB  25-2:351      0 AMB  25-1:351    2.70    (#    351:25   Double Ambig)
 &rst
  ixpk= 351, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 192, 193,
 igr2= 189, 190,
 &end
#
#   76 VAL  MGY          12 GLU  HB2         5.00    (#    353:25   Unique)
 &rst
  ixpk= 353, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 189, 190,
 &end
#
#    4 LYS  HG1           4 LYS  QB          2.70    (#    354:25   Unique)
 &rst
  ixpk= 354, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  46,  47,
 igr2=  43,  44,
 &end
#
#   64 LYS  HG1          64 LYS  HB-         3.30    (#    453:25   Unique)
 &rst
  ixpk= 453, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 920, 921,
 igr2= 917, 918,
 &end
#
#    0 AMB  25-2:454     23 LYS  QB          5.00    (#    454:25   Single Ambig)
 &rst
  ixpk= 454, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 315, 358,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:456     23 LYS  QB          5.00    (#    456:25   Single Ambig)
 &rst
  ixpk= 456, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957, 307,
 igr2= 319, 320,
 &end
#
#   23 LYS  HA           23 LYS  QB          5.00    (#    457:25   Unique)
 &rst
  ixpk= 457, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:458     23 LYS  QB          5.00    (#    458:25   Single Ambig)
 &rst
  ixpk= 458, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 319, 320,
 &end
#
#   24 PRO  HD2          23 LYS  QB          5.00    (#    459:25   Unique)
 &rst
  ixpk= 459, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 319, 320,
 &end
#
#   23 LYS  HE1          23 LYS  QB          5.00    (#    460:25   Unique)
 &rst
  ixpk= 460, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 328, 329,
 igr2= 319, 320,
 &end
#
#   65 ASP  HB2          23 LYS  QB          5.00    (#    461:25   Unique)
 &rst
  ixpk= 461, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:465     23 LYS  QB          5.00    (#    465:25   Single Ambig)
 &rst
  ixpk= 465, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 364, 365, 366, 309, 310, 311,
 igr2= 319, 320,
 &end
#
#   10 THR  HN            9 PRO  HB1         6.00    (#    539:25   Unique)
 &rst
  ixpk= 539, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 145, 146,
 &end
#
#   28 PRO  HD1          28 PRO  HB1         5.00    (#    543:25   Unique)
 &rst
  ixpk= 543, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 390, 391,
 igr2= 396, 397,
 &end
#
#   69 LYS  HN           69 LYS  HB2         5.00    (#    544:25   Unique)
 &rst
  ixpk= 544, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB2         3.30    (#    546:25   Unique)
 &rst
  ixpk= 546, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:550      0 AMB  25-1:550    5.00    (#    550:25   Double Ambig)
 &rst
  ixpk= 550, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 179, 180, 181, 884, 885, 886, 888, 889, 890,
 igr2= 145, 146, 917, 918,
 &end
#
#    0 AMB  25-2:551      0 AMB  25-1:551    5.00    (#    551:25   Double Ambig)
 &rst
  ixpk= 551, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 913,  61,  39, 152,
 igr2= 917, 918,  43,  44, 145, 146,
 &end
#
#    0 AMB  25-2:553      0 AMB  25-1:553    2.70    (#    553:25   Double Ambig)
 &rst
  ixpk= 553, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 987, 915,
 igr2= 989, 917, 918,
 &end
#
#    9 PRO  HD1           9 PRO  HB2         3.30    (#    554:25   Unique)
 &rst
  ixpk= 554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:555      0 AMB  25-1:555    3.30    (#    555:25   Double Ambig)
 &rst
  ixpk= 555, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 390, 391, 139, 140,
 igr2= 396, 397, 145, 146,
 &end
#
#   65 ASP  HN           64 LYS  HB+         5.00    (#    556:25   Unique)
 &rst
  ixpk= 556, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 917, 918,
 &end
#
#   63 ILE  HD11         28 PRO  HB2         5.00    (#    557:25   Unique)
 &rst
  ixpk= 557, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#    0 AMB  25-2:558      0 AMB  25-1:558    5.00    (#    558:25   Double Ambig)
 &rst
  ixpk= 558, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 403, 894,
 igr2= 396, 397, 917, 918, 917, 918,
 &end
#
#    0 AMB  25-2:559     69 LYS  HB3         5.00    (#    559:25   Single Ambig)
 &rst
  ixpk= 559, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#   69 LYS  HN           69 LYS  HB3         5.00    (#    560:25   Unique)
 &rst
  ixpk= 560, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HA           69 LYS  HB3         5.00    (#    562:25   Unique)
 &rst
  ixpk= 562, iat= 987, 990, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HA            9 PRO  HB1         3.30    (#    637:25   Unique)
 &rst
  ixpk= 637, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 145, 146,
 &end
#
#    9 PRO  HD2           9 PRO  HB1         5.00    (#    638:25   Unique)
 &rst
  ixpk= 638, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 139, 140,
 igr2= 145, 146,
 &end
#
#    0 AMB  25-2:639     28 PRO  HB1         5.00    (#    639:25   Single Ambig)
 &rst
  ixpk= 639, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 403, 894,
 igr2= 396, 397,
 &end
#
#   28 PRO  HA           28 PRO  HB1         5.00    (#    640:25   Unique)
 &rst
  ixpk= 640, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   61 THR  HB           28 PRO  HB1         5.00    (#    641:25   Unique)
 &rst
  ixpk= 641, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB1         5.00    (#    643:25   Unique)
 &rst
  ixpk= 643, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   63 ILE  HD11         28 PRO  HB1         5.00    (#    644:25   Unique)
 &rst
  ixpk= 644, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 396, 397,
 &end
#
#   17 CYS  HN           16 VAL  HB          3.30    (#    647:25   Unique)
 &rst
  ixpk= 647, iat= 253, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:648     16 VAL  HB          2.70    (#    648:25   Single Ambig)
 &rst
  ixpk= 648, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 243, 244, 245, 247, 248, 249,
 &end
#
#    0 AMB  25-2:650      0 AMB  25-1:650    2.70    (#    650:25   Double Ambig)
 &rst
  ixpk= 650, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 393, 394,
 igr2= 396, 397,
 &end
#
#   61 THR  HG21         28 PRO  HB2         5.00    (#    651:25   Unique)
 &rst
  ixpk= 651, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869,
 igr2= 396, 397,
 &end
#
#   38 GLY  HN           34 CYS  HB3         6.00    (#    712:25   Unique)
 &rst
  ixpk= 712, iat= 517, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 GLN  HN           34 CYS  HB3         5.00    (#    713:25   Unique)
 &rst
  ixpk= 713, iat= 524, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HB3         3.30    (#    714:25   Unique)
 &rst
  ixpk= 714, iat= 474, 477, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   53 CYS  HB2          34 CYS  HB3         6.00    (#    717:25   Unique)
 &rst
  ixpk= 717, iat= 759, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 VAL  MG1          34 CYS  HB3         5.00    (#    718:25   Unique)
 &rst
  ixpk= 718, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 547, 548, 549,
 &end
#
#   39 GLN  HN           34 CYS  HB2         5.00    (#    720:25   Unique)
 &rst
  ixpk= 720, iat= 524, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:722      0 AMB  25-1:722    5.00    (#    722:25   Double Ambig)
 &rst
  ixpk= 722, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 759, 219,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:723      0 AMB  25-1:723    5.00    (#    723:25   Double Ambig)
 &rst
  ixpk= 723, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472,1041, 482,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:724      0 AMB  25-1:724    3.30    (#    724:25   Double Ambig)
 &rst
  ixpk= 724, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 547, 548, 549,1095,1096,1097,1099,1100,1101,
 igr2= 476,1011,
 &end
#
#    0 AMB  25-2:726      0 AMB  25-1:726    3.30    (#    726:25   Double Ambig)
 &rst
  ixpk= 726, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 445, 446, 766, 767,
 igr2= 451, 452, 772, 773,
 &end
#
#   32 PRO  HA           32 PRO  HB2         3.30    (#    728:25   Unique)
 &rst
  ixpk= 728, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 451, 452,
 &end
#
#   16 VAL  HN           16 VAL  HB          3.30    (#    732:25   Unique)
 &rst
  ixpk= 732, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:733     16 VAL  HB          3.30    (#    733:25   Single Ambig)
 &rst
  ixpk= 733, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 239, 338, 339,
 &end
#
#   22 ALA  HN           17 CYS  HB3         5.00    (#    815:25   Unique)
 &rst
  ixpk= 815, iat= 305, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB3         5.00    (#    816:25   Unique)
 &rst
  ixpk= 816, iat= 255, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 GLY  HN            0 AMB  25-1:820    5.00    (#    820:25   Single Ambig)
 &rst
  ixpk= 820, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:821      0 AMB  25-1:821    3.30    (#    821:25   Double Ambig)
 &rst
  ixpk= 821, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1041, 830,
 igr2=1045,1046, 800,
 &end
#
#   73 HIS  HD2           0 AMB  25-1:822    5.00    (#    822:25   Single Ambig)
 &rst
  ixpk= 822, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#   75 ARG  HN            0 AMB  25-1:823    5.00    (#    823:25   Single Ambig)
 &rst
  ixpk= 823, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:824      0 AMB  25-1:824    5.00    (#    824:25   Double Ambig)
 &rst
  ixpk= 824, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1043, 877,
 igr2=1045,1046,
 &end
#
#   70 CYS  HA           70 CYS  HB3         5.00    (#    829:25   Unique)
 &rst
  ixpk= 829, iat=1009,1012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  MGX          70 CYS  HB3         5.00    (#    832:25   Unique)
 &rst
  ixpk= 832, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   53 CYS  HN           53 CYS  HB1         5.00    (#    835:25   Unique)
 &rst
  ixpk= 835, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HA           53 CYS  HB1         5.00    (#    836:25   Unique)
 &rst
  ixpk= 836, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HN           17 CYS  HB2         5.00    (#    837:25   Unique)
 &rst
  ixpk= 837, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 CYS  HA           17 CYS  HB2         3.30    (#    838:25   Unique)
 &rst
  ixpk= 838, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   22 ALA  HN           17 CYS  HB2         5.00    (#    839:25   Unique)
 &rst
  ixpk= 839, iat= 305, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HD21         56 CYS  HB1         5.00    (#    848:25   Unique)
 &rst
  ixpk= 848, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#   34 CYS  HA           34 CYS  HB2         3.30    (#    850:25   Unique)
 &rst
  ixpk= 850, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 GLY  HN           34 CYS  HB2         5.00    (#    851:25   Unique)
 &rst
  ixpk= 851, iat= 517, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   70 CYS  HA           70 CYS  HB2         5.00    (#    853:25   Unique)
 &rst
  ixpk= 853, iat=1009,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:854      0 AMB  25-1:854    6.00    (#    854:25   Double Ambig)
 &rst
  ixpk= 854, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1045,1046, 300, 301, 856, 857,
 igr2=1011, 476,
 &end
#
#   49 VAL  MG2          42 MET  HG1         5.00    (#    857:25   Unique)
 &rst
  ixpk= 857, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703,
 igr2= 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG1         5.00    (#    858:25   Unique)
 &rst
  ixpk= 858, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#   42 MET  HA           42 MET  HG1         5.00    (#    859:25   Unique)
 &rst
  ixpk= 859, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:862      0 AMB  25-1:862    5.00    (#    862:25   Double Ambig)
 &rst
  ixpk= 862, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582, 581, 582,
 &end
#
#    0 AMB  25-2:863      0 AMB  25-1:863    3.30    (#    863:25   Double Ambig)
 &rst
  ixpk= 863, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 578, 579,
 igr2= 581, 582, 581, 582,
 &end
#
#   40 VAL  MG2           0 AMB  25-1:864    5.00    (#    864:25   Single Ambig)
 &rst
  ixpk= 864, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 551, 552, 553,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 MET  HN           42 MET  HG2         5.00    (#    865:25   Unique)
 &rst
  ixpk= 865, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:868     42 MET  HG2         3.30    (#    868:25   Single Ambig)
 &rst
  ixpk= 868, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 578, 579, 587, 588, 589,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:869      0 AMB  25-1:869    5.00    (#    869:25   Double Ambig)
 &rst
  ixpk= 869, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 243, 244, 245, 701, 702, 703,
 igr2= 344, 345, 581, 582,
 &end
#
#   54 PRO  HA           54 PRO  HB1         3.30    (#    870:25   Unique)
 &rst
  ixpk= 870, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 772, 773,
 &end
#
#    0 AMB  25-2:871      0 AMB  25-1:871    5.00    (#    871:25   Double Ambig)
 &rst
  ixpk= 871, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 772, 773,
 &end
#
#   29 GLN  HN           29 GLN  HB1         5.00    (#    872:25   Unique)
 &rst
  ixpk= 872, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#   60 GLY  HN            0 AMB  25-1:874    5.00    (#    874:25   Single Ambig)
 &rst
  ixpk= 874, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  25-2:875      0 AMB  25-1:875    3.30    (#    875:25   Double Ambig)
 &rst
  ixpk= 875, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 830, 253,
 igr2= 834, 835, 219,
 &end
#
#    0 AMB  25-2:876     59 ARG  QB          5.00    (#    876:25   Single Ambig)
 &rst
  ixpk= 876, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 861,
 igr2= 834, 835,
 &end
#
#   29 GLN  HA           29 GLN  HB1         5.00    (#    877:25   Unique)
 &rst
  ixpk= 877, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 407, 408,
 &end
#
#    0 AMB  25-2:878      0 AMB  25-1:878    6.00    (#    878:25   Double Ambig)
 &rst
  ixpk= 878, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 282, 283, 543, 877,
 igr2= 219, 759, 834, 835,
 &end
#
#   53 CYS  HA           53 CYS  HB2         5.00    (#    879:25   Unique)
 &rst
  ixpk= 879, iat= 757, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HA           59 ARG  QB          3.30    (#    880:25   Unique)
 &rst
  ixpk= 880, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 834, 835,
 &end
#
#    0 AMB  25-2:881      0 AMB  25-1:881    3.30    (#    881:25   Double Ambig)
 &rst
  ixpk= 881, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 840, 841, 800,
 igr2= 834, 835, 759,
 &end
#
#    0 AMB  25-2:883      0 AMB  25-1:883    5.00    (#    883:25   Double Ambig)
 &rst
  ixpk= 883, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 917, 918, 396, 397, 769, 770,
 igr2= 408, 834, 835, 759,
 &end
#
#    0 AMB  25-2:885      0 AMB  25-1:885    5.00    (#    885:25   Double Ambig)
 &rst
  ixpk= 885, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 884, 885, 886, 551, 552, 553, 888, 889, 890,
 igr2= 408, 759,
 &end
#
#    0 AMB  25-2:886      0 AMB  25-1:886    2.70    (#    886:25   Double Ambig)
 &rst
  ixpk= 886, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 445, 446,
 igr2= 451, 452,
 &end
#
#    0 AMB  25-2:887      0 AMB  25-1:887    5.00    (#    887:25   Double Ambig)
 &rst
  ixpk= 887, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 884, 885, 886, 888, 889, 890,
 igr2= 451, 452, 438,
 &end
#
#    0 AMB  25-2:890      0 AMB  25-1:890    3.30    (#    890:25   Double Ambig)
 &rst
  ixpk= 890, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 948, 949, 424,
 igr2= 954, 955, 407,
 &end
#
#   29 GLN  HA           29 GLN  HB2         5.00    (#    894:25   Unique)
 &rst
  ixpk= 894, iat= 405, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:987      0 AMB  25-1:987    6.00    (#    987:25   Double Ambig)
 &rst
  ixpk= 987, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 834, 835, 759, 219,
 igr2= 800,1045,1046,
 &end
#
#   62 LEU  HD21         56 CYS  HB2         5.00    (#    988:25   Unique)
 &rst
  ixpk= 988, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  25-2:989      0 AMB  25-1:989    3.30    (#    989:25   Double Ambig)
 &rst
  ixpk= 989, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 215, 434,
 igr2= 220, 439,
 &end
#
#    0 AMB  25-2:991      0 AMB  25-1:991    5.00    (#    991:25   Double Ambig)
 &rst
  ixpk= 991, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 482, 472, 253, 830,
 igr2= 439, 220, 760,
 &end
#
#    0 AMB  25-2:994      0 AMB  25-1:994    3.30    (#    994:25   Double Ambig)
 &rst
  ixpk= 994, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 282, 283, 825, 826, 501, 502,
 igr2= 220, 760, 439,
 &end
#
#   31 CYS  HA           31 CYS  HB3         3.30    (#    995:25   Unique)
 &rst
  ixpk= 995, iat= 436, 439, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:996      0 AMB  25-1:996    5.00    (#    996:25   Double Ambig)
 &rst
  ixpk= 996, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 519, 520,1060,1061,
 igr2= 760, 220,
 &end
#
#   34 CYS  HB2          53 CYS  HB1         5.00    (#    999:25   Unique)
 &rst
  ixpk= 999, iat= 476, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:1000     0 AMB  25-1:1000   5.00    (#   1000:25   Double Ambig)
 &rst
  ixpk= 1000, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 747, 748, 749, 426, 427, 428,
 igr2= 760, 439,
 &end
#
#    0 AMB  25-2:1001     0 AMB  25-1:1001   5.00    (#   1001:25   Double Ambig)
 &rst
  ixpk= 1001, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 220, 760,
 &end
#
#    0 AMB  25-2:1002     0 AMB  25-1:1002   5.00    (#   1002:25   Double Ambig)
 &rst
  ixpk= 1002, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 551, 552, 553, 888, 889, 890, 884, 885, 886,
 igr2= 760, 439,
 &end
#
#   24 PRO  HA           24 PRO  HB1         3.30    (#   1005:25   Unique)
 &rst
  ixpk= 1005, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   24 PRO  HD2          24 PRO  HB1         5.00    (#   1006:25   Unique)
 &rst
  ixpk= 1006, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 344, 345,
 &end
#
#   24 PRO  HD1          24 PRO  HB1         5.00    (#   1008:25   Unique)
 &rst
  ixpk= 1008, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 344, 345,
 &end
#
#   53 CYS  HN           53 CYS  HB2         5.00    (#   1009:25   Unique)
 &rst
  ixpk= 1009, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1012:25   Unique)
 &rst
  ixpk= 1012, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1015     0 AMB  25-1:1015   5.00    (#   1015:25   Double Ambig)
 &rst
  ixpk= 1015, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1095,1096,1097,1099,1100,1101, 547, 548, 549,
 igr2= 219, 759,
 &end
#
#   14 CYS  HN           14 CYS  HB2         3.30    (#   1016:25   Unique)
 &rst
  ixpk= 1016, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1018     0 AMB  25-1:1018   5.00    (#   1018:25   Double Ambig)
 &rst
  ixpk= 1018, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1021,1022, 856, 857, 800,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  25-2:1019     0 AMB  25-1:1019   5.00    (#   1019:25   Double Ambig)
 &rst
  ixpk= 1019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 948, 949, 477,
 igr2= 954, 955, 438,
 &end
#
#    0 AMB  25-2:1021     0 AMB  25-1:1021   3.30    (#   1021:25   Double Ambig)
 &rst
  ixpk= 1021, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 900, 901, 902, 888, 889, 890,
 igr2= 954, 955, 438,
 &end
#
#   24 PRO  HD2           0 AMB  25-1:1022   5.00    (#   1022:25   Single Ambig)
 &rst
  ixpk= 1022, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339,
 igr2= 344, 345, 241,
 &end
#
#   24 PRO  HA           24 PRO  HB2         3.30    (#   1024:25   Unique)
 &rst
  ixpk= 1024, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 344, 345,
 &end
#
#   67 CYS  HN           66 PRO  HB2         5.00    (#   1025:25   Unique)
 &rst
  ixpk= 1025, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 954, 955,
 &end
#
#    0 AMB  25-2:1026    66 PRO  HB2         5.00    (#   1026:25   Single Ambig)
 &rst
  ixpk= 1026, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1019, 957,
 igr2= 954, 955,
 &end
#
#   66 PRO  HD1          66 PRO  HB2         5.00    (#   1027:25   Unique)
 &rst
  ixpk= 1027, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 954, 955,
 &end
#
#   66 PRO  HD2          66 PRO  HB2         5.00    (#   1028:25   Unique)
 &rst
  ixpk= 1028, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HB2         5.00    (#   1031:25   Unique)
 &rst
  ixpk= 1031, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 954, 955,
 &end
#
#    0 AMB  25-2:1097    14 CYS  HB3         3.30    (#   1097:25   Single Ambig)
 &rst
  ixpk= 1097, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 217, 291,1060,1061,
 &end
#
#    0 AMB  25-2:1098    14 CYS  HB2         3.30    (#   1098:25   Single Ambig)
 &rst
  ixpk= 1098, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 217, 291,1060,1061,
 &end
#
#   76 VAL  MGX          14 CYS  HB2         5.00    (#   1100:25   Unique)
 &rst
  ixpk= 1100, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:1157    67 CYS  HB3         5.00    (#   1157:25   Single Ambig)
 &rst
  ixpk= 1157, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 961, 305,
 &end
#
#    0 AMB  25-2:1160    67 CYS  HB3         5.00    (#   1160:25   Single Ambig)
 &rst
  ixpk= 1160, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 307,1019, 957,
 &end
#
#    0 AMB  25-2:1161    67 CYS  HB3         5.00    (#   1161:25   Single Ambig)
 &rst
  ixpk= 1161, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 963, 338, 339,
 &end
#
#    0 AMB  25-2:1163    67 CYS  HB2         3.30    (#   1163:25   Single Ambig)
 &rst
  ixpk= 1163, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 961, 305,
 &end
#
#    0 AMB  25-2:1164    67 CYS  HB2         3.30    (#   1164:25   Single Ambig)
 &rst
  ixpk= 1164, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 963, 338, 339,
 &end
#
#   79 SER  HN           78 ARG  HB+         6.00    (#   1239:25   Unique)
 &rst
  ixpk= 1239, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#    0 AMB  25-2:1240     0 AMB  25-1:1240   6.00    (#   1240:25   Double Ambig)
 &rst
  ixpk= 1240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 282, 283,1107,
 igr2= 204, 205,1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB+         3.30    (#   1241:25   Unique)
 &rst
  ixpk= 1241, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   78 ARG  HN           78 ARG  HB-         5.00    (#   1243:25   Unique)
 &rst
  ixpk= 1243, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1124,1125,
 &end
#
#   78 ARG  HA           78 ARG  HB-         3.30    (#   1245:25   Unique)
 &rst
  ixpk= 1245, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   13 GLU  HN           13 GLU  HB1         5.00    (#   1336:25   Unique)
 &rst
  ixpk= 1336, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB1         5.00    (#   1337:25   Unique)
 &rst
  ixpk= 1337, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#   13 GLU  HA           13 GLU  HB2         5.00    (#   1338:25   Unique)
 &rst
  ixpk= 1338, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-2:1340     0 AMB  25-1:1340   3.30    (#   1340:25   Double Ambig)
 &rst
  ixpk= 1340, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 204, 205,
 &end
#
#   43 ARG  HA           43 ARG  HB+         5.00    (#   1343:25   Unique)
 &rst
  ixpk= 1343, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:1344     0 AMB  25-1:1344   3.30    (#   1344:25   Double Ambig)
 &rst
  ixpk= 1344, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 603, 604,1130,1131,
 igr2= 597, 598,1124,1125,
 &end
#
#    7 ARG  HA            7 ARG  QB          5.00    (#   1346:25   Unique)
 &rst
  ixpk= 1346, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  99, 100,
 &end
#
#   43 ARG  HA           43 ARG  HB-         5.00    (#   1349:25   Unique)
 &rst
  ixpk= 1349, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 597, 598,
 &end
#
#   78 ARG  HA           78 ARG  HB-         3.30    (#   1355:25   Unique)
 &rst
  ixpk= 1355, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1124,1125,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   1495:25   Unique)
 &rst
  ixpk= 1495, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   1496:25   Unique)
 &rst
  ixpk= 1496, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   28 PRO  HD1          27 GLN  HB2         5.00    (#   1500:25   Unique)
 &rst
  ixpk= 1500, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#   27 GLN  HG1          27 GLN  HB2         3.30    (#   1501:25   Unique)
 &rst
  ixpk= 1501, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 379, 380,
 &end
#
#    5 GLU  HA            5 GLU  HB1         5.00    (#   1551:25   Unique)
 &rst
  ixpk= 1551, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    0 AMB  25-2:1552     0 AMB  25-1:1552   3.30    (#   1552:25   Double Ambig)
 &rst
  ixpk= 1552, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#   77 GLU  HA           77 GLU  HB1         3.30    (#   1553:25   Unique)
 &rst
  ixpk= 1553, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1109,1110,
 &end
#
#    0 AMB  25-2:1554     0 AMB  25-1:1554   5.00    (#   1554:25   Double Ambig)
 &rst
  ixpk= 1554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 179, 180, 181, 551, 552, 553,
 igr2=1109,1110, 561, 562,
 &end
#
#   40 VAL  MG2          50 GLN  HB-         6.00    (#   1555:25   Unique)
 &rst
  ixpk= 1555, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 551, 552, 553,
 igr2= 711, 712,
 &end
#
#   27 GLN  HA           27 GLN  HB2         5.00    (#   1556:25   Unique)
 &rst
  ixpk= 1556, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 MET  HN            0 AMB  25-1:1651   5.00    (#   1651:25   Single Ambig)
 &rst
  ixpk= 1651, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 561, 562,
 &end
#
#    0 AMB  25-2:1652     0 AMB  25-1:1652   3.30    (#   1652:25   Double Ambig)
 &rst
  ixpk= 1652, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  61, 557,
 igr2=  65,  66, 561, 562,
 &end
#
#   50 GLN  HA            0 AMB  25-1:1653   2.70    (#   1653:25   Single Ambig)
 &rst
  ixpk= 1653, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 711, 712, 561, 562,
 &end
#
#   41 GLN  HA            0 AMB  25-1:1654   2.70    (#   1654:25   Single Ambig)
 &rst
  ixpk= 1654, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 711, 712, 561, 562,
 &end
#
#   44 GLN  HN           44 GLN  HB3         3.30    (#   1656:25   Unique)
 &rst
  ixpk= 1656, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:1763     0 AMB  25-1:1763   3.30    (#   1763:25   Double Ambig)
 &rst
  ixpk= 1763, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 685, 686, 687, 992, 993,
 igr2= 561, 562, 995, 996, 711, 712,
 &end
#
#   44 GLN  HA           44 GLN  HB2         5.00    (#   1847:25   Unique)
 &rst
  ixpk= 1847, iat= 619, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HE1          69 LYS  HD2         3.30    (#   1852:25   Unique)
 &rst
  ixpk= 1852, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 998, 999,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1854    69 LYS  HD2         5.00    (#   1854:25   Single Ambig)
 &rst
  ixpk= 1854, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1856    69 LYS  HD1         3.30    (#   1856:25   Single Ambig)
 &rst
  ixpk= 1856, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 995, 996,
 &end
#
#    0 AMB  25-2:1923    23 LYS  HD1         6.00    (#   1923:25   Single Ambig)
 &rst
  ixpk= 1923, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 315, 358,
 igr2= 325, 326,
 &end
#
#   23 LYS  HA           23 LYS  HD1         5.00    (#   1925:25   Unique)
 &rst
  ixpk= 1925, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:1926    23 LYS  HD1         5.00    (#   1926:25   Single Ambig)
 &rst
  ixpk= 1926, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 338, 339, 963,
 igr2= 325, 326,
 &end
#
#   23 LYS  HE1          23 LYS  HD1         3.30    (#   1927:25   Unique)
 &rst
  ixpk= 1927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 328, 329,
 igr2= 325, 326,
 &end
#
#   65 ASP  HB3          23 LYS  HD1         5.00    (#   1928:25   Unique)
 &rst
  ixpk= 1928, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   26 THR  HG21         23 LYS  HD1         5.00    (#   1931:25   Unique)
 &rst
  ixpk= 1931, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 365, 366,
 igr2= 325, 326,
 &end
#
#   65 ASP  HB2          23 LYS  HD1         5.00    (#   2019:25   Unique)
 &rst
  ixpk= 2019, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 325, 326,
 &end
#
#   64 LYS  HA           64 LYS  HD1         5.00    (#   2304:25   Unique)
 &rst
  ixpk= 2304, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   64 LYS  HE1          64 LYS  HD1         3.30    (#   2305:25   Unique)
 &rst
  ixpk= 2305, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   24 PRO  HD1          24 PRO  HG2         5.00    (#   2491:25   Unique)
 &rst
  ixpk= 2491, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   63 ILE  HD11         28 PRO  HG2         5.00    (#   2556:25   Unique)
 &rst
  ixpk= 2556, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   24 PRO  HA           24 PRO  HG1         5.00    (#   2557:25   Unique)
 &rst
  ixpk= 2557, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 341, 342,
 &end
#
#   23 LYS  HA           24 PRO  HG1         5.00    (#   2558:25   Unique)
 &rst
  ixpk= 2558, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD1          24 PRO  HG1         3.30    (#   2559:25   Unique)
 &rst
  ixpk= 2559, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG1         5.00    (#   2560:25   Unique)
 &rst
  ixpk= 2560, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#    0 AMB  25-2:2564    24 PRO  HG1         5.00    (#   2564:25   Single Ambig)
 &rst
  ixpk= 2564, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   24 PRO  HD2          24 PRO  HG2         5.00    (#   2565:25   Unique)
 &rst
  ixpk= 2565, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 338, 339,
 igr2= 341, 342,
 &end
#
#   24 PRO  HB1          24 PRO  HG2         5.00    (#   2567:25   Unique)
 &rst
  ixpk= 2567, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#    0 AMB  25-2:2568    24 PRO  HG2         5.00    (#   2568:25   Single Ambig)
 &rst
  ixpk= 2568, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 243, 244, 245, 247, 248, 249,
 igr2= 341, 342,
 &end
#
#   27 GLN  HA           28 PRO  HG2         5.00    (#   2629:25   Unique)
 &rst
  ixpk= 2629, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HA           28 PRO  HG2         5.00    (#   2630:25   Unique)
 &rst
  ixpk= 2630, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG2         2.70    (#   2632:25   Unique)
 &rst
  ixpk= 2632, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG1         5.00    (#   2637:25   Unique)
 &rst
  ixpk= 2637, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG1         5.00    (#   2638:25   Unique)
 &rst
  ixpk= 2638, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG1         5.00    (#   2639:25   Unique)
 &rst
  ixpk= 2639, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   59 ARG  HE           59 ARG  HG1         5.00    (#   2642:25   Unique)
 &rst
  ixpk= 2642, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   28 PRO  HA           28 PRO  HG1         5.00    (#   2645:25   Unique)
 &rst
  ixpk= 2645, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 393, 394,
 &end
#
#   28 PRO  HD1          28 PRO  HG1         3.30    (#   2647:25   Unique)
 &rst
  ixpk= 2647, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 390, 391,
 igr2= 393, 394,
 &end
#
#   63 ILE  HD11         28 PRO  HG1         5.00    (#   2650:25   Unique)
 &rst
  ixpk= 2650, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 907, 908, 909,
 igr2= 393, 394,
 &end
#
#   59 ARG  HN           59 ARG  HG2         5.00    (#   2651:25   Unique)
 &rst
  ixpk= 2651, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HE           59 ARG  HG2         5.00    (#   2652:25   Unique)
 &rst
  ixpk= 2652, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HA           59 ARG  HG2         5.00    (#   2654:25   Unique)
 &rst
  ixpk= 2654, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 837, 838,
 &end
#
#   59 ARG  HD1          59 ARG  HG2         5.00    (#   2655:25   Unique)
 &rst
  ixpk= 2655, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 840, 841,
 igr2= 837, 838,
 &end
#
#   63 ILE  HN           63 ILE  HG11        5.00    (#   2658:25   Unique)
 &rst
  ixpk= 2658, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    0 AMB  25-2:2659    63 ILE  HG11        5.00    (#   2659:25   Single Ambig)
 &rst
  ixpk= 2659, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 877, 399,1043,
 igr2= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HG11        2.70    (#   2660:25   Unique)
 &rst
  ixpk= 2660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 907, 908, 909,
 igr2= 904, 905,
 &end
#
#   63 ILE  HA           63 ILE  HG11        5.00    (#   2662:25   Unique)
 &rst
  ixpk= 2662, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 904, 905,
 &end
#
#    0 AMB  25-2:2796     9 PRO  HG2         3.30    (#   2796:25   Single Ambig)
 &rst
  ixpk= 2796, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 148, 121,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG2         3.30    (#   2797:25   Unique)
 &rst
  ixpk= 2797, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG2         3.30    (#   2798:25   Unique)
 &rst
  ixpk= 2798, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    0 AMB  25-2:2800     9 PRO  HG1         3.30    (#   2800:25   Single Ambig)
 &rst
  ixpk= 2800, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 148, 121,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD1           9 PRO  HG1         3.30    (#   2801:25   Unique)
 &rst
  ixpk= 2801, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#    9 PRO  HD2           9 PRO  HG1         3.30    (#   2802:25   Unique)
 &rst
  ixpk= 2802, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 139, 140,
 igr2= 142, 143,
 &end
#
#   43 ARG  HA           43 ARG  HG1         5.00    (#   2860:25   Unique)
 &rst
  ixpk= 2860, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2861     0 AMB  25-1:2861   2.70    (#   2861:25   Double Ambig)
 &rst
  ixpk= 2861, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 603, 604,1130,1131,
 igr2= 600, 601,1127,1128,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.00    (#   2864:25   Unique)
 &rst
  ixpk= 2864, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:2865     0 AMB  25-1:2865   3.30    (#   2865:25   Double Ambig)
 &rst
  ixpk= 2865, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   11 LEU  HD21         11 LEU  HG          3.30    (#   2866:25   Unique)
 &rst
  ixpk= 2866, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 179, 180, 181,
 &end
#
#   43 ARG  HA           43 ARG  HG2         5.00    (#   2867:25   Unique)
 &rst
  ixpk= 2867, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2869     0 AMB  25-1:2869   3.30    (#   2869:25   Double Ambig)
 &rst
  ixpk= 2869, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 603, 604,1130,1131, 105, 106,
 igr2= 600, 601,1127,1128, 102, 103,
 &end
#
#    0 AMB  25-2:2873     0 AMB  25-1:2873   6.00    (#   2873:25   Double Ambig)
 &rst
  ixpk= 2873, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  78, 292,
 igr2=  86,  87, 904, 905,
 &end
#
#   31 CYS  HA           62 LEU  HG          5.00    (#   2876:25   Unique)
 &rst
  ixpk= 2876, iat= 436, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 PRO  HD1          62 LEU  HG          5.00    (#   2877:25   Unique)
 &rst
  ixpk= 2877, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   62 LEU  HD21         62 LEU  HG          5.00    (#   2880:25   Unique)
 &rst
  ixpk= 2880, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 888, 889, 890,
 &end
#
#    6 ILE  HA            0 AMB  25-1:2881   5.00    (#   2881:25   Single Ambig)
 &rst
  ixpk= 2881, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  86,  87, 129, 130,
 &end
#
#   65 ASP  HA           66 PRO  HG1         5.00    (#   2966:25   Unique)
 &rst
  ixpk= 2966, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG1         3.30    (#   2967:25   Unique)
 &rst
  ixpk= 2967, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG1         5.00    (#   2968:25   Unique)
 &rst
  ixpk= 2968, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#   63 ILE  HG21         66 PRO  HG1         5.00    (#   2969:25   Unique)
 &rst
  ixpk= 2969, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 951, 952,
 &end
#
#   65 ASP  HA           66 PRO  HG2         5.00    (#   2970:25   Unique)
 &rst
  ixpk= 2970, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 951, 952,
 &end
#
#    0 AMB  25-2:2971    66 PRO  HG2         5.00    (#   2971:25   Single Ambig)
 &rst
  ixpk= 2971, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957,1019,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD1          66 PRO  HG2         5.00    (#   2972:25   Unique)
 &rst
  ixpk= 2972, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HD2          66 PRO  HG2         5.00    (#   2973:25   Unique)
 &rst
  ixpk= 2973, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HG2         5.00    (#   2976:25   Unique)
 &rst
  ixpk= 2976, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 954, 955,
 igr2= 951, 952,
 &end
#
#   63 ILE  HG21         66 PRO  HG2         5.00    (#   2977:25   Unique)
 &rst
  ixpk= 2977, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902,
 igr2= 951, 952,
 &end
#
#    7 ARG  HD1           7 ARG  HG2         2.70    (#   2984:25   Unique)
 &rst
  ixpk= 2984, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 105, 106,
 igr2= 102, 103,
 &end
#
#    5 GLU  HB1           7 ARG  HG2         5.00    (#   2985:25   Unique)
 &rst
  ixpk= 2985, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  65,  66,
 igr2= 102, 103,
 &end
#
#    8 ILE  HN            0 AMB  25-1:2986   5.00    (#   2986:25   Single Ambig)
 &rst
  ixpk= 2986, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 129, 130,  86,  87,
 &end
#
#    0 AMB  25-2:2987     0 AMB  25-1:2987   3.30    (#   2987:25   Double Ambig)
 &rst
  ixpk= 2987, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 129, 130,
 &end
#
#    0 AMB  25-2:2990     0 AMB  25-1:2990   3.30    (#   2990:25   Double Ambig)
 &rst
  ixpk= 2990, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 123,  80,
 igr2= 129, 130,  86,  87,
 &end
#
#   75 ARG  HA           75 ARG  HG2         5.00    (#   3136:25   Unique)
 &rst
  ixpk= 3136, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#    8 ILE  HN            0 AMB  25-1:3137   6.00    (#   3137:25   Single Ambig)
 &rst
  ixpk= 3137, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 129, 130,  86,  87,
 &end
#
#    8 ILE  HA            0 AMB  25-1:3138   5.00    (#   3138:25   Single Ambig)
 &rst
  ixpk= 3138, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 129, 130,  86,  87,
 &end
#
#   32 PRO  HA           32 PRO  HG1         5.00    (#   3202:25   Unique)
 &rst
  ixpk= 3202, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#    0 AMB  25-2:3203    32 PRO  HG1         5.00    (#   3203:25   Single Ambig)
 &rst
  ixpk= 3203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 472, 482,
 igr2= 448, 449,
 &end
#
#   31 CYS  HA           32 PRO  HG1         5.00    (#   3204:25   Unique)
 &rst
  ixpk= 3204, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#   32 PRO  HD1          32 PRO  HG1         3.30    (#   3205:25   Unique)
 &rst
  ixpk= 3205, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 445, 446,
 igr2= 448, 449,
 &end
#
#   40 VAL  MG2          54 PRO  HG1         5.00    (#   3209:25   Unique)
 &rst
  ixpk= 3209, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 551, 552, 553,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG1         2.70    (#   3210:25   Unique)
 &rst
  ixpk= 3210, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   13 GLU  HA           75 ARG  HG2         5.00    (#   3214:25   Unique)
 &rst
  ixpk= 3214, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG2         5.00    (#   3215:25   Unique)
 &rst
  ixpk= 3215, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   75 ARG  HA           75 ARG  HG1         5.00    (#   3218:25   Unique)
 &rst
  ixpk= 3218, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   13 GLU  HA           75 ARG  HG1         5.00    (#   3219:25   Unique)
 &rst
  ixpk= 3219, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1072,1073,
 &end
#
#   75 ARG  HD1          75 ARG  HG1         3.30    (#   3220:25   Unique)
 &rst
  ixpk= 3220, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1075,1076,
 igr2=1072,1073,
 &end
#
#   54 PRO  HD1          54 PRO  HG1         5.00    (#   3313:25   Unique)
 &rst
  ixpk= 3313, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HA           54 PRO  HG2         5.00    (#   3316:25   Unique)
 &rst
  ixpk= 3316, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD1          54 PRO  HG2         5.00    (#   3317:25   Unique)
 &rst
  ixpk= 3317, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HD2          54 PRO  HG2         5.00    (#   3318:25   Unique)
 &rst
  ixpk= 3318, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#   54 PRO  HB1          54 PRO  HG2         5.00    (#   3319:25   Unique)
 &rst
  ixpk= 3319, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 LYS  HA           69 LYS  HG1         5.00    (#   3415:25   Unique)
 &rst
  ixpk= 3415, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG1         5.00    (#   3416:25   Unique)
 &rst
  ixpk= 3416, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3417    69 LYS  HG1         5.00    (#   3417:25   Single Ambig)
 &rst
  ixpk= 3417, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG1         5.00    (#   3418:25   Unique)
 &rst
  ixpk= 3418, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3421    69 LYS  HG1         5.00    (#   3421:25   Single Ambig)
 &rst
  ixpk= 3421, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   69 LYS  HA           69 LYS  HG2         5.00    (#   3422:25   Unique)
 &rst
  ixpk= 3422, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 992, 993,
 &end
#
#   69 LYS  HE1          69 LYS  HG2         3.30    (#   3423:25   Unique)
 &rst
  ixpk= 3423, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 998, 999,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3424    69 LYS  HG2         5.00    (#   3424:25   Single Ambig)
 &rst
  ixpk= 3424, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 995, 996,
 igr2= 992, 993,
 &end
#
#   69 LYS  HB2          69 LYS  HG2         3.30    (#   3425:25   Unique)
 &rst
  ixpk= 3425, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 992, 993,
 &end
#
#    0 AMB  25-2:3426    69 LYS  HG2         3.30    (#   3426:25   Single Ambig)
 &rst
  ixpk= 3426, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 990, 995, 996,
 igr2= 992, 993,
 &end
#
#   76 VAL  MGX          69 LYS  HG2         5.00    (#   3428:25   Unique)
 &rst
  ixpk= 3428, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2= 992, 993,
 &end
#
#   57 GLN  HN           57 GLN  HB3         5.00    (#   3545:25   Unique)
 &rst
  ixpk= 3545, iat= 806, 811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:3657    62 LEU  HD11        5.00    (#   3657:25   Single Ambig)
 &rst
  ixpk= 3657, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 877, 399,
 igr2= 884, 885, 886,
 &end
#
#    0 AMB  25-2:3658    62 LEU  HD11        5.00    (#   3658:25   Single Ambig)
 &rst
  ixpk= 3658, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 436, 915,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HD1          62 LEU  HD11        3.30    (#   3659:25   Unique)
 &rst
  ixpk= 3659, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 445, 446,
 igr2= 884, 885, 886,
 &end
#
#   32 PRO  HB2          62 LEU  HD11        5.00    (#   3660:25   Unique)
 &rst
  ixpk= 3660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 451, 452,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB2          62 LEU  HD11        5.00    (#   3661:25   Unique)
 &rst
  ixpk= 3661, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 884, 885, 886,
 &end
#
#   62 LEU  HB3          62 LEU  HD11        3.30    (#   3662:25   Unique)
 &rst
  ixpk= 3662, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 884, 885, 886,
 &end
#
#   77 GLU  HG2          11 LEU  HD11        6.00    (#   3799:25   Unique)
 &rst
  ixpk= 3799, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1112,1113,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HN           11 LEU  HD11        5.00    (#   3839:25   Unique)
 &rst
  ixpk= 3839, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HA           11 LEU  HD11        5.00    (#   3840:25   Unique)
 &rst
  ixpk= 3840, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3841    11 LEU  HD11        5.00    (#   3841:25   Single Ambig)
 &rst
  ixpk= 3841, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1107,1091,
 igr2= 175, 176, 177,
 &end
#
#   75 ARG  HD1          11 LEU  HD11        6.00    (#   3842:25   Unique)
 &rst
  ixpk= 3842, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1075,1076,
 igr2= 175, 176, 177,
 &end
#
#   77 GLU  HB1          11 LEU  HD11        5.00    (#   3844:25   Unique)
 &rst
  ixpk= 3844, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 175, 176, 177,
 &end
#
#    9 PRO  HB2          11 LEU  HD11        6.00    (#   3846:25   Unique)
 &rst
  ixpk= 3846, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 145, 146,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3847    11 LEU  HD11        3.30    (#   3847:25   Single Ambig)
 &rst
  ixpk= 3847, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 170,1069,
 igr2= 175, 176, 177,
 &end
#
#    0 AMB  25-2:3848    11 LEU  HD11        3.30    (#   3848:25   Single Ambig)
 &rst
  ixpk= 3848, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1072,1073, 173,
 igr2= 175, 176, 177,
 &end
#
#   11 LEU  HB3          11 LEU  HD11        5.00    (#   3849:25   Unique)
 &rst
  ixpk= 3849, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 175, 176, 177,
 &end
#
#   64 LYS  HE1          64 LYS  HG1         5.00    (#   4001:25   Unique)
 &rst
  ixpk= 4001, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#   64 LYS  HB+          64 LYS  HG1         3.30    (#   4002:25   Unique)
 &rst
  ixpk= 4002, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#   64 LYS  HE1          64 LYS  HG2         5.00    (#   4004:25   Unique)
 &rst
  ixpk= 4004, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 920, 921,
 &end
#
#   64 LYS  HB+          64 LYS  HG2         3.30    (#   4005:25   Unique)
 &rst
  ixpk= 4005, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 917, 918,
 igr2= 920, 921,
 &end
#
#   61 THR  HA           61 THR  HB          3.30    (#   4074:25   Unique)
 &rst
  ixpk= 4074, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:4076    61 THR  HB          5.00    (#   4076:25   Single Ambig)
 &rst
  ixpk= 4076, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 399, 877,
 &end
#
#    0 AMB  25-2:4077    61 THR  HB          5.00    (#   4077:25   Single Ambig)
 &rst
  ixpk= 4077, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 396, 397, 393, 394,
 &end
#
#   61 THR  HG21         61 THR  HB          3.30    (#   4078:25   Unique)
 &rst
  ixpk= 4078, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#    0 AMB  25-2:4081     0 AMB  25-1:4081   5.00    (#   4081:25   Double Ambig)
 &rst
  ixpk= 4081, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   64 LYS  HA           64 LYS  HG2         5.00    (#   4084:25   Unique)
 &rst
  ixpk= 4084, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 920, 921,
 &end
#
#   62 LEU  HN           61 THR  HB          5.00    (#   4158:25   Unique)
 &rst
  ixpk= 4158, iat= 875, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:4159    61 THR  HB          3.30    (#   4159:25   Single Ambig)
 &rst
  ixpk= 4159, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 393, 394, 408,
 &end
#
#    0 AMB  25-2:4236    23 LYS  HG1         5.00    (#   4236:25   Single Ambig)
 &rst
  ixpk= 4236, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329, 966,
 igr2= 322, 323,
 &end
#
#   12 GLU  HN           11 LEU  HD21        5.00    (#   4460:25   Unique)
 &rst
  ixpk= 4460, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4461     0 AMB  25-1:4461   3.30    (#   4461:25   Double Ambig)
 &rst
  ixpk= 4461, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 894,1105,
 igr2= 888, 889, 890, 179, 180, 181,
 &end
#
#   11 LEU  HN           11 LEU  HD21        5.00    (#   4462:25   Unique)
 &rst
  ixpk= 4462, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#   11 LEU  HA           11 LEU  HD21        5.00    (#   4463:25   Unique)
 &rst
  ixpk= 4463, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4464    11 LEU  HD21        2.70    (#   4464:25   Single Ambig)
 &rst
  ixpk= 4464, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1107,1091,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4465    11 LEU  HD21        5.00    (#   4465:25   Single Ambig)
 &rst
  ixpk= 4465, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122, 154,
 igr2= 179, 180, 181,
 &end
#
#   75 ARG  HD1          11 LEU  HD21        5.00    (#   4466:25   Unique)
 &rst
  ixpk= 4466, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1075,1076,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG1          11 LEU  HD21        5.00    (#   4467:25   Unique)
 &rst
  ixpk= 4467, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HG2          11 LEU  HD21        5.00    (#   4468:25   Unique)
 &rst
  ixpk= 4468, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1112,1113,
 igr2= 179, 180, 181,
 &end
#
#   77 GLU  HB1          11 LEU  HD21        5.00    (#   4469:25   Unique)
 &rst
  ixpk= 4469, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1109,1110,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4470    11 LEU  HD21        5.00    (#   4470:25   Single Ambig)
 &rst
  ixpk= 4470, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 170,1069,1124,1125,
 igr2= 179, 180, 181,
 &end
#
#    0 AMB  25-2:4471     0 AMB  25-1:4471   2.70    (#   4471:25   Double Ambig)
 &rst
  ixpk= 4471, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1072,1073, 173, 879,
 igr2= 179, 180, 181, 888, 889, 890,
 &end
#
#   62 LEU  HN           62 LEU  HD21        5.00    (#   4475:25   Unique)
 &rst
  ixpk= 4475, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   55 HIS  HD2          62 LEU  HD21        5.00    (#   4476:25   Unique)
 &rst
  ixpk= 4476, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HA           62 LEU  HD21        3.30    (#   4478:25   Unique)
 &rst
  ixpk= 4478, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4479    62 LEU  HD21        5.00    (#   4479:25   Single Ambig)
 &rst
  ixpk= 4479, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 915, 436,
 igr2= 888, 889, 890,
 &end
#
#   32 PRO  HD1          62 LEU  HD21        5.00    (#   4480:25   Unique)
 &rst
  ixpk= 4480, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 445, 446,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4481    62 LEU  HD21        5.00    (#   4481:25   Single Ambig)
 &rst
  ixpk= 4481, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 783, 784,
 igr2= 888, 889, 890,
 &end
#
#   56 CYS  HB1          62 LEU  HD21        5.00    (#   4482:25   Unique)
 &rst
  ixpk= 4482, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 888, 889, 890,
 &end
#
#   62 LEU  HG           62 LEU  HD21        3.30    (#   4483:25   Unique)
 &rst
  ixpk= 4483, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:4558    26 THR  HB          5.00    (#   4558:25   Single Ambig)
 &rst
  ixpk= 4558, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 358, 315,
 &end
#
#   27 GLN  HN           26 THR  HB          5.00    (#   4560:25   Unique)
 &rst
  ixpk= 4560, iat= 372, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 THR  HA           26 THR  HB          3.30    (#   4561:25   Unique)
 &rst
  ixpk= 4561, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:4563    26 THR  HB          2.70    (#   4563:25   Single Ambig)
 &rst
  ixpk= 4563, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 364, 365, 366, 309, 310, 311,
 &end
#
#   16 VAL  HN           16 VAL  MG2         5.00    (#   4568:25   Unique)
 &rst
  ixpk= 4568, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   17 CYS  HN           16 VAL  MG2         5.00    (#   4569:25   Unique)
 &rst
  ixpk= 4569, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HA           16 VAL  MG2         6.00    (#   4570:25   Unique)
 &rst
  ixpk= 4570, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 247, 248, 249,
 &end
#
#   16 VAL  HA           16 VAL  MG2         3.30    (#   4571:25   Unique)
 &rst
  ixpk= 4571, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4572    16 VAL  MG2         5.00    (#   4572:25   Single Ambig)
 &rst
  ixpk= 4572, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 998, 999, 966,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4573    16 VAL  MG2         2.70    (#   4573:25   Single Ambig)
 &rst
  ixpk= 4573, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 995, 996, 241,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4574    16 VAL  MG2         3.30    (#   4574:25   Single Ambig)
 &rst
  ixpk= 4574, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 995, 996, 990,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG1          16 VAL  MG2         5.00    (#   4575:25   Unique)
 &rst
  ixpk= 4575, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#   69 LYS  HG2          16 VAL  MG2         5.00    (#   4576:25   Unique)
 &rst
  ixpk= 4576, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 247, 248, 249,
 &end
#
#    0 AMB  25-2:4660    33 THR  HG21        5.00    (#   4660:25   Single Ambig)
 &rst
  ixpk= 4660, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 541,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HG21        5.00    (#   4661:25   Unique)
 &rst
  ixpk= 4661, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4662    33 THR  HG21        5.00    (#   4662:25   Single Ambig)
 &rst
  ixpk= 4662, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 472, 482,
 igr2= 464, 465, 466,
 &end
#
#   33 THR  HB           33 THR  HG21        3.30    (#   4666:25   Unique)
 &rst
  ixpk= 4666, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4667    33 THR  HG21        2.70    (#   4667:25   Single Ambig)
 &rst
  ixpk= 4667, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 460, 766, 767,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4668    33 THR  HG21        5.00    (#   4668:25   Single Ambig)
 &rst
  ixpk= 4668, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 766, 767, 445, 446,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB1          33 THR  HG21        5.00    (#   4669:25   Unique)
 &rst
  ixpk= 4669, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 783, 784,
 igr2= 464, 465, 466,
 &end
#
#   55 HIS  HB2          33 THR  HG21        5.00    (#   4670:25   Unique)
 &rst
  ixpk= 4670, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4671    33 THR  HG21        5.00    (#   4671:25   Single Ambig)
 &rst
  ixpk= 4671, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 448, 449, 759,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  25-2:4672    33 THR  HG21        5.00    (#   4672:25   Single Ambig)
 &rst
  ixpk= 4672, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 769, 770, 438,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG1          33 THR  HG21        3.30    (#   4678:25   Unique)
 &rst
  ixpk= 4678, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 547, 548, 549,
 igr2= 464, 465, 466,
 &end
#
#   40 VAL  MG2          33 THR  HG21        5.00    (#   4679:25   Unique)
 &rst
  ixpk= 4679, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 464, 465, 466,
 &end
#
#   16 VAL  HN           16 VAL  MG1         5.00    (#   4933:25   Unique)
 &rst
  ixpk= 4933, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   17 CYS  HN           16 VAL  MG1         5.00    (#   4934:25   Unique)
 &rst
  ixpk= 4934, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#   23 LYS  HA           16 VAL  MG1         5.00    (#   4935:25   Unique)
 &rst
  ixpk= 4935, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4936     0 AMB  25-1:4936   2.70    (#   4936:25   Double Ambig)
 &rst
  ixpk= 4936, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 239, 338, 339, 766, 767,
 igr2= 243, 244, 245, 547, 548, 549,
 &end
#
#    0 AMB  25-2:4937    16 VAL  MG1         3.30    (#   4937:25   Single Ambig)
 &rst
  ixpk= 4937, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 338, 339, 258,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4939    16 VAL  MG1         6.00    (#   4939:25   Single Ambig)
 &rst
  ixpk= 4939, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 257, 230,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4940    16 VAL  MG1         2.70    (#   4940:25   Single Ambig)
 &rst
  ixpk= 4940, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 241, 344, 345,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4941    16 VAL  MG1         5.00    (#   4941:25   Single Ambig)
 &rst
  ixpk= 4941, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 995, 996, 990,
 igr2= 243, 244, 245,
 &end
#
#   40 VAL  HN           40 VAL  MG1         5.00    (#   4942:25   Unique)
 &rst
  ixpk= 4942, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   41 GLN  HN           40 VAL  MG1         5.00    (#   4943:25   Unique)
 &rst
  ixpk= 4943, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:4945    40 VAL  MG1         5.00    (#   4945:25   Single Ambig)
 &rst
  ixpk= 4945, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 524, 823,
 igr2= 547, 548, 549,
 &end
#
#   39 GLN  HA           40 VAL  MG1         5.00    (#   4946:25   Unique)
 &rst
  ixpk= 4946, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   34 CYS  HA           40 VAL  MG1         5.00    (#   4947:25   Unique)
 &rst
  ixpk= 4947, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   40 VAL  HA           40 VAL  MG1         5.00    (#   4948:25   Unique)
 &rst
  ixpk= 4948, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   53 CYS  HA           40 VAL  MG1         5.00    (#   4949:25   Unique)
 &rst
  ixpk= 4949, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:4950    40 VAL  MG1         3.30    (#   4950:25   Single Ambig)
 &rst
  ixpk= 4950, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 766, 767, 460,
 igr2= 547, 548, 549,
 &end
#
#   24 PRO  HB1          16 VAL  MG1         5.00    (#   4951:25   Unique)
 &rst
  ixpk= 4951, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 344, 345,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  25-2:4952     0 AMB  25-1:4952   2.70    (#   4952:25   Double Ambig)
 &rst
  ixpk= 4952, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 759, 341, 342, 545,
 igr2= 547, 548, 549, 243, 244, 245,
 &end
#
#   69 LYS  HG1          16 VAL  MG1         5.00    (#   4953:25   Unique)
 &rst
  ixpk= 4953, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 992, 993,
 igr2= 243, 244, 245,
 &end
#
#   34 CYS  HB3          40 VAL  MG1         5.00    (#   5018:25   Unique)
 &rst
  ixpk= 5018, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 547, 548, 549,
 &end
#
#   33 THR  HG21         40 VAL  MG1         5.00    (#   5019:25   Unique)
 &rst
  ixpk= 5019, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 547, 548, 549,
 &end
#
#    0 AMB  25-2:5104    76 VAL  MGX         5.00    (#   5104:25   Single Ambig)
 &rst
  ixpk= 5104, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 237,1105,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HN           76 VAL  MGX         5.00    (#   5105:25   Unique)
 &rst
  ixpk= 5105, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5106    76 VAL  MGX         5.00    (#   5106:25   Single Ambig)
 &rst
  ixpk= 5106, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1007,1017,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGX         5.00    (#   5107:25   Unique)
 &rst
  ixpk= 5107, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.30    (#   5108:25   Unique)
 &rst
  ixpk= 5108, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGX         5.00    (#   5109:25   Unique)
 &rst
  ixpk= 5109, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB3          76 VAL  MGX         5.00    (#   5111:25   Unique)
 &rst
  ixpk= 5111, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HB2          76 VAL  MGX         5.00    (#   5112:25   Unique)
 &rst
  ixpk= 5112, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           76 VAL  MGX         5.00    (#   5114:25   Unique)
 &rst
  ixpk= 5114, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   15 ASP  HN           76 VAL  MGX         5.00    (#   5115:25   Unique)
 &rst
  ixpk= 5115, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGX         5.00    (#   5118:25   Unique)
 &rst
  ixpk= 5118, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGX         5.00    (#   5119:25   Unique)
 &rst
  ixpk= 5119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5120    76 VAL  MGX         5.00    (#   5120:25   Single Ambig)
 &rst
  ixpk= 5120, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5121    76 VAL  MGX         5.00    (#   5121:25   Single Ambig)
 &rst
  ixpk= 5121, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1070,1072,1073,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGX         5.00    (#   5122:25   Unique)
 &rst
  ixpk= 5122, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:5203     0 AMB  25-1:5203   5.00    (#   5203:25   Double Ambig)
 &rst
  ixpk= 5203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  29, 156,
 &end
#
#   11 LEU  HN           10 THR  HB          5.00    (#   5204:25   Unique)
 &rst
  ixpk= 5204, iat= 166, 156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5206     0 AMB  25-1:5206   5.00    (#   5206:25   Double Ambig)
 &rst
  ixpk= 5206, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  43,  44,1124,1125, 145, 146,
 igr2=  29, 156,
 &end
#
#    0 AMB  25-2:5207    10 THR  HB          5.00    (#   5207:25   Single Ambig)
 &rst
  ixpk= 5207, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 170,1124,1125,
 &end
#
#    0 AMB  25-2:5208     0 AMB  25-1:5208   2.70    (#   5208:25   Double Ambig)
 &rst
  ixpk= 5208, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 156,  29,
 &end
#
#    0 AMB  25-2:5210    10 THR  HB          5.00    (#   5210:25   Single Ambig)
 &rst
  ixpk= 5210, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1107, 148,
 &end
#
#    0 AMB  25-2:5213     0 AMB  25-1:5213   5.00    (#   5213:25   Double Ambig)
 &rst
  ixpk= 5213, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 152,  39,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   11 LEU  HN           10 THR  HG21        5.00    (#   5214:25   Unique)
 &rst
  ixpk= 5214, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5215    10 THR  HG21        6.00    (#   5215:25   Single Ambig)
 &rst
  ixpk= 5215, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1107, 148,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5216     0 AMB  25-1:5216   3.30    (#   5216:25   Double Ambig)
 &rst
  ixpk= 5216, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 154,  27,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#    0 AMB  25-2:5217     0 AMB  25-1:5217   2.70    (#   5217:25   Double Ambig)
 &rst
  ixpk= 5217, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 156,  29,
 igr2= 158, 159, 160,  31,  32,  33,
 &end
#
#   78 ARG  HD1          10 THR  HG21        5.00    (#   5218:25   Unique)
 &rst
  ixpk= 5218, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1130,1131,
 igr2= 158, 159, 160,
 &end
#
#   12 GLU  HG1          10 THR  HG21        5.00    (#   5219:25   Unique)
 &rst
  ixpk= 5219, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 192, 193,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5220    10 THR  HG21        5.00    (#   5220:25   Single Ambig)
 &rst
  ixpk= 5220, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 123, 145, 146,
 igr2= 158, 159, 160,
 &end
#
#   11 LEU  HB2          10 THR  HG21        6.00    (#   5221:25   Unique)
 &rst
  ixpk= 5221, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 158, 159, 160,
 &end
#
#    0 AMB  25-2:5227     0 AMB  25-1:5227   5.00    (#   5227:25   Double Ambig)
 &rst
  ixpk= 5227, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 372, 741,
 igr2= 364, 365, 366, 747, 748, 749,
 &end
#
#   26 THR  HN           26 THR  HG21        5.00    (#   5228:25   Unique)
 &rst
  ixpk= 5228, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5229     0 AMB  25-1:5229   3.30    (#   5229:25   Double Ambig)
 &rst
  ixpk= 5229, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 823, 434, 935,
 igr2= 747, 748, 749, 426, 427, 428, 364, 365, 366,
 &end
#
#    0 AMB  25-2:5230     0 AMB  25-1:5230   5.00    (#   5230:25   Double Ambig)
 &rst
  ixpk= 5230, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 374, 863,
 igr2= 364, 365, 366, 426, 427, 428,
 &end
#
#   58 GLY  HA1          52 THR  HG21        2.70    (#   5232:25   Unique)
 &rst
  ixpk= 5232, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 825, 826,
 igr2= 747, 748, 749,
 &end
#
#   26 THR  HB           26 THR  HG21        2.70    (#   5233:25   Unique)
 &rst
  ixpk= 5233, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 364, 365, 366,
 &end
#
#   52 THR  HA           52 THR  HG21        3.30    (#   5234:25   Unique)
 &rst
  ixpk= 5234, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5235     0 AMB  25-1:5235   2.70    (#   5235:25   Double Ambig)
 &rst
  ixpk= 5235, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 424, 745,
 igr2= 426, 427, 428, 747, 748, 749,
 &end
#
#   23 LYS  HE1          26 THR  HG21        5.00    (#   5237:25   Unique)
 &rst
  ixpk= 5237, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 328, 329,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB2          26 THR  HG21        5.00    (#   5238:25   Unique)
 &rst
  ixpk= 5238, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#   65 ASP  HB3          26 THR  HG21        5.00    (#   5239:25   Unique)
 &rst
  ixpk= 5239, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5240    52 THR  HG21        5.00    (#   5240:25   Single Ambig)
 &rst
  ixpk= 5240, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 813, 814, 813, 814,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5241    52 THR  HG21        5.00    (#   5241:25   Single Ambig)
 &rst
  ixpk= 5241, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 759, 531, 532,
 igr2= 747, 748, 749,
 &end
#
#   59 ARG  HG1          52 THR  HG21        6.00    (#   5242:25   Unique)
 &rst
  ixpk= 5242, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 837, 838,
 igr2= 747, 748, 749,
 &end
#
#    0 AMB  25-2:5243    26 THR  HG21        3.30    (#   5243:25   Single Ambig)
 &rst
  ixpk= 5243, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 319, 320, 325, 326,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5244    26 THR  HG21        5.00    (#   5244:25   Single Ambig)
 &rst
  ixpk= 5244, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 920, 921, 322, 323,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  25-2:5250     0 AMB  25-1:5250   5.00    (#   5250:25   Double Ambig)
 &rst
  ixpk= 5250, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 830, 482, 472,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#   39 GLN  HA           52 THR  HG21        5.00    (#   5251:25   Unique)
 &rst
  ixpk= 5251, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 747, 748, 749,
 &end
#
#   35 HIS  HB3          30 THR  HG21        5.00    (#   5252:25   Unique)
 &rst
  ixpk= 5252, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-2:5253     0 AMB  25-1:5253   5.00    (#   5253:25   Double Ambig)
 &rst
  ixpk= 5253, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 760, 439,
 igr2= 747, 748, 749, 426, 427, 428,
 &end
#
#   64 LYS  HB-          26 THR  HG21        6.00    (#   5254:25   Unique)
 &rst
  ixpk= 5254, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 917, 918,
 igr2= 364, 365, 366,
 &end
#
#   40 VAL  MG2          52 THR  HG21        5.00    (#   5256:25   Unique)
 &rst
  ixpk= 5256, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 551, 552, 553,
 igr2= 747, 748, 749,
 &end
#
#   62 LEU  HN           61 THR  HG21        5.00    (#   5258:25   Unique)
 &rst
  ixpk= 5258, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   31 CYS  HN           61 THR  HG21        5.00    (#   5259:25   Unique)
 &rst
  ixpk= 5259, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HN           61 THR  HG21        5.00    (#   5260:25   Unique)
 &rst
  ixpk= 5260, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 867, 868, 869,
 &end
#
#   61 THR  HA           61 THR  HG21        3.30    (#   5261:25   Unique)
 &rst
  ixpk= 5261, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5264    61 THR  HG21        5.00    (#   5264:25   Single Ambig)
 &rst
  ixpk= 5264, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 867, 868, 869,
 &end
#
#   60 GLY  HA1          61 THR  HG21        5.00    (#   5265:25   Unique)
 &rst
  ixpk= 5265, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 856, 857,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5266    61 THR  HG21        3.30    (#   5266:25   Single Ambig)
 &rst
  ixpk= 5266, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 422, 865,
 igr2= 867, 868, 869,
 &end
#
#   28 PRO  HG2          61 THR  HG21        3.30    (#   5268:25   Unique)
 &rst
  ixpk= 5268, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5269    61 THR  HG21        5.00    (#   5269:25   Single Ambig)
 &rst
  ixpk= 5269, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 396, 397, 393, 394,
 igr2= 867, 868, 869,
 &end
#
#    0 AMB  25-2:5586    49 VAL  MG1         5.00    (#   5586:25   Single Ambig)
 &rst
  ixpk= 5586, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 691, 707,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5588    49 VAL  MG1         5.00    (#   5588:25   Single Ambig)
 &rst
  ixpk= 5588, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 697, 698, 699,
 &end
#
#   49 VAL  HA           49 VAL  MG1         3.30    (#   5589:25   Unique)
 &rst
  ixpk= 5589, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 697, 698, 699,
 &end
#
#   41 GLN  HG1          49 VAL  MG1         5.00    (#   5591:25   Unique)
 &rst
  ixpk= 5591, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5592    49 VAL  MG1         3.30    (#   5592:25   Single Ambig)
 &rst
  ixpk= 5592, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 578, 579, 695, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5593    49 VAL  MG1         5.00    (#   5593:25   Single Ambig)
 &rst
  ixpk= 5593, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 697, 698, 699,
 &end
#
#    0 AMB  25-2:5594    49 VAL  MG1         5.00    (#   5594:25   Single Ambig)
 &rst
  ixpk= 5594, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 578, 579, 597, 598, 714, 715,
 igr2= 697, 698, 699,
 &end
#
#   52 THR  HN           52 THR  HB          5.00    (#   5725:25   Unique)
 &rst
  ixpk= 5725, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HB          5.00    (#   5726:25   Unique)
 &rst
  ixpk= 5726, iat= 755, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5729    52 THR  HB          5.00    (#   5729:25   Single Ambig)
 &rst
  ixpk= 5729, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 731, 732, 772, 773,
 &end
#
#   32 PRO  HB2          30 THR  HB          5.00    (#   5730:25   Unique)
 &rst
  ixpk= 5730, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 451, 452,
 &end
#
#   30 THR  HN           30 THR  HB          5.00    (#   5825:25   Unique)
 &rst
  ixpk= 5825, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:5826     0 AMB  25-1:5826   5.00    (#   5826:25   Double Ambig)
 &rst
  ixpk= 5826, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 823,
 igr2= 424, 745,
 &end
#
#    0 AMB  25-2:5828    30 THR  HB          5.00    (#   5828:25   Single Ambig)
 &rst
  ixpk= 5828, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 501, 502, 405,
 &end
#
#    0 AMB  25-2:5830     0 AMB  25-1:5830   5.00    (#   5830:25   Double Ambig)
 &rst
  ixpk= 5830, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 825, 826, 501, 502, 775,
 igr2= 745, 424,
 &end
#
#    0 AMB  25-2:5832     0 AMB  25-1:5832   2.70    (#   5832:25   Double Ambig)
 &rst
  ixpk= 5832, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 426, 427, 428, 747, 748, 749,
 igr2= 424, 745,
 &end
#
#   23 LYS  HN           22 ALA  HB1         5.00    (#   5918:25   Unique)
 &rst
  ixpk= 5918, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HN           22 ALA  HB1         3.30    (#   5919:25   Unique)
 &rst
  ixpk= 5919, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#   22 ALA  HA           22 ALA  HB1         3.30    (#   5920:25   Unique)
 &rst
  ixpk= 5920, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5921    22 ALA  HB1         6.00    (#   5921:25   Single Ambig)
 &rst
  ixpk= 5921, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 362, 289,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5922    22 ALA  HB1         5.00    (#   5922:25   Single Ambig)
 &rst
  ixpk= 5922, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896, 292,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HD1          22 ALA  HB1         5.00    (#   5923:25   Unique)
 &rst
  ixpk= 5923, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 390, 391,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG11         22 ALA  HB1         5.00    (#   5924:25   Unique)
 &rst
  ixpk= 5924, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 904, 905,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HD11         22 ALA  HB1         5.00    (#   5926:25   Unique)
 &rst
  ixpk= 5926, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 igr2= 309, 310, 311,
 &end
#
#   63 ILE  HG21         22 ALA  HB1         5.00    (#   5927:25   Unique)
 &rst
  ixpk= 5927, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 900, 901, 902,
 igr2= 309, 310, 311,
 &end
#
#   27 GLN  HA           22 ALA  HB1         5.00    (#   5929:25   Unique)
 &rst
  ixpk= 5929, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5931    22 ALA  HB1         5.00    (#   5931:25   Single Ambig)
 &rst
  ixpk= 5931, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 291, 300, 301,
 igr2= 309, 310, 311,
 &end
#
#   28 PRO  HG2          22 ALA  HB1         5.00    (#   5933:25   Unique)
 &rst
  ixpk= 5933, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:5934    22 ALA  HB1         5.00    (#   5934:25   Single Ambig)
 &rst
  ixpk= 5934, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 393, 394, 917, 918,
 igr2= 309, 310, 311,
 &end
#
#    0 AMB  25-2:6081    49 VAL  MG2         5.00    (#   6081:25   Single Ambig)
 &rst
  ixpk= 6081, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 691,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HA           49 VAL  MG2         5.00    (#   6083:25   Unique)
 &rst
  ixpk= 6083, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6085    49 VAL  MG2         5.00    (#   6085:25   Single Ambig)
 &rst
  ixpk= 6085, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6087    49 VAL  MG2         5.00    (#   6087:25   Single Ambig)
 &rst
  ixpk= 6087, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 714, 715, 578, 579,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6090    49 VAL  MG2         5.00    (#   6090:25   Single Ambig)
 &rst
  ixpk= 6090, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 683, 559,
 igr2= 701, 702, 703,
 &end
#
#   48 ALA  HB1          49 VAL  MG2         5.00    (#   6091:25   Unique)
 &rst
  ixpk= 6091, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 685, 686, 687,
 igr2= 701, 702, 703,
 &end
#
#   49 VAL  HN           48 ALA  HB1         5.00    (#   6196:25   Unique)
 &rst
  ixpk= 6196, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#   48 ALA  HN           48 ALA  HB1         5.00    (#   6197:25   Unique)
 &rst
  ixpk= 6197, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6199    48 ALA  HB1         3.30    (#   6199:25   Single Ambig)
 &rst
  ixpk= 6199, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 683, 559,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HA           48 ALA  HB1         5.00    (#   6200:25   Unique)
 &rst
  ixpk= 6200, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6201    48 ALA  HB1         5.00    (#   6201:25   Single Ambig)
 &rst
  ixpk= 6201, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 619, 643, 693,
 igr2= 685, 686, 687,
 &end
#
#   43 ARG  HD1          48 ALA  HB1         5.00    (#   6202:25   Unique)
 &rst
  ixpk= 6202, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 603, 604,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6203    48 ALA  HB1         5.00    (#   6203:25   Single Ambig)
 &rst
  ixpk= 6203, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 624, 625, 564, 565,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6204    48 ALA  HB1         5.00    (#   6204:25   Single Ambig)
 &rst
  ixpk= 6204, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 561, 562, 711, 712,
 igr2= 685, 686, 687,
 &end
#
#    0 AMB  25-2:6205    48 ALA  HB1         5.00    (#   6205:25   Single Ambig)
 &rst
  ixpk= 6205, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 714, 715, 597, 598, 578, 579,
 igr2= 685, 686, 687,
 &end
#
#   42 MET  HN           49 VAL  MG2         5.00    (#   6216:25   Unique)
 &rst
  ixpk= 6216, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
#    0 AMB  25-2:6217    49 VAL  MG2         3.30    (#   6217:25   Single Ambig)
 &rst
  ixpk= 6217, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 714, 715, 578, 579, 711, 712,
 igr2= 701, 702, 703,
 &end
#
#   76 VAL  HN           76 VAL  MGY         5.00    (#   6504:25   Unique)
 &rst
  ixpk= 6504, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   12 GLU  HN           76 VAL  MGY         5.00    (#   6505:25   Unique)
 &rst
  ixpk= 6505, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6506    76 VAL  MGY         5.00    (#   6506:25   Single Ambig)
 &rst
  ixpk= 6506, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1105, 237,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   15 ASP  HN           76 VAL  MGY         5.00    (#   6507:25   Unique)
 &rst
  ixpk= 6507, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   75 ARG  HA           76 VAL  MGY         6.00    (#   6509:25   Unique)
 &rst
  ixpk= 6509, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   70 CYS  HA           76 VAL  MGY         6.00    (#   6510:25   Unique)
 &rst
  ixpk= 6510, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6511    76 VAL  MGY         5.00    (#   6511:25   Single Ambig)
 &rst
  ixpk= 6511, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1091,1107,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   14 CYS  HA           76 VAL  MGY         5.00    (#   6512:25   Unique)
 &rst
  ixpk= 6512, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6513    76 VAL  MGY         5.00    (#   6513:25   Single Ambig)
 &rst
  ixpk= 6513, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1130,1131,1012,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6514    76 VAL  MGY         5.00    (#   6514:25   Single Ambig)
 &rst
  ixpk= 6514, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 220,1075,1076,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HE1          76 VAL  MGY         5.00    (#   6515:25   Unique)
 &rst
  ixpk= 6515, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 998, 999,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6517    76 VAL  MGY         3.30    (#   6517:25   Single Ambig)
 &rst
  ixpk= 6517, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1093, 192, 193,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6518    76 VAL  MGY         3.30    (#   6518:25   Single Ambig)
 &rst
  ixpk= 6518, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 189, 190,1109,1110,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   12 GLU  HB2          76 VAL  MGY         5.00    (#   6519:25   Unique)
 &rst
  ixpk= 6519, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 189, 190,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:6520    76 VAL  MGY         5.00    (#   6520:25   Single Ambig)
 &rst
  ixpk= 6520, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 995, 996, 990,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG1          76 VAL  MGY         5.00    (#   6521:25   Unique)
 &rst
  ixpk= 6521, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   69 LYS  HG2          76 VAL  MGY         5.00    (#   6522:25   Unique)
 &rst
  ixpk= 6522, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 992, 993,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   33 THR  HN           33 THR  HB          5.00    (#   6637:25   Unique)
 &rst
  ixpk= 6637, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          33 THR  HB          5.00    (#   6640:25   Unique)
 &rst
  ixpk= 6640, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   33 THR  HG21         33 THR  HB          5.00    (#   6641:25   Unique)
 &rst
  ixpk= 6641, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   34 CYS  HN           33 THR  HB          5.00    (#   6642:25   Unique)
 &rst
  ixpk= 6642, iat= 472, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:6891    40 VAL  MG2         3.30    (#   6891:25   Single Ambig)
 &rst
  ixpk= 6891, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 541, 724,
 igr2= 551, 552, 553,
 &end
#
#   41 GLN  HN           40 VAL  MG2         5.00    (#   6892:25   Unique)
 &rst
  ixpk= 6892, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   39 GLN  HA           40 VAL  MG2         5.00    (#   6893:25   Unique)
 &rst
  ixpk= 6893, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6894    40 VAL  MG2         5.00    (#   6894:25   Single Ambig)
 &rst
  ixpk= 6894, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 559, 726,
 igr2= 551, 552, 553,
 &end
#
#   40 VAL  HA           40 VAL  MG2         5.00    (#   6895:25   Unique)
 &rst
  ixpk= 6895, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   53 CYS  HA           40 VAL  MG2         5.00    (#   6896:25   Unique)
 &rst
  ixpk= 6896, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD1          40 VAL  MG2         3.30    (#   6897:25   Unique)
 &rst
  ixpk= 6897, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#   54 PRO  HD2          40 VAL  MG2         3.30    (#   6898:25   Unique)
 &rst
  ixpk= 6898, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 766, 767,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6899    40 VAL  MG2         5.00    (#   6899:25   Single Ambig)
 &rst
  ixpk= 6899, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6900    40 VAL  MG2         5.00    (#   6900:25   Single Ambig)
 &rst
  ixpk= 6900, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 731, 732, 772, 773,
 igr2= 551, 552, 553,
 &end
#
#    0 AMB  25-2:6901    40 VAL  MG2         2.70    (#   6901:25   Single Ambig)
 &rst
  ixpk= 6901, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 545, 759, 531, 532,
 igr2= 551, 552, 553,
 &end
#
#   50 GLN  HG2          40 VAL  MG2         5.00    (#   6902:25   Unique)
 &rst
  ixpk= 6902, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 715,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         40 VAL  MG2         5.00    (#   6903:25   Unique)
 &rst
  ixpk= 6903, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 465, 466,
 igr2= 551, 552, 553,
 &end
#
#   33 THR  HG21         33 THR  HA          5.00    (#   7203:25   Unique)
 &rst
  ixpk= 7203, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   33 THR  HN           33 THR  HA          5.00    (#   7204:25   Unique)
 &rst
  ixpk= 7204, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:7205    33 THR  HA          5.00    (#   7205:25   Single Ambig)
 &rst
  ixpk= 7205, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 472, 482,
 &end
#
#   65 ASP  HN           63 ILE  HG21        5.00    (#   7551:25   Unique)
 &rst
  ixpk= 7551, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7552    63 ILE  HG21        5.00    (#   7552:25   Single Ambig)
 &rst
  ixpk= 7552, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 961, 305,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7554    63 ILE  HG21        3.30    (#   7554:25   Single Ambig)
 &rst
  ixpk= 7554, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 957, 307,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HA           63 ILE  HG21        5.00    (#   7555:25   Unique)
 &rst
  ixpk= 7555, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7558    63 ILE  HG21        5.00    (#   7558:25   Single Ambig)
 &rst
  ixpk= 7558, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 954, 955, 951, 952,
 igr2= 900, 901, 902,
 &end
#
#   63 ILE  HB           63 ILE  HG21        3.30    (#   7559:25   Unique)
 &rst
  ixpk= 7559, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 900, 901, 902,
 &end
#
#    0 AMB  25-2:7563    63 ILE  HG21        6.00    (#   7563:25   Single Ambig)
 &rst
  ixpk= 7563, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 894, 403,
 igr2= 900, 901, 902,
 &end
#
#   22 ALA  HB1          63 ILE  HG21        5.00    (#   7565:25   Unique)
 &rst
  ixpk= 7565, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 309, 310, 311,
 igr2= 900, 901, 902,
 &end
#
#    6 ILE  HA            6 ILE  HG21        5.00    (#   7650:25   Unique)
 &rst
  ixpk= 7650, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  25-2:7651     6 ILE  HG21        3.30    (#   7651:25   Single Ambig)
 &rst
  ixpk= 7651, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  80,  43,  44,
 igr2=  82,  83,  84,
 &end
#
#    0 AMB  25-2:7851    42 MET  HE1         5.00    (#   7851:25   Single Ambig)
 &rst
  ixpk= 7851, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 581, 582, 581, 582,
 igr2= 587, 588, 589,
 &end
#
#    8 ILE  HA            8 ILE  HG21        5.00    (#   7874:25   Unique)
 &rst
  ixpk= 7874, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 125, 126, 127,
 &end
#
#    9 PRO  HD1           8 ILE  HG21        5.00    (#   7875:25   Unique)
 &rst
  ixpk= 7875, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    9 PRO  HD2           8 ILE  HG21        5.00    (#   7876:25   Unique)
 &rst
  ixpk= 7876, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 139, 140,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  25-2:7877     8 ILE  HG21        2.70    (#   7877:25   Single Ambig)
 &rst
  ixpk= 7877, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 123,  80,
 igr2= 125, 126, 127,
 &end
#
#    5 GLU  HB1           6 ILE  HG21        5.00    (#   7883:25   Unique)
 &rst
  ixpk= 7883, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  65,  66,
 igr2=  82,  83,  84,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   8021:25   Unique)
 &rst
  ixpk= 8021, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8022    16 VAL  HA          5.00    (#   8022:25   Single Ambig)
 &rst
  ixpk= 8022, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 253, 263,
 &end
#
#   16 VAL  HB           16 VAL  HA          3.30    (#   8023:25   Unique)
 &rst
  ixpk= 8023, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:8024    16 VAL  HA          5.00    (#   8024:25   Single Ambig)
 &rst
  ixpk= 8024, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 995, 996, 990,
 &end
#
#    0 AMB  25-2:8025    16 VAL  HA          2.70    (#   8025:25   Single Ambig)
 &rst
  ixpk= 8025, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 247, 248, 249, 243, 244, 245,
 &end
#
#   62 LEU  HN           30 THR  HA          5.00    (#   8109:25   Unique)
 &rst
  ixpk= 8109, iat= 875, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HA           30 THR  HA          5.00    (#   8110:25   Unique)
 &rst
  ixpk= 8110, iat= 863, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         30 THR  HA          5.00    (#   8114:25   Unique)
 &rst
  ixpk= 8114, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   61 THR  HG21         30 THR  HA          3.30    (#   8115:25   Unique)
 &rst
  ixpk= 8115, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   79 SER  HN           79 SER  HB1         5.00    (#   8116:25   Unique)
 &rst
  ixpk= 8116, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1148,1149,
 &end
#
#    0 AMB  25-2:8118     0 AMB  25-1:8118   5.00    (#   8118:25   Double Ambig)
 &rst
  ixpk= 8118, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#    0 AMB  25-2:8119     0 AMB  25-1:8119   5.00    (#   8119:25   Double Ambig)
 &rst
  ixpk= 8119, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122, 347,
 igr2=1148,1149, 239,
 &end
#
#   79 SER  HA           79 SER  HB1         3.30    (#   8120:25   Unique)
 &rst
  ixpk= 8120, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1148,1149,
 &end
#
#    0 AMB  25-2:8121    30 THR  HA          5.00    (#   8121:25   Single Ambig)
 &rst
  ixpk= 8121, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 436, 856, 857,
 &end
#
#   20 SER  HN           20 SER  HB3         3.30    (#   8232:25   Unique)
 &rst
  ixpk= 8232, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   20 SER  HN           20 SER  HB2         5.00    (#   8235:25   Unique)
 &rst
  ixpk= 8235, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8239    30 THR  HA          6.00    (#   8239:25   Single Ambig)
 &rst
  ixpk= 8239, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 501, 502, 405,
 &end
#
#   24 PRO  HD1          24 PRO  HA          5.00    (#   8307:25   Unique)
 &rst
  ixpk= 8307, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 338, 339,
 &end
#
#   24 PRO  HB1          24 PRO  HA          3.30    (#   8309:25   Unique)
 &rst
  ixpk= 8309, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   24 PRO  HB2          24 PRO  HA          3.30    (#   8310:25   Unique)
 &rst
  ixpk= 8310, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 344, 345,
 &end
#
#   40 VAL  HN           52 THR  HA          5.00    (#   8366:25   Unique)
 &rst
  ixpk= 8366, iat= 541, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 THR  HN           52 THR  HA          5.00    (#   8367:25   Unique)
 &rst
  ixpk= 8367, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 CYS  HN           52 THR  HA          5.00    (#   8368:25   Unique)
 &rst
  ixpk= 8368, iat= 755, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLN  HA           52 THR  HA          3.30    (#   8369:25   Unique)
 &rst
  ixpk= 8369, iat= 526, 743, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  25-2:8372     0 AMB  25-1:8372   5.00    (#   8372:25   Double Ambig)
 &rst
  ixpk= 8372, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 219, 531, 532, 207, 208,
 igr2= 291, 743,
 &end
#
#    0 AMB  25-2:8373     0 AMB  25-1:8373   5.00    (#   8373:25   Double Ambig)
 &rst
  ixpk= 8373, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end
#
#    0 AMB  25-2:8376     0 AMB  25-1:8376   5.00    (#   8376:25   Double Ambig)
 &rst
  ixpk= 8376, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 825, 826, 282, 283, 307,
 igr2= 743, 291,
 &end
#
#   55 HIS  HN           54 PRO  HA          5.00    (#   8599:25   Unique)
 &rst
  ixpk= 8599, iat= 779, 775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 GLN  HN           54 PRO  HA          6.00    (#   8600:25   Unique)
 &rst
  ixpk= 8600, iat= 806, 775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 THR  HN           32 PRO  HA          5.00    (#   8601:25   Unique)
 &rst
  ixpk= 8601, iat= 458, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:8604    32 PRO  HA          5.00    (#   8604:25   Single Ambig)
 &rst
  ixpk= 8604, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 424,
 &end
#
#   32 PRO  HB1          32 PRO  HA          2.70    (#   8605:25   Unique)
 &rst
  ixpk= 8605, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 451, 452,
 &end
#
#   32 PRO  HB2          32 PRO  HA          2.70    (#   8606:25   Unique)
 &rst
  ixpk= 8606, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 451, 452,
 &end
#
#    0 AMB  25-2:8608    32 PRO  HA          5.00    (#   8608:25   Single Ambig)
 &rst
  ixpk= 8608, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 482, 472,
 &end
#
#   30 THR  HG21         32 PRO  HA          6.00    (#   8609:25   Unique)
 &rst
  ixpk= 8609, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 426, 427, 428,
 &end
#
#   54 PRO  HD2          54 PRO  HA          5.00    (#   8687:25   Unique)
 &rst
  ixpk= 8687, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   54 PRO  HB1          54 PRO  HA          2.70    (#   8688:25   Unique)
 &rst
  ixpk= 8688, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 772, 773,
 &end
#
#    0 AMB  25-2:8689     0 AMB  25-1:8689   2.70    (#   8689:25   Double Ambig)
 &rst
  ixpk= 8689, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 772, 773, 142, 143,
 igr2= 775, 148,
 &end
#
#    9 PRO  HB2           9 PRO  HA          3.30    (#   8690:25   Unique)
 &rst
  ixpk= 8690, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 145, 146,
 &end
#
#    0 AMB  25-2:8691     9 PRO  HA          6.00    (#   8691:25   Single Ambig)
 &rst
  ixpk= 8691, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 158, 159, 160, 171,
 &end
#
#   54 PRO  HD1          54 PRO  HA          5.00    (#   8694:25   Unique)
 &rst
  ixpk= 8694, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 766, 767,
 &end
#
#   10 THR  HN            9 PRO  HA          3.30    (#   8771:25   Unique)
 &rst
  ixpk= 8771, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 GLN  HN           28 PRO  HA          5.00    (#   8912:25   Unique)
 &rst
  ixpk= 8912, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           28 PRO  HA          5.00    (#   8916:25   Unique)
 &rst
  ixpk= 8916, iat= 896, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 THR  HB           28 PRO  HA          5.00    (#   8917:25   Unique)
 &rst
  ixpk= 8917, iat= 865, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HD1          28 PRO  HA          5.00    (#   8918:25   Unique)
 &rst
  ixpk= 8918, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 390, 391,
 &end
#
#    0 AMB  25-2:8920    28 PRO  HA          5.00    (#   8920:25   Single Ambig)
 &rst
  ixpk= 8920, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 393, 394, 408,
 &end
#
#    0 AMB  25-2:8921    28 PRO  HA          3.30    (#   8921:25   Single Ambig)
 &rst
  ixpk= 8921, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 396, 397, 393, 394, 917, 918,
 &end
#
#   61 THR  HG21         28 PRO  HA          5.00    (#   8924:25   Unique)
 &rst
  ixpk= 8924, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 869,
 &end
#
#   63 ILE  HD11         28 PRO  HA          5.00    (#   8925:25   Unique)
 &rst
  ixpk= 8925, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#    0 AMB  25-2:8926    28 PRO  HA          5.00    (#   8926:25   Single Ambig)
 &rst
  ixpk= 8926, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 900, 901, 902, 888, 889, 890,
 &end
#
#   66 PRO  HD2          66 PRO  HA          6.00    (#   9167:25   Unique)
 &rst
  ixpk= 9167, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 948, 949,
 &end
#
#   66 PRO  HG2          66 PRO  HA          5.00    (#   9168:25   Unique)
 &rst
  ixpk= 9168, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 951, 952,
 &end
#
#    2 VAL  HB            2 VAL  HA          5.00    (#   9172:25   Unique)
 &rst
  ixpk= 9172, iat=  13,  11, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9173     2 VAL  HA          5.00    (#   9173:25   Single Ambig)
 &rst
  ixpk= 9173, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,  19,  20,  21,  15,  16,  17,  19,
        20,  21,
 &end
#
#    0 AMB  25-2:9250    66 PRO  HA          5.00    (#   9250:25   Single Ambig)
 &rst
  ixpk= 9250, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 948, 949, 963,
 &end
#
#   67 CYS  HB3          66 PRO  HA          5.00    (#   9251:25   Unique)
 &rst
  ixpk= 9251, iat= 966, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HD11         66 PRO  HA          5.00    (#   9254:25   Unique)
 &rst
  ixpk= 9254, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   23 LYS  HN           66 PRO  HA          5.00    (#   9255:25   Unique)
 &rst
  ixpk= 9255, iat= 315, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           66 PRO  HA          5.00    (#   9256:25   Unique)
 &rst
  ixpk= 9256, iat= 961, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE  HA           66 PRO  HA          5.00    (#   9258:25   Unique)
 &rst
  ixpk= 9258, iat= 896, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9259    66 PRO  HA          3.30    (#   9259:25   Single Ambig)
 &rst
  ixpk= 9259, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 954, 955, 951, 952,
 &end
#
#   66 PRO  HB2          66 PRO  HA          3.30    (#   9260:25   Unique)
 &rst
  ixpk= 9260, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 954, 955,
 &end
#
#   63 ILE  HG21         66 PRO  HA          5.00    (#   9261:25   Unique)
 &rst
  ixpk= 9261, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#    0 AMB  25-2:9325     0 AMB  25-1:9325   5.00    (#   9325:25   Double Ambig)
 &rst
  ixpk= 9325, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1112,1113,
 &end
#
#    0 AMB  25-2:9326    10 THR  HA          5.00    (#   9326:25   Single Ambig)
 &rst
  ixpk= 9326, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128, 173,
 &end
#
#    0 AMB  25-2:9327     0 AMB  25-1:9327   5.00    (#   9327:25   Double Ambig)
 &rst
  ixpk= 9327, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  39, 152,
 igr2=  27, 154,
 &end
#
#    0 AMB  25-2:9334     0 AMB  25-1:9334   5.00    (#   9334:25   Double Ambig)
 &rst
  ixpk= 9334, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 170,1124,1125,  49,  50,
 igr2= 154,  27,
 &end
#
#    0 AMB  25-2:9335     0 AMB  25-1:9335   3.30    (#   9335:25   Double Ambig)
 &rst
  ixpk= 9335, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 158, 159, 160,  31,  32,  33,
 igr2= 154,  27,
 &end
#
#    0 AMB  25-2:9521    63 ILE  HD11        5.00    (#   9521:25   Single Ambig)
 &rst
  ixpk= 9521, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 399, 877,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9522    63 ILE  HD11        5.00    (#   9522:25   Single Ambig)
 &rst
  ixpk= 9522, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 307, 957,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HA           63 ILE  HD11        5.00    (#   9523:25   Unique)
 &rst
  ixpk= 9523, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9524    63 ILE  HD11        5.00    (#   9524:25   Single Ambig)
 &rst
  ixpk= 9524, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 291,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9525    63 ILE  HD11        5.00    (#   9525:25   Single Ambig)
 &rst
  ixpk= 9525, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 300, 301, 800,
 igr2= 907, 908, 909,
 &end
#
#   28 PRO  HG2          63 ILE  HD11        5.00    (#   9526:25   Unique)
 &rst
  ixpk= 9526, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 393, 394,
 igr2= 907, 908, 909,
 &end
#
#    0 AMB  25-2:9527    63 ILE  HD11        5.00    (#   9527:25   Single Ambig)
 &rst
  ixpk= 9527, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 403,
 igr2= 907, 908, 909,
 &end
#
#   63 ILE  HB           63 ILE  HD11        3.30    (#   9528:25   Unique)
 &rst
  ixpk= 9528, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 907, 908, 909,
 &end
#
#   14 CYS  HB3          14 CYS  HA          5.00    (#   9607:25   Unique)
 &rst
  ixpk= 9607, iat= 220, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          14 CYS  HA          3.30    (#   9608:25   Unique)
 &rst
  ixpk= 9608, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   76 VAL  MGY          14 CYS  HA          3.30    (#   9609:25   Unique)
 &rst
  ixpk= 9609, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  25-2:9610    14 CYS  HA          5.00    (#   9610:25   Single Ambig)
 &rst
  ixpk= 9610, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 237, 200,
 &end
#
#   15 ASP  HN           14 CYS  HA          3.30    (#   9611:25   Unique)
 &rst
  ixpk= 9611, iat= 225, 217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   14 CYS  HN           14 CYS  HA          5.00    (#   9612:25   Unique)
 &rst
  ixpk= 9612, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 ARG  HN            6 ILE  HA          3.30    (#   9691:25   Unique)
 &rst
  ixpk= 9691, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    6 ILE  HN            6 ILE  HA          5.00    (#   9692:25   Unique)
 &rst
  ixpk= 9692, iat=  76,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HB            6 ILE  HA          5.00    (#   9696:25   Unique)
 &rst
  ixpk= 9696, iat=  80,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 ILE  HG11          6 ILE  HA          5.00    (#   9698:25   Unique)
 &rst
  ixpk= 9698, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  87,
 &end
#
#    0 AMB  25-2:9699     6 ILE  HA          5.00    (#   9699:25   Single Ambig)
 &rst
  ixpk= 9699, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  86,  87, 129, 130,
 &end
#
#    0 AMB  25-2:9700     6 ILE  HA          3.30    (#   9700:25   Single Ambig)
 &rst
  ixpk= 9700, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=  89,  90,  91,  82,  83,  84,
 &end
#
#    6 ILE  HA            6 ILE  HD11        5.00    (#   9709:25   Unique)
 &rst
  ixpk= 9709, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  89,  90,  91,
 &end
#
#    0 AMB  25-2:9799     0 AMB  25-1:9799   5.00    (#   9799:25   Double Ambig)
 &rst
  ixpk= 9799, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  25-2:9800     0 AMB  25-1:9800   3.30    (#   9800:25   Double Ambig)
 &rst
  ixpk= 9800, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 132, 133, 134,
 &end
#
#    0 AMB  25-2:9801     0 AMB  25-1:9801   2.70    (#   9801:25   Double Ambig)
 &rst
  ixpk= 9801, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  86,  87, 904, 905, 129, 130,
 igr2=  89,  90,  91, 907, 908, 909, 132, 133, 134,
 &end
#
#    0 AMB  25-2:9802     0 AMB  25-1:9802   3.30    (#   9802:25   Double Ambig)
 &rst
  ixpk= 9802, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  86,  87, 129, 130,
 igr2=  89,  90,  91, 132, 133, 134,
 &end
#
#    0 AMB  25-2:9915    49 VAL  HA          2.70    (#   9915:25   Single Ambig)
 &rst
  ixpk= 9915, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 707, 691,
 &end
#
#    0 AMB  25-2:9917    49 VAL  HA          5.00    (#   9917:25   Single Ambig)
 &rst
  ixpk= 9917, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 731, 732,
 &end
#
#    0 AMB  25-2:9918    49 VAL  HA          3.30    (#   9918:25   Single Ambig)
 &rst
  ixpk= 9918, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 695, 714, 715,
 &end
#
#    0 AMB  25-2:9919    49 VAL  HA          5.00    (#   9919:25   Single Ambig)
 &rst
  ixpk= 9919, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 561, 562, 711, 712, 728,
 &end
#
#   48 ALA  HB1          49 VAL  HA          5.00    (#   9920:25   Unique)
 &rst
  ixpk= 9920, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 685, 686, 687,
 &end
#
#    0 AMB  25-2:9921    49 VAL  HA          5.00    (#   9921:25   Single Ambig)
 &rst
  ixpk= 9921, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 697, 698, 699,
 &end
#
#   50 GLN  HA           49 VAL  HA          5.00    (#   9923:25   Unique)
 &rst
  ixpk= 9923, iat= 709, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9984    63 ILE  HA          5.00    (#   9984:25   Single Ambig)
 &rst
  ixpk= 9984, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 894, 403,
 &end
#
#   64 LYS  HN           63 ILE  HA          5.00    (#   9985:25   Unique)
 &rst
  ixpk= 9985, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 PRO  HA           63 ILE  HA          5.00    (#   9987:25   Unique)
 &rst
  ixpk= 9987, iat= 399, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:9990    63 ILE  HA          3.30    (#   9990:25   Single Ambig)
 &rst
  ixpk= 9990, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 898, 917, 918,
 &end
#
#   63 ILE  HG11         63 ILE  HA          5.00    (#   9991:25   Unique)
 &rst
  ixpk= 9991, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 904, 905,
 &end
#
#   63 ILE  HD11         63 ILE  HA          5.00    (#   9992:25   Unique)
 &rst
  ixpk= 9992, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 &end
#
#   63 ILE  HG21         63 ILE  HA          5.00    (#   9993:25   Unique)
 &rst
  ixpk= 9993, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#   79 SER  HN           79 SER  HA          5.00    (#   10085:25   Unique)
 &rst
  ixpk= 10085, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10086   20 SER  HA          5.00    (#   10086:25   Single Ambig)
 &rst
  ixpk= 10086, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 305, 280,
 &end
#
#   79 SER  HB1          79 SER  HA          3.30    (#   10091:25   Unique)
 &rst
  ixpk= 10091, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1148,1149,
 &end
#
#    0 AMB  25-2:10093    0 AMB  25-1:10093  6.00    (#   10093:25   Double Ambig)
 &rst
  ixpk= 10093, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 393, 394,1124,1125,
 igr2= 289,1146,
 &end
#
#    0 AMB  25-2:10095   20 SER  HA          6.00    (#   10095:25   Single Ambig)
 &rst
  ixpk= 10095, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1043, 282, 283,
 &end
#
#   37 SER  HN           37 SER  HA          5.00    (#   10171:25   Unique)
 &rst
  ixpk= 10171, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLY  HN           37 SER  HA          6.00    (#   10175:25   Unique)
 &rst
  ixpk= 10175, iat= 517, 508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 SER  HN           20 SER  HA          5.00    (#   10178:25   Unique)
 &rst
  ixpk= 10178, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10181   20 SER  HA          3.30    (#   10181:25   Single Ambig)
 &rst
  ixpk= 10181, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 291,1060,1061,
 &end
#
#   76 VAL  HB           76 VAL  HA          2.70    (#   10295:25   Unique)
 &rst
  ixpk= 10295, iat=1093,1091, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 VAL  MGX          76 VAL  HA          3.30    (#   10296:25   Unique)
 &rst
  ixpk= 10296, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   76 VAL  HN           76 VAL  HA          5.00    (#   10297:25   Unique)
 &rst
  ixpk= 10297, iat=1089,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 GLU  HN           76 VAL  HA          3.30    (#   10298:25   Unique)
 &rst
  ixpk= 10298, iat=1105,1091, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   77 GLU  HG1          76 VAL  HA          6.00    (#   10299:25   Unique)
 &rst
  ixpk= 10299, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1112,1113,
 &end
#
#   68 ASN  HN           67 CYS  HA          5.00    (#   10300:25   Unique)
 &rst
  ixpk= 10300, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HN           67 CYS  HA          5.00    (#   10302:25   Unique)
 &rst
  ixpk= 10302, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10304   67 CYS  HA          5.00    (#   10304:25   Single Ambig)
 &rst
  ixpk= 10304, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 307, 957,1019, 973,
 &end
#
#   23 LYS  HA           67 CYS  HA          5.00    (#   10305:25   Unique)
 &rst
  ixpk= 10305, iat= 317, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 CYS  HB3          67 CYS  HA          5.00    (#   10308:25   Unique)
 &rst
  ixpk= 10308, iat= 966, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 ASN  HB1          67 CYS  HA          5.00    (#   10309:25   Unique)
 &rst
  ixpk= 10309, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   67 CYS  HB2          67 CYS  HA          5.00    (#   10310:25   Unique)
 &rst
  ixpk= 10310, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 LYS  QB           67 CYS  HA          3.30    (#   10311:25   Unique)
 &rst
  ixpk= 10311, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 319, 320,
 &end
#
#   23 LYS  HG1          67 CYS  HA          5.00    (#   10312:25   Unique)
 &rst
  ixpk= 10312, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 322, 323,
 &end
#
#    0 AMB  25-2:10398   40 VAL  HA          5.00    (#   10398:25   Single Ambig)
 &rst
  ixpk= 10398, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 561, 562, 528, 728,
 &end
#
#    0 AMB  25-2:10484   40 VAL  HA          5.00    (#   10484:25   Single Ambig)
 &rst
  ixpk= 10484, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 541, 574,
 &end
#
#   41 GLN  HN           40 VAL  HA          3.30    (#   10485:25   Unique)
 &rst
  ixpk= 10485, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   39 GLN  HA           40 VAL  HA          5.00    (#   10486:25   Unique)
 &rst
  ixpk= 10486, iat= 526, 543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10489   40 VAL  HA          2.70    (#   10489:25   Single Ambig)
 &rst
  ixpk= 10489, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 545, 759,
 &end
#
#   40 VAL  MG1          40 VAL  HA          3.30    (#   10490:25   Unique)
 &rst
  ixpk= 10490, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 547, 548, 549,
 &end
#
#   40 VAL  MG2          40 VAL  HA          5.00    (#   10491:25   Unique)
 &rst
  ixpk= 10491, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 551, 552, 553,
 &end
#
#   62 LEU  HG           61 THR  HA          5.00    (#   10675:25   Unique)
 &rst
  ixpk= 10675, iat= 882, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 LYS  HN           69 LYS  HA          5.00    (#   10706:25   Unique)
 &rst
  ixpk= 10706, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10707   69 LYS  HA          5.00    (#   10707:25   Single Ambig)
 &rst
  ixpk= 10707, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1007,1017,
 &end
#
#    0 AMB  25-2:10709   69 LYS  HA          3.30    (#   10709:25   Single Ambig)
 &rst
  ixpk= 10709, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 995, 996, 990,
 &end
#
#   69 LYS  HG2          69 LYS  HA          3.30    (#   10710:25   Unique)
 &rst
  ixpk= 10710, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 992, 993,
 &end
#
#   16 VAL  MG1          69 LYS  HA          6.00    (#   10711:25   manually assigned)
 &rst
  ixpk= 10711, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 &end
#
#    0 AMB  25-2:10738   61 THR  HA          5.00    (#   10738:25   Single Ambig)
 &rst
  ixpk= 10738, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 403, 894,
 &end
#
#   30 THR  HG21         61 THR  HA          5.00    (#   10739:25   Unique)
 &rst
  ixpk= 10739, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-2:10741   61 THR  HA          8.00    (#   10741:25   Single Ambig)
 &rst
  ixpk= 10741, iat= 472, 863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    8 ILE  HN            8 ILE  HA          5.00    (#   10774:25   Unique)
 &rst
  ixpk= 10774, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 PRO  HD1           8 ILE  HA          3.30    (#   10775:25   Unique)
 &rst
  ixpk= 10775, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    9 PRO  HD2           8 ILE  HA          3.30    (#   10776:25   Unique)
 &rst
  ixpk= 10776, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 139, 140,
 &end
#
#    0 AMB  25-2:10777    8 ILE  HA          5.00    (#   10777:25   Single Ambig)
 &rst
  ixpk= 10777, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  65,  66, 142, 143,
 &end
#
#    8 ILE  HB            8 ILE  HA          5.00    (#   10778:25   Unique)
 &rst
  ixpk= 10778, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10779    8 ILE  HA          5.00    (#   10779:25   Single Ambig)
 &rst
  ixpk= 10779, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    0 AMB  25-2:10780    8 ILE  HA          5.00    (#   10780:25   Single Ambig)
 &rst
  ixpk= 10780, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 129, 130,  86,  87,
 &end
#
#    8 ILE  HG21          8 ILE  HA          5.00    (#   10781:25   Unique)
 &rst
  ixpk= 10781, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 125, 126, 127,
 &end
#
#    0 AMB  25-2:10782    8 ILE  HA          5.00    (#   10782:25   Single Ambig)
 &rst
  ixpk= 10782, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 132, 133, 134,  82,  83,  84,  89,  90,  91,
 &end
#
#   60 GLY  HN           59 ARG  HA          5.00    (#   10787:25   Unique)
 &rst
  ixpk= 10787, iat= 854, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 ARG  HN           59 ARG  HA          5.00    (#   10788:25   Unique)
 &rst
  ixpk= 10788, iat= 830, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10789   59 ARG  HA          5.00    (#   10789:25   Single Ambig)
 &rst
  ixpk= 10789, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 861,
 &end
#
#    0 AMB  25-2:10793   59 ARG  HA          5.00    (#   10793:25   Single Ambig)
 &rst
  ixpk= 10793, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   59 ARG  QB           59 ARG  HA          2.70    (#   10794:25   Unique)
 &rst
  ixpk= 10794, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 834, 835,
 &end
#
#   59 ARG  HG1          59 ARG  HA          3.30    (#   10795:25   Unique)
 &rst
  ixpk= 10795, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 837, 838,
 &end
#
#   31 CYS  HN           61 THR  HA          5.00    (#   10853:25   Unique)
 &rst
  ixpk= 10853, iat= 434, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  HN           61 THR  HA          3.30    (#   10854:25   Unique)
 &rst
  ixpk= 10854, iat= 875, 863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   61 THR  HN           61 THR  HA          5.00    (#   10855:25   Unique)
 &rst
  ixpk= 10855, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10858   61 THR  HA          5.00    (#   10858:25   Single Ambig)
 &rst
  ixpk= 10858, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 422, 865,
 &end
#
#   60 GLY  HA2          61 THR  HA          5.00    (#   10859:25   Unique)
 &rst
  ixpk= 10859, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 857,
 &end
#
#   31 CYS  HB3          61 THR  HA          5.00    (#   10860:25   Unique)
 &rst
  ixpk= 10860, iat= 439, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10862   61 THR  HA          5.00    (#   10862:25   Single Ambig)
 &rst
  ixpk= 10862, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 834, 835, 408,
 &end
#
#   61 THR  HG21         61 THR  HA          3.30    (#   10863:25   Unique)
 &rst
  ixpk= 10863, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 867, 868, 869,
 &end
#
#   47 PHE  HN           46 PHE  HA          5.00    (#   10904:25   Unique)
 &rst
  ixpk= 10904, iat= 661, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 PHE  HD1          46 PHE  HA          5.00    (#   10905:25   Unique)
 &rst
  ixpk= 10905, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 649, 657,
 &end
#
#   46 PHE  HB+          46 PHE  HA          3.30    (#   10909:25   Unique)
 &rst
  ixpk= 10909, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 645, 646,
 &end
#
#   46 PHE  HB-          46 PHE  HA          3.30    (#   10910:25   Unique)
 &rst
  ixpk= 10910, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 645, 646,
 &end
#
#   74 GLY  HN           73 HIS  HA          5.00    (#   10967:25   Unique)
 &rst
  ixpk= 10967, iat=1058,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HN           73 HIS  HA          5.00    (#   10968:25   Unique)
 &rst
  ixpk= 10968, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 HIS  HD2          73 HIS  HA          5.00    (#   10969:25   Unique)
 &rst
  ixpk= 10969, iat=1054,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:10972   73 HIS  HA          3.30    (#   10972:25   Single Ambig)
 &rst
  ixpk= 10972, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1045,1046, 300, 301,
 &end
#
#    0 AMB  25-2:11017   61 THR  HA          5.00    (#   11017:25   Single Ambig)
 &rst
  ixpk= 11017, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 840, 841, 800,
 &end
#
#   13 GLU  HN           13 GLU  HA          5.00    (#   11037:25   Unique)
 &rst
  ixpk= 11037, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ARG  HA           13 GLU  HA          5.00    (#   11038:25   Unique)
 &rst
  ixpk= 11038, iat=1067, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11040   13 GLU  HA          5.00    (#   11040:25   Single Ambig)
 &rst
  ixpk= 11040, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1075,1076, 220,
 &end
#
#   64 LYS  HB+          64 LYS  HA          2.70    (#   11127:25   Unique)
 &rst
  ixpk= 11127, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 917, 918,
 &end
#
#   64 LYS  HG2          64 LYS  HA          5.00    (#   11128:25   Unique)
 &rst
  ixpk= 11128, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 920, 921,
 &end
#
#   14 CYS  HN           13 GLU  HA          5.00    (#   11129:25   Unique)
 &rst
  ixpk= 11129, iat= 215, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 CYS  HB2          13 GLU  HA          5.00    (#   11130:25   Unique)
 &rst
  ixpk= 11130, iat= 219, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 GLU  HB2          13 GLU  HA          5.00    (#   11131:25   Unique)
 &rst
  ixpk= 11131, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 204, 205,
 &end
#
#    0 AMB  25-2:11133   13 GLU  HA          5.00    (#   11133:25   Single Ambig)
 &rst
  ixpk= 11133, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1072,1073,1070,
 &end
#
#   54 PRO  HG2          55 HIS  HA          6.00    (#   11267:25   Unique)
 &rst
  ixpk= 11267, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 769, 770,
 &end
#
#   55 HIS  HN           55 HIS  HA          5.00    (#   11269:25   Unique)
 &rst
  ixpk= 11269, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 CYS  HN           55 HIS  HA          5.00    (#   11270:25   Unique)
 &rst
  ixpk= 11270, iat= 796, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 THR  HB           55 HIS  HA          8.00    (#   11273:25   Unique)
 &rst
  ixpk= 11273, iat= 462, 781, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   55 HIS  HD2          55 HIS  HA          5.00    (#   11277:25   Unique)
 &rst
  ixpk= 11277, iat= 792, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 HIS  HB1          55 HIS  HA          5.00    (#   11278:25   Unique)
 &rst
  ixpk= 11278, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 783, 784,
 &end
#
#   55 HIS  HB2          55 HIS  HA          5.00    (#   11279:25   Unique)
 &rst
  ixpk= 11279, iat= 783, 781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 GLY  HN           35 HIS  HA          5.00    (#   11283:25   Unique)
 &rst
  ixpk= 11283, iat= 499, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#   11284:25   Unique)
 &rst
  ixpk= 11284, iat= 482, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HB3          35 HIS  HA          5.00    (#   11286:25   Unique)
 &rst
  ixpk= 11286, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 THR  HG21         35 HIS  HA          5.00    (#   11287:25   Unique)
 &rst
  ixpk= 11287, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 426, 427, 428,
 &end
#
#   64 LYS  HN           64 LYS  HA          5.00    (#   11293:25   Unique)
 &rst
  ixpk= 11293, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11294    0 AMB  25-1:11294  5.00    (#   11294:25   Double Ambig)
 &rst
  ixpk= 11294, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 434, 935,
 igr2= 436, 915,
 &end
#
#   32 PRO  HD1          31 CYS  HA          5.00    (#   11299:25   Unique)
 &rst
  ixpk= 11299, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 445, 446,
 &end
#
#   31 CYS  HB2          31 CYS  HA          5.00    (#   11300:25   Unique)
 &rst
  ixpk= 11300, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11301    0 AMB  25-1:11301  5.00    (#   11301:25   Double Ambig)
 &rst
  ixpk= 11301, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 884, 885, 886, 888, 889, 890,
 igr2= 436, 915,
 &end
#
#   57 GLN  HN           57 GLN  HA          5.00    (#   11304:25   Unique)
 &rst
  ixpk= 11304, iat= 806, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  25-2:11305    0 AMB  25-1:11305  5.00    (#   11305:25   Double Ambig)
 &rst
  ixpk= 11305, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 775, 282, 283, 825, 826,
 igr2= 808, 202,
 &end
#
#    0 AMB  25-2:11307   57 GLN  HA          3.30    (#   11307:25   Single Ambig)
 &rst
  ixpk= 11307, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   52 THR  HG21         57 GLN  HA          5.00    (#   11308:25   Unique)
 &rst
  ixpk= 11308, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 747, 748, 749,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1  25.763  -0.673  -3.112
    2   1HA   GLY   1          HA2       GLY   1  23.684   0.999  -3.250
    3   2HA   GLY   1          HA3       GLY   1  24.350   1.231  -4.881
    4    H    VAL   2           H        VAL   2  24.740  -0.761  -6.158
    5    HA   VAL   2           HA       VAL   2  22.511  -2.480  -6.384
    6    HB   VAL   2           HB       VAL   2  23.939  -3.794  -7.913
    7   1HG1  VAL   2          1HG1      VAL   2  24.318  -2.037  -9.551
    8   2HG1  VAL   2          2HG1      VAL   2  22.805  -1.734  -8.682
    9   3HG1  VAL   2          3HG1      VAL   2  24.258  -0.787  -8.296
   10   1HG2  VAL   2          1HG2      VAL   2  26.241  -3.117  -8.399
   11   2HG2  VAL   2          2HG2      VAL   2  26.220  -1.948  -7.070
   12   3HG2  VAL   2          3HG2      VAL   2  26.104  -3.689  -6.734
   13    H    THR   3           H        THR   3  25.262  -2.669  -4.264
   14    HA   THR   3           HA       THR   3  25.303  -5.429  -3.604
   15    HB   THR   3           HB       THR   3  26.423  -4.255  -1.518
   16    HG1  THR   3           HG1      THR   3  26.958  -2.089  -1.976
   17   1HG2  THR   3          1HG2      THR   3  27.703  -5.279  -3.376
   18   2HG2  THR   3          2HG2      THR   3  27.514  -3.799  -4.339
   19   3HG2  THR   3          3HG2      THR   3  28.463  -3.772  -2.839
   20    H    LYS   4           H        LYS   4  23.433  -2.621  -2.474
   21    HA   LYS   4           HA       LYS   4  22.146  -4.191  -0.291
   22   1HB   LYS   4          HB2       LYS   4  21.965  -1.257  -1.109
   23   2HB   LYS   4          HB3       LYS   4  21.128  -2.020   0.262
   24   1HG   LYS   4          HG2       LYS   4  23.219  -2.508   1.371
   25   2HG   LYS   4          HG3       LYS   4  24.159  -2.033  -0.046
   26   1HD   LYS   4          HD2       LYS   4  24.267  -0.330   1.668
   27   2HD   LYS   4          HD3       LYS   4  23.526   0.308   0.202
   28   1HE   LYS   4          HE2       LYS   4  21.820  -0.727   2.513
   29   2HE   LYS   4          HE3       LYS   4  22.514   0.900   2.542
   30   1HZ   LYS   4          HZ1       LYS   4  21.410   1.405   0.518
   31   2HZ   LYS   4          HZ2       LYS   4  20.732  -0.093   0.442
   32   3HZ   LYS   4          HZ3       LYS   4  20.327   0.930   1.664
   33    H    GLU   5           H        GLU   5  21.399  -2.261  -3.181
   34    HA   GLU   5           HA       GLU   5  18.597  -3.018  -3.344
   35   1HB   GLU   5          HB2       GLU   5  20.490  -1.683  -5.328
   36   2HB   GLU   5          HB3       GLU   5  18.730  -1.749  -5.472
   37   1HG   GLU   5          HG2       GLU   5  18.456  -0.348  -3.496
   38   2HG   GLU   5          HG3       GLU   5  20.188  -0.399  -3.140
   39    H    ILE   6           H        ILE   6  19.444  -5.376  -3.102
   40    HA   ILE   6           HA       ILE   6  20.667  -6.630  -5.366
   41    HB   ILE   6           HB       ILE   6  20.056  -8.765  -4.215
   42   1HG1  ILE   6          2HG1      ILE   6  19.141  -6.946  -1.926
   43   2HG1  ILE   6          3HG1      ILE   6  18.042  -7.875  -2.944
   44   1HG2  ILE   6          1HG2      ILE   6  21.797  -8.436  -2.545
   45   2HG2  ILE   6          2HG2      ILE   6  22.202  -7.493  -3.974
   46   3HG2  ILE   6          3HG2      ILE   6  21.518  -6.683  -2.551
   47   1HD1  ILE   6          1HD1      ILE   6  20.200  -8.986  -1.100
   48   2HD1  ILE   6          2HD1      ILE   6  18.452  -9.081  -0.894
   49   3HD1  ILE   6          3HD1      ILE   6  19.231  -9.972  -2.220
   50    H    ARG   7           H        ARG   7  19.342  -5.663  -6.965
   51    HA   ARG   7           HA       ARG   7  16.644  -6.493  -7.501
   52   1HB   ARG   7          HB2       ARG   7  17.162  -5.457  -9.786
   53   2HB   ARG   7          HB3       ARG   7  17.176  -4.450  -8.354
   54   1HG   ARG   7          HG2       ARG   7  18.911  -3.846  -9.899
   55   2HG   ARG   7          HG3       ARG   7  19.558  -4.250  -8.339
   56   1HD   ARG   7          HD2       ARG   7  19.594  -6.014 -10.832
   57   2HD   ARG   7          HD3       ARG   7  20.947  -5.031 -10.281
   58    HE   ARG   7           HE       ARG   7  20.229  -7.650  -9.432
   59   1HH1  ARG   7          1HH1      ARG   7  21.532  -4.665  -8.076
   60   2HH1  ARG   7          2HH1      ARG   7  22.389  -5.436  -6.773
   61   1HH2  ARG   7          1HH2      ARG   7  22.457  -7.798  -6.735
   62   2HH2  ARG   7          2HH2      ARG   7  21.475  -8.711  -7.853
   63    H    ILE   8           H        ILE   8  17.567  -8.845  -6.995
   64    HA   ILE   8           HA       ILE   8  17.585 -10.250  -9.634
   65    HB   ILE   8           HB       ILE   8  19.813 -10.327  -8.918
   66   1HG1  ILE   8          2HG1      ILE   8  18.511 -13.015  -8.312
   67   2HG1  ILE   8          3HG1      ILE   8  18.736 -12.328  -9.928
   68   1HG2  ILE   8          1HG2      ILE   8  20.682 -11.127  -6.861
   69   2HG2  ILE   8          2HG2      ILE   8  19.488  -9.910  -6.442
   70   3HG2  ILE   8          3HG2      ILE   8  19.100 -11.635  -6.270
   71   1HD1  ILE   8          1HD1      ILE   8  21.208 -12.265  -9.527
   72   2HD1  ILE   8          2HD1      ILE   8  20.943 -13.105  -7.979
   73   3HD1  ILE   8          3HD1      ILE   8  20.512 -13.898  -9.501
   74    HA   PRO   9           HA       PRO   9  13.746 -10.889  -7.224
   75   1HB   PRO   9          HB2       PRO   9  13.317 -12.395  -9.821
   76   2HB   PRO   9          HB3       PRO   9  12.091 -11.548  -8.838
   77   1HG   PRO   9          HG2       PRO   9  13.189 -10.242 -10.939
   78   2HG   PRO   9          HG3       PRO   9  13.087  -9.395  -9.366
   79   1HD   PRO   9          HD2       PRO   9  15.481 -10.756 -10.606
   80   2HD   PRO   9          HD3       PRO   9  15.396  -9.200  -9.730
   81    H    THR  10           H        THR  10  13.072 -12.518  -5.864
   82    HA   THR  10           HA       THR  10  13.406 -15.285  -6.479
   83    HB   THR  10           HB       THR  10  14.781 -14.555  -3.900
   84    HG1  THR  10           HG1      THR  10  15.924 -14.242  -6.464
   85   1HG2  THR  10          1HG2      THR  10  16.062 -16.590  -4.418
   86   2HG2  THR  10          2HG2      THR  10  14.317 -16.910  -4.483
   87   3HG2  THR  10          3HG2      THR  10  15.247 -16.718  -5.991
   88    H    LEU  11           H        LEU  11  12.014 -16.504  -5.066
   89    HA   LEU  11           HA       LEU  11  10.038 -14.831  -3.642
   90   1HB   LEU  11          HB2       LEU  11  10.054 -17.786  -4.352
   91   2HB   LEU  11          HB3       LEU  11   8.715 -16.913  -3.596
   92    HG   LEU  11           HG       LEU  11   9.845 -16.359  -6.384
   93   1HD1  LEU  11          1HD1      LEU  11   8.545 -18.452  -6.218
   94   2HD1  LEU  11          2HD1      LEU  11   7.186 -17.554  -5.504
   95   3HD1  LEU  11          3HD1      LEU  11   7.700 -17.221  -7.174
   96   1HD2  LEU  11          1HD2      LEU  11   7.758 -14.889  -6.533
   97   2HD2  LEU  11          2HD2      LEU  11   7.627 -15.038  -4.766
   98   3HD2  LEU  11          3HD2      LEU  11   9.057 -14.267  -5.512
   99    H    GLU  12           H        GLU  12   9.431 -15.112  -1.531
  100    HA   GLU  12           HA       GLU  12  11.129 -16.808   0.219
  101   1HB   GLU  12          HB2       GLU  12  10.490 -13.851   0.636
  102   2HB   GLU  12          HB3       GLU  12  11.311 -14.915   1.791
  103   1HG   GLU  12          HG2       GLU  12  13.129 -15.289   0.087
  104   2HG   GLU  12          HG3       GLU  12  12.351 -14.089  -0.960
  105    H    GLU  13           H        GLU  13  10.017 -17.538   2.028
  106    HA   GLU  13           HA       GLU  13   7.113 -17.467   1.851
  107   1HB   GLU  13          HB2       GLU  13   7.083 -18.979   3.634
  108   2HB   GLU  13          HB3       GLU  13   8.335 -19.529   2.536
  109   1HG   GLU  13          HG2       GLU  13   8.938 -17.958   5.110
  110   2HG   GLU  13          HG3       GLU  13   8.759 -19.697   5.046
  111    H    CYS  14           H        CYS  14   5.720 -16.346   3.302
  112    HA   CYS  14           HA       CYS  14   6.921 -13.943   4.456
  113   1HB   CYS  14          HB2       CYS  14   4.739 -13.909   3.344
  114   2HB   CYS  14          HB3       CYS  14   4.125 -15.013   4.567
  115    H    ASP  15           H        ASP  15   8.348 -14.872   5.910
  116    HA   ASP  15           HA       ASP  15   8.153 -16.730   7.877
  117   1HB   ASP  15          HB2       ASP  15   9.856 -15.541   9.082
  118   2HB   ASP  15          HB3       ASP  15  10.159 -15.328   7.355
  119    H    VAL  16           H        VAL  16   6.881 -13.438   8.082
  120    HA   VAL  16           HA       VAL  16   6.011 -13.330  10.739
  121    HB   VAL  16           HB       VAL  16   5.043 -12.080   8.155
  122   1HG1  VAL  16          1HG1      VAL  16   3.996 -11.525  10.944
  123   2HG1  VAL  16          2HG1      VAL  16   3.776 -10.443   9.548
  124   3HG1  VAL  16          3HG1      VAL  16   3.085 -12.067   9.506
  125   1HG2  VAL  16          1HG2      VAL  16   6.512 -10.974  10.594
  126   2HG2  VAL  16          2HG2      VAL  16   7.276 -11.408   9.055
  127   3HG2  VAL  16          3HG2      VAL  16   6.116 -10.073   9.122
  128    H    CYS  17           H        CYS  17   4.257 -14.787   7.928
  129    HA   CYS  17           HA       CYS  17   2.211 -15.868   9.862
  130   1HB   CYS  17          HB2       CYS  17   0.916 -16.444   7.953
  131   2HB   CYS  17          HB3       CYS  17   1.209 -14.700   8.096
  132    H    HIS  18           H        HIS  18   5.171 -16.711   9.197
  133    HA   HIS  18           HA       HIS  18   6.373 -18.575   9.011
  134   1HB   HIS  18          HB2       HIS  18   3.911 -20.043   9.970
  135   2HB   HIS  18          HB3       HIS  18   5.606 -20.446  10.270
  136    HD1  HIS  18           HD1      HIS  18   6.171 -17.196  11.152
  137    HD2  HIS  18           HD2      HIS  18   3.220 -19.869  12.522
  138    HE1  HIS  18           HE1      HIS  18   5.344 -16.293  13.383
  139    H    GLY  19           H        GLY  19   5.075 -17.671   6.660
  140   1HA   GLY  19          HA2       GLY  19   4.983 -18.367   4.497
  141   2HA   GLY  19          HA3       GLY  19   5.458 -19.991   4.997
  142    H    SER  20           H        SER  20   2.613 -19.181   6.752
  143    HA   SER  20           HA       SER  20   1.103 -21.016   5.030
  144   1HB   SER  20          HB2       SER  20  -0.653 -20.842   6.658
  145   2HB   SER  20          HB3       SER  20   0.873 -21.247   7.442
  146    HG   SER  20           HG       SER  20   1.005 -19.131   8.208
  147    H    GLY  21           H        GLY  21   0.076 -17.990   6.455
  148   1HA   GLY  21          HA2       GLY  21  -0.333 -16.185   4.476
  149   2HA   GLY  21          HA3       GLY  21  -1.647 -17.315   4.159
  150    H    ALA  22           H        ALA  22  -1.665 -17.781   7.342
  151    HA   ALA  22           HA       ALA  22  -3.673 -15.699   7.732
  152   1HB   ALA  22          HB1       ALA  22  -4.262 -16.857   9.741
  153   2HB   ALA  22          HB2       ALA  22  -4.059 -18.027   8.428
  154   3HB   ALA  22          HB3       ALA  22  -2.779 -17.838   9.662
  155    H    LYS  23           H        LYS  23  -3.641 -14.156   9.545
  156    HA   LYS  23           HA       LYS  23  -1.239 -12.746   9.723
  157   1HB   LYS  23          HB2       LYS  23  -3.382 -12.632  11.865
  158   2HB   LYS  23          HB3       LYS  23  -2.228 -11.379  11.402
  159   1HG   LYS  23          HG2       LYS  23  -3.335 -10.978   9.304
  160   2HG   LYS  23          HG3       LYS  23  -4.446 -12.304   9.597
  161   1HD   LYS  23          HD2       LYS  23  -5.579 -10.266  10.140
  162   2HD   LYS  23          HD3       LYS  23  -5.309 -11.188  11.628
  163   1HE   LYS  23          HE2       LYS  23  -4.918  -8.764  11.925
  164   2HE   LYS  23          HE3       LYS  23  -3.465  -9.700  12.272
  165   1HZ   LYS  23          HZ1       LYS  23  -4.030  -8.300   9.747
  166   2HZ   LYS  23          HZ2       LYS  23  -3.028  -7.760  10.939
  167   3HZ   LYS  23          HZ3       LYS  23  -2.648  -9.126  10.104
  168    HA   PRO  24           HA       PRO  24   1.518 -14.688  12.499
  169   1HB   PRO  24          HB2       PRO  24   2.257 -12.622  14.282
  170   2HB   PRO  24          HB3       PRO  24   2.971 -12.968  12.688
  171   1HG   PRO  24          HG2       PRO  24   0.766 -11.018  13.362
  172   2HG   PRO  24          HG3       PRO  24   2.185 -10.741  12.312
  173   1HD   PRO  24          HD2       PRO  24  -0.148 -11.270  11.195
  174   2HD   PRO  24          HD3       PRO  24   1.238 -12.191  10.597
  175    H    GLY  25           H        GLY  25   1.368 -15.954  14.301
  176   1HA   GLY  25          HA2       GLY  25   0.677 -16.792  16.324
  177   2HA   GLY  25          HA3       GLY  25  -0.105 -15.250  16.709
  178    H    THR  26           H        THR  26  -1.857 -14.892  14.766
  179    HA   THR  26           HA       THR  26  -4.101 -16.541  15.332
  180    HB   THR  26           HB       THR  26  -3.803 -14.516  13.085
  181    HG1  THR  26           HG1      THR  26  -2.871 -13.453  14.760
  182   1HG2  THR  26          1HG2      THR  26  -6.017 -15.675  13.438
  183   2HG2  THR  26          2HG2      THR  26  -6.054 -15.016  15.089
  184   3HG2  THR  26          3HG2      THR  26  -6.089 -13.914  13.693
  185    H    GLN  27           H        GLN  27  -2.845 -18.549  14.646
  186    HA   GLN  27           HA       GLN  27  -1.998 -19.089  12.092
  187   1HB   GLN  27          HB2       GLN  27  -2.299 -21.497  12.688
  188   2HB   GLN  27          HB3       GLN  27  -1.530 -20.566  13.967
  189   1HG   GLN  27          HG2       GLN  27  -3.328 -20.758  15.401
  190   2HG   GLN  27          HG3       GLN  27  -4.537 -20.835  14.122
  191   1HE2  GLN  27          1HE2      GLN  27  -4.297 -24.357  13.610
  192   2HE2  GLN  27          2HE2      GLN  27  -4.698 -22.861  12.787
  193    HA   PRO  28           HA       PRO  28  -5.438 -19.665   9.361
  194   1HB   PRO  28          HB2       PRO  28  -4.404 -22.420   8.751
  195   2HB   PRO  28          HB3       PRO  28  -4.871 -21.121   7.601
  196   1HG   PRO  28          HG2       PRO  28  -2.256 -21.696   8.103
  197   2HG   PRO  28          HG3       PRO  28  -2.787 -19.991   7.974
  198   1HD   PRO  28          HD2       PRO  28  -2.308 -21.639  10.454
  199   2HD   PRO  28          HD3       PRO  28  -1.795 -19.963  10.104
  200    H    GLN  29           H        GLN  29  -7.525 -20.629   9.434
  201    HA   GLN  29           HA       GLN  29  -8.007 -22.150  11.915
  202   1HB   GLN  29          HB2       GLN  29  -9.942 -21.091   9.832
  203   2HB   GLN  29          HB3       GLN  29 -10.344 -21.684  11.449
  204   1HG   GLN  29          HG2       GLN  29  -8.611 -19.215  10.841
  205   2HG   GLN  29          HG3       GLN  29 -10.313 -19.226  11.279
  206   1HE2  GLN  29          1HE2      GLN  29  -7.554 -19.648  14.247
  207   2HE2  GLN  29          2HE2      GLN  29  -6.990 -19.624  12.594
  208    H    THR  30           H        THR  30  -8.071 -24.372  11.950
  209    HA   THR  30           HA       THR  30  -7.611 -26.040   9.833
  210    HB   THR  30           HB       THR  30  -9.427 -26.713  12.195
  211    HG1  THR  30           HG1      THR  30  -7.454 -26.892  13.373
  212   1HG2  THR  30          1HG2      THR  30  -7.192 -28.250  10.790
  213   2HG2  THR  30          2HG2      THR  30  -8.169 -28.845  12.151
  214   3HG2  THR  30          3HG2      THR  30  -8.938 -28.532  10.585
  215    H    CYS  31           H        CYS  31  -8.860 -26.545   8.000
  216    HA   CYS  31           HA       CYS  31 -11.507 -25.528   7.743
  217   1HB   CYS  31          HB2       CYS  31 -10.007 -26.026   5.830
  218   2HB   CYS  31          HB3       CYS  31 -10.208 -27.746   6.160
  219    HA   PRO  32           HA       PRO  32 -13.197 -28.930  10.214
  220   1HB   PRO  32          HB2       PRO  32 -15.813 -28.211  10.372
  221   2HB   PRO  32          HB3       PRO  32 -14.499 -27.347  11.232
  222   1HG   PRO  32          HG2       PRO  32 -15.769 -26.571   8.587
  223   2HG   PRO  32          HG3       PRO  32 -15.506 -25.540  10.021
  224   1HD   PRO  32          HD2       PRO  32 -13.760 -25.584   7.932
  225   2HD   PRO  32          HD3       PRO  32 -13.190 -25.399   9.615
  226    H    THR  33           H        THR  33 -14.720 -27.875   7.117
  227    HA   THR  33           HA       THR  33 -16.330 -29.912   6.474
  228    HB   THR  33           HB       THR  33 -14.468 -28.790   4.382
  229    HG1  THR  33           HG1      THR  33 -15.645 -26.785   4.646
  230   1HG2  THR  33          1HG2      THR  33 -16.531 -30.083   3.760
  231   2HG2  THR  33          2HG2      THR  33 -17.512 -28.870   4.607
  232   3HG2  THR  33          3HG2      THR  33 -16.566 -28.408   3.176
  233    H    CYS  34           H        CYS  34 -12.778 -29.965   6.207
  234    HA   CYS  34           HA       CYS  34 -12.866 -32.869   5.413
  235   1HB   CYS  34          HB2       CYS  34 -10.583 -32.433   4.514
  236   2HB   CYS  34          HB3       CYS  34 -11.905 -31.762   3.591
  237    H    HIS  35           H        HIS  35 -12.793 -31.331   8.156
  238    HA   HIS  35           HA       HIS  35 -11.685 -31.483  10.151
  239   1HB   HIS  35          HB2       HIS  35 -11.150 -34.317   9.170
  240   2HB   HIS  35          HB3       HIS  35 -11.130 -33.763  10.844
  241    HD1  HIS  35           HD1      HIS  35 -14.125 -32.156   9.561
  242    HD2  HIS  35           HD2      HIS  35 -12.963 -36.088  10.528
  243    HE1  HIS  35           HE1      HIS  35 -16.263 -33.475   9.947
  244    H    GLY  36           H        GLY  36 -10.153 -30.117   8.467
  245   1HA   GLY  36          HA2       GLY  36  -8.050 -29.362   8.047
  246   2HA   GLY  36          HA3       GLY  36  -7.520 -30.299   9.450
  247    H    SER  37           H        SER  37  -8.817 -32.503   7.228
  248    HA   SER  37           HA       SER  37  -6.128 -33.429   6.544
  249   1HB   SER  37          HB2       SER  37  -8.835 -34.736   6.106
  250   2HB   SER  37          HB3       SER  37  -7.239 -35.496   6.041
  251    HG   SER  37           HG       SER  37  -8.286 -34.185   8.369
  252    H    GLY  38           H        GLY  38  -8.090 -31.254   5.049
  253   1HA   GLY  38          HA2       GLY  38  -7.943 -30.320   2.954
  254   2HA   GLY  38          HA3       GLY  38  -6.662 -31.466   2.576
  255    H    GLN  39           H        GLN  39  -9.089 -33.535   3.349
  256    HA   GLN  39           HA       GLN  39 -10.295 -33.494   0.631
  257   1HB   GLN  39          HB2       GLN  39 -10.124 -35.916   0.555
  258   2HB   GLN  39          HB3       GLN  39  -8.560 -35.123   0.646
  259   1HG   GLN  39          HG2       GLN  39  -8.037 -36.606   2.207
  260   2HG   GLN  39          HG3       GLN  39  -9.000 -35.662   3.333
  261   1HE2  GLN  39          1HE2      GLN  39 -11.709 -38.077   3.364
  262   2HE2  GLN  39          2HE2      GLN  39 -11.372 -36.359   3.544
  263    H    VAL  40           H        VAL  40 -12.426 -33.677   0.560
  264    HA   VAL  40           HA       VAL  40 -13.971 -33.941   3.099
  265    HB   VAL  40           HB       VAL  40 -15.911 -33.467   1.568
  266   1HG1  VAL  40          1HG1      VAL  40 -13.736 -31.355   1.543
  267   2HG1  VAL  40          2HG1      VAL  40 -15.477 -31.089   1.294
  268   3HG1  VAL  40          3HG1      VAL  40 -14.879 -31.666   2.868
  269   1HG2  VAL  40          1HG2      VAL  40 -14.796 -34.211  -0.578
  270   2HG2  VAL  40          2HG2      VAL  40 -15.579 -32.628  -0.665
  271   3HG2  VAL  40          3HG2      VAL  40 -13.820 -32.729  -0.527
  272    H    GLN  41           H        GLN  41 -15.372 -35.757   3.410
  273    HA   GLN  41           HA       GLN  41 -14.908 -38.021   1.530
  274   1HB   GLN  41          HB2       GLN  41 -14.403 -38.330   3.910
  275   2HB   GLN  41          HB3       GLN  41 -16.132 -38.129   4.272
  276   1HG   GLN  41          HG2       GLN  41 -16.646 -40.062   2.756
  277   2HG   GLN  41          HG3       GLN  41 -14.934 -40.198   2.336
  278   1HE2  GLN  41          1HE2      GLN  41 -15.071 -42.793   4.789
  279   2HE2  GLN  41          2HE2      GLN  41 -15.224 -42.469   3.064
  280    H    MET  42           H        MET  42 -16.356 -38.075  -0.059
  281    HA   MET  42           HA       MET  42 -19.003 -36.880   0.138
  282   1HB   MET  42          HB2       MET  42 -17.561 -36.822  -1.929
  283   2HB   MET  42          HB3       MET  42 -17.753 -38.575  -2.077
  284   1HG   MET  42          HG2       MET  42 -19.363 -37.466  -3.522
  285   2HG   MET  42          HG3       MET  42 -20.236 -38.231  -2.193
  286   1HE   MET  42          HE1       MET  42 -21.769 -36.351  -3.961
  287   2HE   MET  42          HE2       MET  42 -22.571 -35.270  -2.791
  288   3HE   MET  42          HE3       MET  42 -22.429 -37.009  -2.441
  289    H    ARG  43           H        ARG  43 -19.426 -38.163   2.015
  290    HA   ARG  43           HA       ARG  43 -19.767 -41.002   2.044
  291   1HB   ARG  43          HB2       ARG  43 -20.801 -40.600   4.235
  292   2HB   ARG  43          HB3       ARG  43 -19.247 -39.808   3.992
  293   1HG   ARG  43          HG2       ARG  43 -20.900 -37.736   3.265
  294   2HG   ARG  43          HG3       ARG  43 -21.963 -38.599   4.368
  295   1HD   ARG  43          HD2       ARG  43 -20.281 -38.473   6.143
  296   2HD   ARG  43          HD3       ARG  43 -19.084 -37.782   5.048
  297    HE   ARG  43           HE       ARG  43 -21.327 -36.438   6.338
  298   1HH1  ARG  43          1HH1      ARG  43 -18.971 -36.212   3.635
  299   2HH1  ARG  43          2HH1      ARG  43 -19.115 -34.485   3.543
  300   1HH2  ARG  43          1HH2      ARG  43 -21.466 -34.193   6.162
  301   2HH2  ARG  43          2HH2      ARG  43 -20.534 -33.322   4.975
  302    H    GLN  44           H        GLN  44 -20.960 -40.632  -0.208
  303    HA   GLN  44           HA       GLN  44 -23.864 -40.314   0.022
  304   1HB   GLN  44          HB2       GLN  44 -23.861 -40.698  -2.370
  305   2HB   GLN  44          HB3       GLN  44 -22.634 -39.514  -1.916
  306   1HG   GLN  44          HG2       GLN  44 -21.198 -41.897  -1.862
  307   2HG   GLN  44          HG3       GLN  44 -22.342 -42.179  -3.172
  308   1HE2  GLN  44          1HE2      GLN  44 -19.061 -40.203  -4.065
  309   2HE2  GLN  44          2HE2      GLN  44 -19.268 -41.372  -2.762
  310    H    GLY  45           H        GLY  45 -23.618 -41.959   1.850
  311   1HA   GLY  45          HA2       GLY  45 -24.222 -44.026   2.666
  312   2HA   GLY  45          HA3       GLY  45 -24.803 -44.451   1.045
  313    H    PHE  46           H        PHE  46 -23.801 -46.282   0.390
  314    HA   PHE  46           HA       PHE  46 -21.577 -47.480   1.502
  315   1HB   PHE  46          HB2       PHE  46 -22.380 -47.814  -1.407
  316   2HB   PHE  46          HB3       PHE  46 -21.648 -49.001  -0.343
  317    HD1  PHE  46           HD1      PHE  46 -24.716 -47.861  -1.748
  318    HD2  PHE  46           HD2      PHE  46 -23.071 -49.603   1.844
  319    HE1  PHE  46           HE1      PHE  46 -26.980 -48.592  -1.060
  320    HE2  PHE  46           HE2      PHE  46 -25.342 -50.337   2.519
  321    HZ   PHE  46           HZ       PHE  46 -27.299 -49.828   1.073
  322    H    PHE  47           H        PHE  47 -21.644 -45.449  -1.458
  323    HA   PHE  47           HA       PHE  47 -18.825 -45.904  -1.987
  324   1HB   PHE  47          HB2       PHE  47 -20.590 -43.829  -3.292
  325   2HB   PHE  47          HB3       PHE  47 -19.205 -44.668  -3.965
  326    HD1  PHE  47           HD1      PHE  47 -19.452 -47.292  -4.217
  327    HD2  PHE  47           HD2      PHE  47 -22.804 -44.643  -3.585
  328    HE1  PHE  47           HE1      PHE  47 -21.016 -49.097  -4.882
  329    HE2  PHE  47           HE2      PHE  47 -24.351 -46.443  -4.272
  330    HZ   PHE  47           HZ       PHE  47 -23.467 -48.682  -4.901
  331    H    ALA  48           H        ALA  48 -18.602 -45.057   0.449
  332    HA   ALA  48           HA       ALA  48 -18.498 -42.166   0.708
  333   1HB   ALA  48          HB1       ALA  48 -17.475 -44.335   2.576
  334   2HB   ALA  48          HB2       ALA  48 -17.742 -42.623   2.979
  335   3HB   ALA  48          HB3       ALA  48 -19.118 -43.661   2.575
  336    H    VAL  49           H        VAL  49 -17.075 -42.281  -1.373
  337    HA   VAL  49           HA       VAL  49 -14.173 -42.423  -0.701
  338    HB   VAL  49           HB       VAL  49 -13.931 -41.703  -3.143
  339   1HG1  VAL  49          1HG1      VAL  49 -14.280 -44.016  -3.899
  340   2HG1  VAL  49          2HG1      VAL  49 -13.495 -43.909  -2.307
  341   3HG1  VAL  49          3HG1      VAL  49 -15.216 -44.348  -2.415
  342   1HG2  VAL  49          1HG2      VAL  49 -16.831 -42.596  -3.401
  343   2HG2  VAL  49          2HG2      VAL  49 -16.315 -40.892  -3.433
  344   3HG2  VAL  49          3HG2      VAL  49 -15.738 -42.026  -4.667
  345    H    GLN  50           H        GLN  50 -12.910 -40.442  -1.697
  346    HA   GLN  50           HA       GLN  50 -14.196 -38.034  -0.518
  347   1HB   GLN  50          HB2       GLN  50 -11.939 -37.364   0.191
  348   2HB   GLN  50          HB3       GLN  50 -12.346 -38.951   0.848
  349   1HG   GLN  50          HG2       GLN  50 -10.863 -38.742  -1.791
  350   2HG   GLN  50          HG3       GLN  50 -10.002 -38.434  -0.297
  351   1HE2  GLN  50          1HE2      GLN  50 -10.048 -41.826   0.824
  352   2HE2  GLN  50          2HE2      GLN  50  -9.822 -40.140   1.296
  353    H    GLN  51           H        GLN  51 -13.116 -35.990  -1.093
  354    HA   GLN  51           HA       GLN  51 -12.218 -35.781  -3.909
  355   1HB   GLN  51          HB2       GLN  51 -14.335 -33.938  -2.753
  356   2HB   GLN  51          HB3       GLN  51 -13.779 -34.015  -4.413
  357   1HG   GLN  51          HG2       GLN  51 -14.979 -36.061  -4.824
  358   2HG   GLN  51          HG3       GLN  51 -15.341 -36.300  -3.109
  359   1HE2  GLN  51          1HE2      GLN  51 -17.832 -33.719  -2.893
  360   2HE2  GLN  51          2HE2      GLN  51 -16.492 -34.400  -1.993
  361    H    THR  52           H        THR  52 -10.951 -33.712  -4.130
  362    HA   THR  52           HA       THR  52  -9.597 -32.932  -1.724
  363    HB   THR  52           HB       THR  52  -9.836 -31.422  -4.373
  364    HG1  THR  52           HG1      THR  52  -8.088 -33.532  -3.622
  365   1HG2  THR  52          1HG2      THR  52  -8.734 -30.141  -2.588
  366   2HG2  THR  52          2HG2      THR  52  -7.665 -31.514  -2.226
  367   3HG2  THR  52          3HG2      THR  52  -7.535 -30.665  -3.785
  368    H    CYS  53           H        CYS  53 -10.110 -31.184  -0.297
  369    HA   CYS  53           HA       CYS  53 -12.790 -30.164  -0.430
  370   1HB   CYS  53          HB2       CYS  53 -11.529 -30.546   1.665
  371   2HB   CYS  53          HB3       CYS  53 -10.469 -29.200   1.249
  372    HA   PRO  54           HA       PRO  54 -11.421 -26.867  -3.260
  373   1HB   PRO  54          HB2       PRO  54 -13.808 -25.685  -3.827
  374   2HB   PRO  54          HB3       PRO  54 -13.338 -27.287  -4.467
  375   1HG   PRO  54          HG2       PRO  54 -15.090 -26.717  -2.059
  376   2HG   PRO  54          HG3       PRO  54 -15.409 -27.836  -3.412
  377   1HD   PRO  54          HD2       PRO  54 -14.349 -28.687  -1.050
  378   2HD   PRO  54          HD3       PRO  54 -13.866 -29.410  -2.610
  379    H    HIS  55           H        HIS  55 -13.613 -26.273  -0.509
  380    HA   HIS  55           HA       HIS  55 -13.526 -23.565  -0.234
  381   1HB   HIS  55          HB2       HIS  55 -14.828 -25.218   1.126
  382   2HB   HIS  55          HB3       HIS  55 -13.371 -25.534   2.080
  383    HD1  HIS  55           HD1      HIS  55 -13.011 -22.026   1.729
  384    HD2  HIS  55           HD2      HIS  55 -15.754 -24.530   3.716
  385    HE1  HIS  55           HE1      HIS  55 -14.145 -20.601   3.530
  386    H    CYS  56           H        CYS  56 -10.997 -25.818   0.846
  387    HA   CYS  56           HA       CYS  56  -9.195 -23.499   1.482
  388   1HB   CYS  56          HB2       CYS  56  -8.022 -25.031   2.990
  389   2HB   CYS  56          HB3       CYS  56  -9.682 -24.748   3.505
  390    H    GLN  57           H        GLN  57  -9.774 -25.078  -1.130
  391    HA   GLN  57           HA       GLN  57  -8.616 -26.031  -2.834
  392   1HB   GLN  57          HB2       GLN  57  -6.413 -24.179  -1.818
  393   2HB   GLN  57          HB3       GLN  57  -6.623 -24.798  -3.457
  394   1HG   GLN  57          HG2       GLN  57  -7.395 -22.579  -3.523
  395   2HG   GLN  57          HG3       GLN  57  -8.854 -23.574  -3.551
  396   1HE2  GLN  57          1HE2      GLN  57 -10.170 -22.067  -0.602
  397   2HE2  GLN  57          2HE2      GLN  57 -10.424 -23.114  -1.978
  398    H    GLY  58           H        GLY  58  -8.582 -27.779  -0.707
  399   1HA   GLY  58          HA2       GLY  58  -7.572 -29.735  -0.105
  400   2HA   GLY  58          HA3       GLY  58  -6.339 -29.457  -1.334
  401    H    ARG  59           H        ARG  59  -6.106 -26.742   0.635
  402    HA   ARG  59           HA       ARG  59  -3.674 -27.736   1.878
  403   1HB   ARG  59          HB2       ARG  59  -5.178 -25.141   2.176
  404   2HB   ARG  59          HB3       ARG  59  -3.507 -25.420   2.693
  405   1HG   ARG  59          HG2       ARG  59  -2.806 -25.775   0.367
  406   2HG   ARG  59          HG3       ARG  59  -4.455 -25.495  -0.210
  407   1HD   ARG  59          HD2       ARG  59  -2.792 -23.425   1.309
  408   2HD   ARG  59          HD3       ARG  59  -2.972 -23.515  -0.437
  409    HE   ARG  59           HE       ARG  59  -5.149 -22.774  -0.365
  410   1HH1  ARG  59          1HH1      ARG  59  -3.985 -23.163   2.984
  411   2HH1  ARG  59          2HH1      ARG  59  -5.510 -22.651   3.648
  412   1HH2  ARG  59          1HH2      ARG  59  -7.004 -21.884   0.568
  413   2HH2  ARG  59          2HH2      ARG  59  -7.153 -21.817   2.317
  414    H    GLY  60           H        GLY  60  -6.891 -27.979   2.845
  415   1HA   GLY  60          HA2       GLY  60  -7.942 -28.493   4.833
  416   2HA   GLY  60          HA3       GLY  60  -6.352 -28.920   5.456
  417    H    THR  61           H        THR  61  -6.269 -25.640   4.507
  418    HA   THR  61           HA       THR  61  -6.849 -24.683   7.271
  419    HB   THR  61           HB       THR  61  -4.786 -23.198   6.639
  420    HG1  THR  61           HG1      THR  61  -4.182 -25.500   5.097
  421   1HG2  THR  61          1HG2      THR  61  -3.248 -24.874   7.600
  422   2HG2  THR  61          2HG2      THR  61  -4.794 -24.888   8.470
  423   3HG2  THR  61          3HG2      THR  61  -4.427 -26.163   7.292
  424    H    LEU  62           H        LEU  62  -8.028 -22.894   7.426
  425    HA   LEU  62           HA       LEU  62  -8.776 -21.430   4.940
  426   1HB   LEU  62          HB2       LEU  62 -10.132 -21.656   7.640
  427   2HB   LEU  62          HB3       LEU  62 -10.698 -20.647   6.309
  428    HG   LEU  62           HG       LEU  62 -10.392 -23.680   6.156
  429   1HD1  LEU  62          1HD1      LEU  62 -12.123 -23.030   7.786
  430   2HD1  LEU  62          2HD1      LEU  62 -12.877 -21.966   6.579
  431   3HD1  LEU  62          3HD1      LEU  62 -12.859 -23.722   6.327
  432   1HD2  LEU  62          1HD2      LEU  62 -11.837 -23.427   4.139
  433   2HD2  LEU  62          2HD2      LEU  62 -11.740 -21.659   4.308
  434   3HD2  LEU  62          3HD2      LEU  62 -10.294 -22.599   3.918
  435    H    ILE  63           H        ILE  63  -7.865 -19.583   4.597
  436    HA   ILE  63           HA       ILE  63  -6.397 -18.073   6.610
  437    HB   ILE  63           HB       ILE  63  -7.099 -17.431   3.710
  438   1HG1  ILE  63          2HG1      ILE  63  -5.873 -19.580   3.808
  439   2HG1  ILE  63          3HG1      ILE  63  -4.962 -18.287   3.037
  440   1HG2  ILE  63          1HG2      ILE  63  -4.966 -16.041   3.874
  441   2HG2  ILE  63          2HG2      ILE  63  -6.351 -15.414   4.759
  442   3HG2  ILE  63          3HG2      ILE  63  -5.062 -16.248   5.637
  443   1HD1  ILE  63          1HD1      ILE  63  -3.661 -17.941   5.095
  444   2HD1  ILE  63          2HD1      ILE  63  -4.565 -19.252   5.895
  445   3HD1  ILE  63          3HD1      ILE  63  -3.521 -19.601   4.502
  446    H    LYS  64           H        LYS  64  -8.552 -18.132   7.872
  447    HA   LYS  64           HA       LYS  64 -10.785 -16.547   7.156
  448   1HB   LYS  64          HB2       LYS  64 -10.682 -18.099   9.085
  449   2HB   LYS  64          HB3       LYS  64  -9.538 -17.013   9.893
  450   1HG   LYS  64          HG2       LYS  64 -11.331 -15.225   9.925
  451   2HG   LYS  64          HG3       LYS  64 -12.416 -16.359   9.114
  452   1HD   LYS  64          HD2       LYS  64 -12.980 -16.391  11.429
  453   2HD   LYS  64          HD3       LYS  64 -12.168 -17.918  11.090
  454   1HE   LYS  64          HE2       LYS  64 -10.014 -16.839  12.032
  455   2HE   LYS  64          HE3       LYS  64 -10.998 -15.428  12.440
  456   1HZ   LYS  64          HZ1       LYS  64 -11.303 -18.162  13.472
  457   2HZ   LYS  64          HZ2       LYS  64 -10.770 -16.843  14.291
  458   3HZ   LYS  64          HZ3       LYS  64 -12.343 -16.919  13.804
  459    H    ASP  65           H        ASP  65  -7.780 -15.713   8.819
  460    HA   ASP  65           HA       ASP  65  -8.307 -12.788   8.583
  461   1HB   ASP  65          HB2       ASP  65  -6.815 -12.578  10.488
  462   2HB   ASP  65          HB3       ASP  65  -8.222 -13.574  10.856
  463    HA   PRO  66           HA       PRO  66  -4.910 -13.746   5.643
  464   1HB   PRO  66          HB2       PRO  66  -5.077 -11.545   4.025
  465   2HB   PRO  66          HB3       PRO  66  -6.207 -12.927   3.926
  466   1HG   PRO  66          HG2       PRO  66  -6.614 -10.314   5.397
  467   2HG   PRO  66          HG3       PRO  66  -7.740 -11.120   4.265
  468   1HD   PRO  66          HD2       PRO  66  -7.967 -11.372   6.954
  469   2HD   PRO  66          HD3       PRO  66  -8.307 -12.770   5.888
  470    H    CYS  67           H        CYS  67  -2.810 -13.403   6.011
  471    HA   CYS  67           HA       CYS  67  -1.769 -11.459   7.848
  472   1HB   CYS  67          HB2       CYS  67  -0.691 -13.604   7.405
  473   2HB   CYS  67          HB3       CYS  67  -0.491 -13.190   5.712
  474    H    ASN  68           H        ASN  68  -2.233  -9.382   7.210
  475    HA   ASN  68           HA       ASN  68  -2.502  -8.159   4.827
  476   1HB   ASN  68          HB2       ASN  68  -1.911  -6.065   5.860
  477   2HB   ASN  68          HB3       ASN  68  -2.853  -7.053   6.983
  478   1HD2  ASN  68          1HD2      ASN  68   0.155  -5.446   8.693
  479   2HD2  ASN  68          2HD2      ASN  68  -1.084  -4.782   7.646
  480    H    LYS  69           H        LYS  69   0.690  -8.540   6.413
  481    HA   LYS  69           HA       LYS  69   2.342  -7.206   4.695
  482   1HB   LYS  69          HB2       LYS  69   3.059  -8.314   6.761
  483   2HB   LYS  69          HB3       LYS  69   2.892  -9.903   5.991
  484   1HG   LYS  69          HG2       LYS  69   4.664  -9.345   4.375
  485   2HG   LYS  69          HG3       LYS  69   4.780  -7.702   5.030
  486   1HD   LYS  69          HD2       LYS  69   5.565  -8.571   7.180
  487   2HD   LYS  69          HD3       LYS  69   5.295 -10.240   6.641
  488   1HE   LYS  69          HE2       LYS  69   6.984  -9.916   4.821
  489   2HE   LYS  69          HE3       LYS  69   7.285  -8.273   5.417
  490   1HZ   LYS  69          HZ1       LYS  69   7.987  -9.248   7.496
  491   2HZ   LYS  69          HZ2       LYS  69   7.740 -10.768   6.907
  492   3HZ   LYS  69          HZ3       LYS  69   8.890  -9.804   6.237
  493    H    CYS  70           H        CYS  70   0.952 -10.444   4.062
  494    HA   CYS  70           HA       CYS  70   2.117 -10.344   1.283
  495   1HB   CYS  70          HB2       CYS  70   2.129 -12.777   1.348
  496   2HB   CYS  70          HB3       CYS  70   3.141 -12.105   2.627
  497    H    HIS  71           H        HIS  71  -0.514  -9.383   2.599
  498    HA   HIS  71           HA       HIS  71  -2.757  -9.439   2.232
  499   1HB   HIS  71          HB2       HIS  71  -1.830 -10.046  -0.600
  500   2HB   HIS  71          HB3       HIS  71  -3.412  -9.409  -0.143
  501    HD1  HIS  71           HD1      HIS  71  -1.044  -7.494   1.903
  502    HD2  HIS  71           HD2      HIS  71  -2.242  -7.606  -2.135
  503    HE1  HIS  71           HE1      HIS  71  -0.394  -5.257   0.886
  504    H    GLY  72           H        GLY  72  -1.905 -11.865   3.364
  505   1HA   GLY  72          HA2       GLY  72  -2.852 -13.859   3.835
  506   2HA   GLY  72          HA3       GLY  72  -4.118 -13.554   2.654
  507    H    HIS  73           H        HIS  73  -1.263 -13.370   0.845
  508    HA   HIS  73           HA       HIS  73  -1.824 -15.898  -0.401
  509   1HB   HIS  73          HB2       HIS  73   0.607 -14.080  -0.660
  510   2HB   HIS  73          HB3       HIS  73   0.257 -15.476  -1.683
  511    HD1  HIS  73           HD1      HIS  73  -1.138 -11.990  -0.910
  512    HD2  HIS  73           HD2      HIS  73  -1.594 -15.191  -3.597
  513    HE1  HIS  73           HE1      HIS  73  -2.705 -11.171  -2.776
  514    H    GLY  74           H        GLY  74   0.948 -14.807   1.508
  515   1HA   GLY  74          HA2       GLY  74   1.694 -16.140   3.414
  516   2HA   GLY  74          HA3       GLY  74   1.434 -17.602   2.495
  517    H    ARG  75           H        ARG  75   2.774 -15.627   0.218
  518    HA   ARG  75           HA       ARG  75   5.541 -15.665   1.119
  519   1HB   ARG  75          HB2       ARG  75   6.306 -16.997  -0.838
  520   2HB   ARG  75          HB3       ARG  75   5.369 -17.920   0.331
  521   1HG   ARG  75          HG2       ARG  75   3.372 -17.119  -1.440
  522   2HG   ARG  75          HG3       ARG  75   4.763 -17.235  -2.507
  523   1HD   ARG  75          HD2       ARG  75   3.579 -19.391  -2.423
  524   2HD   ARG  75          HD3       ARG  75   5.190 -19.533  -1.729
  525    HE   ARG  75           HE       ARG  75   4.269 -20.095   0.306
  526   1HH1  ARG  75          1HH1      ARG  75   1.716 -18.598  -1.630
  527   2HH1  ARG  75          2HH1      ARG  75   0.566 -18.577  -0.302
  528   1HH2  ARG  75          1HH2      ARG  75   2.676 -20.115   2.042
  529   2HH2  ARG  75          2HH2      ARG  75   1.066 -19.591   1.689
  530    H    VAL  76           H        VAL  76   6.894 -14.437  -0.370
  531    HA   VAL  76           HA       VAL  76   5.434 -12.745  -2.319
  532    HB   VAL  76           HB       VAL  76   6.341 -10.694  -1.220
  533   1HG1  VAL  76          1HG1      VAL  76   3.985 -11.407  -0.822
  534   2HG1  VAL  76          2HG1      VAL  76   4.519 -12.218   0.668
  535   3HG1  VAL  76          3HG1      VAL  76   4.682 -10.463   0.507
  536   1HG2  VAL  76          1HG2      VAL  76   8.172 -11.718   0.118
  537   2HG2  VAL  76          2HG2      VAL  76   7.090 -10.734   1.110
  538   3HG2  VAL  76          3HG2      VAL  76   6.970 -12.499   1.168
  539    H    GLU  77           H        GLU  77   6.986 -11.267  -3.432
  540    HA   GLU  77           HA       GLU  77   9.497 -12.681  -4.045
  541   1HB   GLU  77          HB2       GLU  77   8.089 -11.642  -5.850
  542   2HB   GLU  77          HB3       GLU  77   8.410 -10.048  -5.134
  543   1HG   GLU  77          HG2       GLU  77  10.854 -10.392  -5.486
  544   2HG   GLU  77          HG3       GLU  77  10.527 -11.992  -6.175
  545    H    ARG  78           H        ARG  78  11.473 -12.010  -3.277
  546    HA   ARG  78           HA       ARG  78  11.672 -10.618  -0.882
  547   1HB   ARG  78          HB2       ARG  78  13.393 -12.096  -1.923
  548   2HB   ARG  78          HB3       ARG  78  13.772 -10.803  -3.066
  549   1HG   ARG  78          HG2       ARG  78  14.319  -9.279  -1.109
  550   2HG   ARG  78          HG3       ARG  78  13.973 -10.610  -0.004
  551   1HD   ARG  78          HD2       ARG  78  16.344 -10.390  -0.282
  552   2HD   ARG  78          HD3       ARG  78  15.862 -11.902  -1.024
  553    HE   ARG  78           HE       ARG  78  16.683  -9.343  -2.344
  554   1HH1  ARG  78          1HH1      ARG  78  15.778 -12.732  -2.796
  555   2HH1  ARG  78          2HH1      ARG  78  16.291 -12.801  -4.462
  556   1HH2  ARG  78          1HH2      ARG  78  17.329  -9.395  -4.561
  557   2HH2  ARG  78          2HH2      ARG  78  17.154 -10.906  -5.427
  558    H    SER  79           H        SER  79  11.189  -8.513  -0.422
  559    HA   SER  79           HA       SER  79  12.215  -6.280  -1.896
  560   1HB   SER  79          HB2       SER  79   9.931  -5.388  -2.519
  561   2HB   SER  79          HB3       SER  79  10.420  -6.791  -3.479
  562    HG   SER  79           HG       SER  79   9.137  -8.103  -2.136
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1  30.336 -19.556 -17.035
    2   1HA   GLY   1          HA2       GLY   1  27.639 -18.376 -17.456
    3   2HA   GLY   1          HA3       GLY   1  28.012 -20.107 -17.331
    4    H    VAL   2           H        VAL   2  29.143 -17.437 -15.284
    5    HA   VAL   2           HA       VAL   2  28.713 -18.777 -12.818
    6    HB   VAL   2           HB       VAL   2  28.961 -15.788 -13.390
    7   1HG1  VAL   2          1HG1      VAL   2  29.334 -17.353 -10.797
    8   2HG1  VAL   2          2HG1      VAL   2  29.767 -15.648 -11.036
    9   3HG1  VAL   2          3HG1      VAL   2  28.074 -16.143 -11.122
   10   1HG2  VAL   2          1HG2      VAL   2  31.058 -17.882 -12.652
   11   2HG2  VAL   2          2HG2      VAL   2  30.920 -17.060 -14.219
   12   3HG2  VAL   2          3HG2      VAL   2  31.346 -16.136 -12.777
   13    H    THR   3           H        THR   3  26.673 -16.452 -14.630
   14    HA   THR   3           HA       THR   3  24.263 -17.499 -13.600
   15    HB   THR   3           HB       THR   3  24.925 -16.222 -11.552
   16    HG1  THR   3           HG1      THR   3  22.804 -16.365 -11.795
   17   1HG2  THR   3          1HG2      THR   3  26.244 -14.407 -12.627
   18   2HG2  THR   3          2HG2      THR   3  24.746 -13.732 -13.307
   19   3HG2  THR   3          3HG2      THR   3  24.973 -13.798 -11.553
   20    H    LYS   4           H        LYS   4  22.665 -15.261 -14.096
   21    HA   LYS   4           HA       LYS   4  23.252 -13.859 -16.503
   22   1HB   LYS   4          HB2       LYS   4  21.717 -15.024 -18.039
   23   2HB   LYS   4          HB3       LYS   4  23.050 -16.064 -17.579
   24   1HG   LYS   4          HG2       LYS   4  21.646 -17.224 -15.916
   25   2HG   LYS   4          HG3       LYS   4  20.257 -16.216 -16.336
   26   1HD   LYS   4          HD2       LYS   4  21.724 -18.066 -18.270
   27   2HD   LYS   4          HD3       LYS   4  20.252 -18.480 -17.379
   28   1HE   LYS   4          HE2       LYS   4  19.068 -16.555 -18.481
   29   2HE   LYS   4          HE3       LYS   4  20.514 -16.269 -19.471
   30   1HZ   LYS   4          HZ1       LYS   4  18.939 -18.738 -19.428
   31   2HZ   LYS   4          HZ2       LYS   4  18.922 -17.589 -20.610
   32   3HZ   LYS   4          HZ3       LYS   4  20.288 -18.471 -20.338
   33    H    GLU   5           H        GLU   5  20.461 -13.659 -17.339
   34    HA   GLU   5           HA       GLU   5  19.413 -12.013 -15.166
   35   1HB   GLU   5          HB2       GLU   5  17.527 -11.664 -16.780
   36   2HB   GLU   5          HB3       GLU   5  19.120 -11.132 -17.325
   37   1HG   GLU   5          HG2       GLU   5  19.337 -13.025 -18.835
   38   2HG   GLU   5          HG3       GLU   5  17.881 -13.790 -18.173
   39    H    ILE   6           H        ILE   6  19.530 -14.061 -13.758
   40    HA   ILE   6           HA       ILE   6  17.482 -16.049 -14.131
   41    HB   ILE   6           HB       ILE   6  18.172 -17.047 -12.137
   42   1HG1  ILE   6          2HG1      ILE   6  18.513 -15.493 -10.418
   43   2HG1  ILE   6          3HG1      ILE   6  20.068 -16.211 -10.741
   44   1HG2  ILE   6          1HG2      ILE   6  20.460 -17.526 -12.668
   45   2HG2  ILE   6          2HG2      ILE   6  19.528 -17.295 -14.154
   46   3HG2  ILE   6          3HG2      ILE   6  20.621 -16.018 -13.583
   47   1HD1  ILE   6          1HD1      ILE   6  19.189 -13.447 -11.673
   48   2HD1  ILE   6          2HD1      ILE   6  20.260 -13.824 -10.318
   49   3HD1  ILE   6          3HD1      ILE   6  20.786 -14.194 -11.960
   50    H    ARG   7           H        ARG   7  15.824 -14.216 -14.471
   51    HA   ARG   7           HA       ARG   7  14.601 -13.225 -11.993
   52   1HB   ARG   7          HB2       ARG   7  14.626 -12.129 -14.339
   53   2HB   ARG   7          HB3       ARG   7  13.261 -13.177 -14.708
   54   1HG   ARG   7          HG2       ARG   7  13.451 -11.124 -12.428
   55   2HG   ARG   7          HG3       ARG   7  12.655 -10.894 -13.982
   56   1HD   ARG   7          HD2       ARG   7  10.860 -11.331 -12.578
   57   2HD   ARG   7          HD3       ARG   7  11.134 -12.872 -13.358
   58    HE   ARG   7           HE       ARG   7  11.889 -13.802 -11.365
   59   1HH1  ARG   7          1HH1      ARG   7  12.230 -13.871  -9.091
   60   2HH1  ARG   7          2HH1      ARG   7  11.762 -12.460  -8.134
   61   1HH2  ARG   7          1HH2      ARG   7  11.038 -10.369 -10.802
   62   2HH2  ARG   7          2HH2      ARG   7  11.106 -10.590  -9.057
   63    H    ILE   8           H        ILE   8  14.788 -15.635 -11.306
   64    HA   ILE   8           HA       ILE   8  12.601 -17.382 -12.186
   65    HB   ILE   8           HB       ILE   8  14.447 -17.540  -9.765
   66   1HG1  ILE   8          2HG1      ILE   8  15.877 -17.542 -11.672
   67   2HG1  ILE   8          3HG1      ILE   8  15.771 -19.184 -11.059
   68   1HG2  ILE   8          1HG2      ILE   8  12.478 -18.963  -9.489
   69   2HG2  ILE   8          2HG2      ILE   8  12.777 -19.728 -11.064
   70   3HG2  ILE   8          3HG2      ILE   8  13.929 -19.937  -9.735
   71   1HD1  ILE   8          1HD1      ILE   8  14.342 -18.087 -13.525
   72   2HD1  ILE   8          2HD1      ILE   8  15.723 -19.189 -13.487
   73   3HD1  ILE   8          3HD1      ILE   8  14.150 -19.741 -12.894
   74    HA   PRO   9           HA       PRO   9   9.757 -15.191  -9.459
   75   1HB   PRO   9          HB2       PRO   9   7.748 -17.037  -9.138
   76   2HB   PRO   9          HB3       PRO   9   8.009 -16.101 -10.635
   77   1HG   PRO   9          HG2       PRO   9   8.982 -18.901 -10.027
   78   2HG   PRO   9          HG3       PRO   9   8.113 -18.338 -11.487
   79   1HD   PRO   9          HD2       PRO   9  10.795 -18.594 -11.473
   80   2HD   PRO   9          HD3       PRO   9  10.051 -17.184 -12.280
   81    H    THR  10           H        THR  10  11.235 -15.089  -7.756
   82    HA   THR  10           HA       THR  10  12.007 -17.209  -6.101
   83    HB   THR  10           HB       THR  10  12.174 -14.309  -5.281
   84    HG1  THR  10           HG1      THR  10  13.197 -15.409  -7.656
   85   1HG2  THR  10          1HG2      THR  10  13.369 -16.051  -3.965
   86   2HG2  THR  10          2HG2      THR  10  14.244 -16.550  -5.433
   87   3HG2  THR  10          3HG2      THR  10  14.487 -14.927  -4.754
   88    H    LEU  11           H        LEU  11   9.568 -17.863  -5.796
   89    HA   LEU  11           HA       LEU  11   8.073 -16.450  -3.778
   90   1HB   LEU  11          HB2       LEU  11   7.860 -19.333  -4.700
   91   2HB   LEU  11          HB3       LEU  11   6.744 -18.498  -3.613
   92    HG   LEU  11           HG       LEU  11   7.227 -17.940  -6.561
   93   1HD1  LEU  11          1HD1      LEU  11   4.812 -18.410  -6.675
   94   2HD1  LEU  11          2HD1      LEU  11   5.661 -19.752  -5.877
   95   3HD1  LEU  11          3HD1      LEU  11   4.751 -18.574  -4.904
   96   1HD2  LEU  11          1HD2      LEU  11   7.076 -15.733  -5.628
   97   2HD2  LEU  11          2HD2      LEU  11   5.479 -16.110  -6.268
   98   3HD2  LEU  11          3HD2      LEU  11   5.772 -16.201  -4.515
   99    H    GLU  12           H        GLU  12   8.785 -16.124  -1.829
  100    HA   GLU  12           HA       GLU  12  10.072 -18.369  -0.300
  101   1HB   GLU  12          HB2       GLU  12  10.544 -15.374  -0.074
  102   2HB   GLU  12          HB3       GLU  12  11.170 -16.598   1.041
  103   1HG   GLU  12          HG2       GLU  12  12.349 -17.718  -0.872
  104   2HG   GLU  12          HG3       GLU  12  11.815 -16.412  -1.938
  105    H    GLU  13           H        GLU  13   9.352 -18.661   1.810
  106    HA   GLU  13           HA       GLU  13   6.604 -18.163   2.213
  107   1HB   GLU  13          HB2       GLU  13   6.849 -19.207   4.325
  108   2HB   GLU  13          HB3       GLU  13   7.849 -20.085   3.174
  109   1HG   GLU  13          HG2       GLU  13   9.864 -18.955   4.147
  110   2HG   GLU  13          HG3       GLU  13   8.814 -18.071   5.273
  111    H    CYS  14           H        CYS  14   5.459 -16.637   3.384
  112    HA   CYS  14           HA       CYS  14   6.833 -14.141   4.016
  113   1HB   CYS  14          HB2       CYS  14   4.578 -14.199   3.059
  114   2HB   CYS  14          HB3       CYS  14   4.020 -15.111   4.456
  115    H    ASP  15           H        ASP  15   8.226 -14.444   5.670
  116    HA   ASP  15           HA       ASP  15   8.198 -16.130   7.834
  117   1HB   ASP  15          HB2       ASP  15   9.786 -14.646   8.876
  118   2HB   ASP  15          HB3       ASP  15  10.103 -14.692   7.139
  119    H    VAL  16           H        VAL  16   6.698 -12.930   7.632
  120    HA   VAL  16           HA       VAL  16   5.861 -12.527  10.261
  121    HB   VAL  16           HB       VAL  16   4.584 -11.725   7.618
  122   1HG1  VAL  16          1HG1      VAL  16   4.133 -10.510  10.353
  123   2HG1  VAL  16          2HG1      VAL  16   3.504  -9.897   8.812
  124   3HG1  VAL  16          3HG1      VAL  16   2.924 -11.446   9.426
  125   1HG2  VAL  16          1HG2      VAL  16   6.883 -10.872   7.885
  126   2HG2  VAL  16          2HG2      VAL  16   5.752  -9.544   8.157
  127   3HG2  VAL  16          3HG2      VAL  16   6.523 -10.337   9.534
  128    H    CYS  17           H        CYS  17   4.488 -14.810   7.926
  129    HA   CYS  17           HA       CYS  17   2.513 -15.674  10.028
  130   1HB   CYS  17          HB2       CYS  17   1.024 -16.299   8.233
  131   2HB   CYS  17          HB3       CYS  17   1.325 -14.559   8.257
  132    H    HIS  18           H        HIS  18   5.399 -16.448   9.110
  133    HA   HIS  18           HA       HIS  18   6.621 -18.235   8.561
  134   1HB   HIS  18          HB2       HIS  18   5.716 -18.634  10.904
  135   2HB   HIS  18          HB3       HIS  18   4.607 -19.811  10.195
  136    HD1  HIS  18           HD1      HIS  18   6.406 -21.459   8.349
  137    HD2  HIS  18           HD2      HIS  18   7.695 -19.870  12.020
  138    HE1  HIS  18           HE1      HIS  18   8.460 -22.835   9.070
  139    H    GLY  19           H        GLY  19   4.967 -17.591   6.451
  140   1HA   GLY  19          HA2       GLY  19   4.629 -18.576   4.378
  141   2HA   GLY  19          HA3       GLY  19   4.941 -20.162   5.058
  142    H    SER  20           H        SER  20   2.538 -19.234   7.106
  143    HA   SER  20           HA       SER  20   0.663 -20.906   5.669
  144   1HB   SER  20          HB2       SER  20  -0.892 -20.425   7.486
  145   2HB   SER  20          HB3       SER  20   0.683 -20.919   8.109
  146    HG   SER  20           HG       SER  20   1.106 -18.781   8.658
  147    H    GLY  21           H        GLY  21   0.241 -17.678   6.869
  148   1HA   GLY  21          HA2       GLY  21  -0.412 -15.845   5.133
  149   2HA   GLY  21          HA3       GLY  21  -1.732 -16.953   4.746
  150    H    ALA  22           H        ALA  22  -1.191 -17.585   7.980
  151    HA   ALA  22           HA       ALA  22  -3.467 -15.995   8.836
  152   1HB   ALA  22          HB1       ALA  22  -3.109 -18.333   9.511
  153   2HB   ALA  22          HB2       ALA  22  -1.603 -17.873  10.340
  154   3HB   ALA  22          HB3       ALA  22  -3.166 -17.259  10.914
  155    H    LYS  23           H        LYS  23  -3.320 -14.048   9.939
  156    HA   LYS  23           HA       LYS  23  -0.975 -12.581   9.919
  157   1HB   LYS  23          HB2       LYS  23  -2.148 -10.859  11.032
  158   2HB   LYS  23          HB3       LYS  23  -3.334 -11.741  10.081
  159   1HG   LYS  23          HG2       LYS  23  -3.953 -13.022  12.163
  160   2HG   LYS  23          HG3       LYS  23  -2.883 -11.985  13.102
  161   1HD   LYS  23          HD2       LYS  23  -5.256 -11.003  11.446
  162   2HD   LYS  23          HD3       LYS  23  -5.268 -11.306  13.194
  163   1HE   LYS  23          HE2       LYS  23  -3.447  -9.603  13.479
  164   2HE   LYS  23          HE3       LYS  23  -3.561  -9.227  11.746
  165   1HZ   LYS  23          HZ1       LYS  23  -4.836  -7.725  13.055
  166   2HZ   LYS  23          HZ2       LYS  23  -5.834  -8.610  12.088
  167   3HZ   LYS  23          HZ3       LYS  23  -5.728  -8.951  13.698
  168    HA   PRO  24           HA       PRO  24   1.827 -13.399  13.110
  169   1HB   PRO  24          HB2       PRO  24   1.081 -10.723  14.340
  170   2HB   PRO  24          HB3       PRO  24   2.705 -11.478  14.239
  171   1HG   PRO  24          HG2       PRO  24   2.031  -9.707  12.332
  172   2HG   PRO  24          HG3       PRO  24   2.694 -11.302  11.848
  173   1HD   PRO  24          HD2       PRO  24  -0.193 -10.435  11.921
  174   2HD   PRO  24          HD3       PRO  24   0.684 -11.287  10.611
  175    H    GLY  25           H        GLY  25   1.891 -14.549  14.955
  176   1HA   GLY  25          HA2       GLY  25   1.217 -15.704  16.786
  177   2HA   GLY  25          HA3       GLY  25   0.587 -14.157  17.372
  178    H    THR  26           H        THR  26  -0.864 -15.430  14.413
  179    HA   THR  26           HA       THR  26  -3.199 -16.466  15.963
  180    HB   THR  26           HB       THR  26  -3.294 -14.884  13.384
  181    HG1  THR  26           HG1      THR  26  -2.430 -13.568  15.065
  182   1HG2  THR  26          1HG2      THR  26  -5.653 -14.527  14.048
  183   2HG2  THR  26          2HG2      THR  26  -5.298 -16.262  13.942
  184   3HG2  THR  26          3HG2      THR  26  -5.390 -15.465  15.530
  185    H    GLN  27           H        GLN  27  -3.964 -18.337  15.250
  186    HA   GLN  27           HA       GLN  27  -2.445 -19.771  13.189
  187   1HB   GLN  27          HB2       GLN  27  -3.333 -21.745  14.099
  188   2HB   GLN  27          HB3       GLN  27  -2.882 -20.732  15.465
  189   1HG   GLN  27          HG2       GLN  27  -5.727 -21.190  14.421
  190   2HG   GLN  27          HG3       GLN  27  -4.972 -21.978  15.796
  191   1HE2  GLN  27          1HE2      GLN  27  -6.388 -18.149  16.231
  192   2HE2  GLN  27          2HE2      GLN  27  -6.113 -18.796  14.609
  193    HA   PRO  28           HA       PRO  28  -5.810 -19.322  10.238
  194   1HB   PRO  28          HB2       PRO  28  -5.477 -21.424   8.601
  195   2HB   PRO  28          HB3       PRO  28  -4.307 -20.079   8.613
  196   1HG   PRO  28          HG2       PRO  28  -4.052 -22.717  10.086
  197   2HG   PRO  28          HG3       PRO  28  -2.824 -21.927   9.053
  198   1HD   PRO  28          HD2       PRO  28  -2.840 -21.698  11.763
  199   2HD   PRO  28          HD3       PRO  28  -2.359 -20.314  10.739
  200    H    GLN  29           H        GLN  29  -7.885 -20.473   9.772
  201    HA   GLN  29           HA       GLN  29  -8.606 -22.129  12.133
  202   1HB   GLN  29          HB2       GLN  29 -10.358 -20.881  10.000
  203   2HB   GLN  29          HB3       GLN  29 -10.880 -21.624  11.519
  204   1HG   GLN  29          HG2       GLN  29  -9.149 -19.108  11.237
  205   2HG   GLN  29          HG3       GLN  29 -10.852 -19.174  11.682
  206   1HE2  GLN  29          1HE2      GLN  29  -8.060 -19.770  14.569
  207   2HE2  GLN  29          2HE2      GLN  29  -7.533 -19.452  12.929
  208    H    THR  30           H        THR  30  -8.348 -24.311  11.968
  209    HA   THR  30           HA       THR  30  -7.830 -25.809   9.764
  210    HB   THR  30           HB       THR  30  -9.600 -26.756  12.059
  211    HG1  THR  30           HG1      THR  30  -7.629 -26.848  13.255
  212   1HG2  THR  30          1HG2      THR  30  -8.161 -28.771  11.914
  213   2HG2  THR  30          2HG2      THR  30  -8.943 -28.437  10.359
  214   3HG2  THR  30          3HG2      THR  30  -7.229 -28.023  10.600
  215    H    CYS  31           H        CYS  31  -9.037 -26.386   7.938
  216    HA   CYS  31           HA       CYS  31 -11.695 -25.445   7.611
  217   1HB   CYS  31          HB2       CYS  31 -10.148 -25.887   5.749
  218   2HB   CYS  31          HB3       CYS  31 -10.264 -27.615   6.078
  219    HA   PRO  32           HA       PRO  32 -13.372 -28.873  10.050
  220   1HB   PRO  32          HB2       PRO  32 -15.987 -28.161  10.204
  221   2HB   PRO  32          HB3       PRO  32 -14.679 -27.293  11.071
  222   1HG   PRO  32          HG2       PRO  32 -15.942 -26.516   8.424
  223   2HG   PRO  32          HG3       PRO  32 -15.690 -25.487   9.861
  224   1HD   PRO  32          HD2       PRO  32 -13.935 -25.523   7.778
  225   2HD   PRO  32          HD3       PRO  32 -13.377 -25.330   9.464
  226    H    THR  33           H        THR  33 -14.818 -27.800   6.931
  227    HA   THR  33           HA       THR  33 -16.441 -29.839   6.243
  228    HB   THR  33           HB       THR  33 -14.443 -28.651   4.294
  229    HG1  THR  33           HG1      THR  33 -16.631 -27.277   5.456
  230   1HG2  THR  33          1HG2      THR  33 -16.226 -30.100   3.371
  231   2HG2  THR  33          2HG2      THR  33 -17.462 -29.087   4.145
  232   3HG2  THR  33          3HG2      THR  33 -16.432 -28.412   2.865
  233    H    CYS  34           H        CYS  34 -12.876 -29.886   6.084
  234    HA   CYS  34           HA       CYS  34 -12.941 -32.793   5.293
  235   1HB   CYS  34          HB2       CYS  34 -10.681 -32.378   4.423
  236   2HB   CYS  34          HB3       CYS  34 -11.965 -31.562   3.534
  237    H    HIS  35           H        HIS  35 -12.886 -31.151   8.037
  238    HA   HIS  35           HA       HIS  35 -11.843 -31.296  10.060
  239   1HB   HIS  35          HB2       HIS  35 -11.260 -34.156   9.175
  240   2HB   HIS  35          HB3       HIS  35 -11.290 -33.548  10.828
  241    HD1  HIS  35           HD1      HIS  35 -14.287 -32.065   9.382
  242    HD2  HIS  35           HD2      HIS  35 -13.058 -35.898  10.619
  243    HE1  HIS  35           HE1      HIS  35 -16.403 -33.409   9.803
  244    H    GLY  36           H        GLY  36 -10.243 -30.077   8.143
  245   1HA   GLY  36          HA2       GLY  36  -8.081 -29.348   7.919
  246   2HA   GLY  36          HA3       GLY  36  -7.597 -30.392   9.257
  247    H    SER  37           H        SER  37  -8.939 -32.599   7.187
  248    HA   SER  37           HA       SER  37  -6.433 -33.649   6.383
  249   1HB   SER  37          HB2       SER  37  -9.118 -34.439   5.209
  250   2HB   SER  37          HB3       SER  37  -7.675 -35.436   5.469
  251    HG   SER  37           HG       SER  37  -9.540 -34.419   7.336
  252    H    GLY  38           H        GLY  38  -8.171 -31.143   4.949
  253   1HA   GLY  38          HA2       GLY  38  -7.906 -29.961   2.994
  254   2HA   GLY  38          HA3       GLY  38  -6.434 -30.893   2.703
  255    H    GLN  39           H        GLN  39  -9.217 -32.936   3.052
  256    HA   GLN  39           HA       GLN  39  -9.843 -32.890   0.180
  257   1HB   GLN  39          HB2       GLN  39  -9.322 -35.250  -0.102
  258   2HB   GLN  39          HB3       GLN  39  -7.891 -34.347   0.405
  259   1HG   GLN  39          HG2       GLN  39  -8.650 -35.123   2.854
  260   2HG   GLN  39          HG3       GLN  39  -9.543 -36.349   1.954
  261   1HE2  GLN  39          1HE2      GLN  39  -5.430 -36.432   2.187
  262   2HE2  GLN  39          2HE2      GLN  39  -6.317 -35.001   2.701
  263    H    VAL  40           H        VAL  40 -11.786 -33.703  -0.316
  264    HA   VAL  40           HA       VAL  40 -13.728 -34.225   1.898
  265    HB   VAL  40           HB       VAL  40 -15.363 -33.846  -0.047
  266   1HG1  VAL  40          1HG1      VAL  40 -13.630 -31.509   0.812
  267   2HG1  VAL  40          2HG1      VAL  40 -15.261 -31.413   0.101
  268   3HG1  VAL  40          3HG1      VAL  40 -15.029 -32.182   1.685
  269   1HG2  VAL  40          1HG2      VAL  40 -14.661 -32.694  -2.022
  270   2HG2  VAL  40          2HG2      VAL  40 -13.014 -32.476  -1.425
  271   3HG2  VAL  40          3HG2      VAL  40 -13.583 -34.092  -1.880
  272    H    GLN  41           H        GLN  41 -15.138 -36.063   1.640
  273    HA   GLN  41           HA       GLN  41 -14.379 -38.009  -0.458
  274   1HB   GLN  41          HB2       GLN  41 -13.445 -38.695   1.762
  275   2HB   GLN  41          HB3       GLN  41 -15.114 -38.818   2.355
  276   1HG   GLN  41          HG2       GLN  41 -15.586 -40.394   0.393
  277   2HG   GLN  41          HG3       GLN  41 -13.867 -40.353   0.006
  278   1HE2  GLN  41          1HE2      GLN  41 -13.000 -42.182   3.074
  279   2HE2  GLN  41          2HE2      GLN  41 -12.459 -40.758   2.204
  280    H    MET  42           H        MET  42 -16.044 -38.310  -1.742
  281    HA   MET  42           HA       MET  42 -18.831 -37.787  -0.790
  282   1HB   MET  42          HB2       MET  42 -17.550 -37.741  -3.547
  283   2HB   MET  42          HB3       MET  42 -19.301 -37.709  -3.259
  284   1HG   MET  42          HG2       MET  42 -19.108 -35.654  -1.955
  285   2HG   MET  42          HG3       MET  42 -17.350 -35.695  -2.078
  286   1HE   MET  42          HE1       MET  42 -19.949 -36.393  -5.049
  287   2HE   MET  42          HE2       MET  42 -20.723 -35.167  -4.010
  288   3HE   MET  42          HE3       MET  42 -20.145 -34.729  -5.634
  289    H    ARG  43           H        ARG  43 -19.999 -39.521  -0.369
  290    HA   ARG  43           HA       ARG  43 -19.228 -42.211  -1.350
  291   1HB   ARG  43          HB2       ARG  43 -21.286 -41.348   0.722
  292   2HB   ARG  43          HB3       ARG  43 -20.878 -42.985   0.227
  293   1HG   ARG  43          HG2       ARG  43 -18.380 -42.043   0.933
  294   2HG   ARG  43          HG3       ARG  43 -19.409 -41.088   1.996
  295   1HD   ARG  43          HD2       ARG  43 -18.820 -43.048   3.202
  296   2HD   ARG  43          HD3       ARG  43 -20.500 -43.294   2.745
  297    HE   ARG  43           HE       ARG  43 -18.033 -44.579   1.668
  298   1HH1  ARG  43          1HH1      ARG  43 -18.170 -46.371   0.333
  299   2HH1  ARG  43          2HH1      ARG  43 -19.709 -47.009  -0.183
  300   1HH2  ARG  43          1HH2      ARG  43 -21.582 -44.634   1.677
  301   2HH2  ARG  43          2HH2      ARG  43 -21.699 -45.975   0.572
  302    H    GLN  44           H        GLN  44 -20.154 -42.783  -3.278
  303    HA   GLN  44           HA       GLN  44 -22.782 -41.604  -4.055
  304   1HB   GLN  44          HB2       GLN  44 -22.442 -42.803  -6.176
  305   2HB   GLN  44          HB3       GLN  44 -21.319 -41.503  -5.885
  306   1HG   GLN  44          HG2       GLN  44 -20.636 -44.438  -5.351
  307   2HG   GLN  44          HG3       GLN  44 -20.452 -43.683  -6.929
  308   1HE2  GLN  44          1HE2      GLN  44 -17.955 -41.458  -4.758
  309   2HE2  GLN  44          2HE2      GLN  44 -19.674 -41.184  -4.847
  310    H    GLY  45           H        GLY  45 -23.168 -42.869  -1.853
  311   1HA   GLY  45          HA2       GLY  45 -24.524 -44.417  -0.861
  312   2HA   GLY  45          HA3       GLY  45 -25.026 -44.961  -2.466
  313    H    PHE  46           H        PHE  46 -23.273 -46.301  -3.636
  314    HA   PHE  46           HA       PHE  46 -22.594 -48.543  -1.855
  315   1HB   PHE  46          HB2       PHE  46 -22.020 -49.733  -3.924
  316   2HB   PHE  46          HB3       PHE  46 -23.677 -49.170  -3.836
  317    HD1  PHE  46           HD1      PHE  46 -20.716 -49.243  -5.870
  318    HD2  PHE  46           HD2      PHE  46 -24.421 -47.141  -5.205
  319    HE1  PHE  46           HE1      PHE  46 -20.460 -48.095  -8.043
  320    HE2  PHE  46           HE2      PHE  46 -24.131 -45.958  -7.351
  321    HZ   PHE  46           HZ       PHE  46 -22.141 -46.414  -8.773
  322    H    PHE  47           H        PHE  47 -20.690 -46.860  -4.408
  323    HA   PHE  47           HA       PHE  47 -18.203 -47.383  -2.832
  324   1HB   PHE  47          HB2       PHE  47 -18.625 -46.336  -5.650
  325   2HB   PHE  47          HB3       PHE  47 -17.063 -46.663  -4.915
  326    HD1  PHE  47           HD1      PHE  47 -17.734 -47.736  -7.519
  327    HD2  PHE  47           HD2      PHE  47 -18.400 -49.429  -3.595
  328    HE1  PHE  47           HE1      PHE  47 -17.778 -50.015  -8.491
  329    HE2  PHE  47           HE2      PHE  47 -18.429 -51.680  -4.576
  330    HZ   PHE  47           HZ       PHE  47 -18.144 -51.989  -7.026
  331    H    ALA  48           H        ALA  48 -16.521 -45.534  -3.085
  332    HA   ALA  48           HA       ALA  48 -17.707 -42.875  -2.830
  333   1HB   ALA  48          HB1       ALA  48 -17.745 -43.844  -0.522
  334   2HB   ALA  48          HB2       ALA  48 -16.005 -44.171  -0.642
  335   3HB   ALA  48          HB3       ALA  48 -16.595 -42.496  -0.658
  336    H    VAL  49           H        VAL  49 -16.105 -41.209  -2.954
  337    HA   VAL  49           HA       VAL  49 -13.346 -41.955  -3.528
  338    HB   VAL  49           HB       VAL  49 -13.645 -40.143  -5.559
  339   1HG1  VAL  49          1HG1      VAL  49 -13.808 -43.162  -5.752
  340   2HG1  VAL  49          2HG1      VAL  49 -13.321 -42.048  -7.055
  341   3HG1  VAL  49          3HG1      VAL  49 -12.343 -42.161  -5.576
  342   1HG2  VAL  49          1HG2      VAL  49 -15.490 -40.693  -6.985
  343   2HG2  VAL  49          2HG2      VAL  49 -16.088 -41.920  -5.859
  344   3HG2  VAL  49          3HG2      VAL  49 -16.138 -40.191  -5.413
  345    H    GLN  50           H        GLN  50 -12.008 -39.994  -3.767
  346    HA   GLN  50           HA       GLN  50 -13.079 -37.824  -2.104
  347   1HB   GLN  50          HB2       GLN  50 -11.124 -37.798  -0.738
  348   2HB   GLN  50          HB3       GLN  50 -11.574 -39.499  -0.836
  349   1HG   GLN  50          HG2       GLN  50  -9.431 -38.085  -2.492
  350   2HG   GLN  50          HG3       GLN  50  -9.147 -39.052  -1.049
  351   1HE2  GLN  50          1HE2      GLN  50  -9.757 -40.943  -4.635
  352   2HE2  GLN  50          2HE2      GLN  50 -10.059 -39.210  -4.485
  353    H    GLN  51           H        GLN  51 -12.107 -35.777  -2.280
  354    HA   GLN  51           HA       GLN  51 -10.406 -35.310  -4.667
  355   1HB   GLN  51          HB2       GLN  51 -12.931 -33.669  -4.217
  356   2HB   GLN  51          HB3       GLN  51 -11.816 -33.627  -5.570
  357   1HG   GLN  51          HG2       GLN  51 -13.719 -34.711  -6.410
  358   2HG   GLN  51          HG3       GLN  51 -12.534 -35.995  -6.164
  359   1HE2  GLN  51          1HE2      GLN  51 -15.664 -35.786  -3.438
  360   2HE2  GLN  51          2HE2      GLN  51 -14.879 -34.301  -3.943
  361    H    THR  52           H        THR  52  -9.433 -33.102  -4.579
  362    HA   THR  52           HA       THR  52  -8.533 -32.365  -2.026
  363    HB   THR  52           HB       THR  52  -8.755 -30.607  -4.517
  364    HG1  THR  52           HG1      THR  52  -6.773 -31.652  -5.096
  365   1HG2  THR  52          1HG2      THR  52  -6.673 -30.804  -2.296
  366   2HG2  THR  52          2HG2      THR  52  -6.569 -29.732  -3.711
  367   3HG2  THR  52          3HG2      THR  52  -7.856 -29.492  -2.517
  368    H    CYS  53           H        CYS  53  -9.352 -30.829  -0.501
  369    HA   CYS  53           HA       CYS  53 -12.134 -30.132  -0.764
  370   1HB   CYS  53          HB2       CYS  53 -11.107 -30.586   1.406
  371   2HB   CYS  53          HB3       CYS  53 -10.078 -29.159   1.220
  372    HA   PRO  54           HA       PRO  54 -11.020 -26.421  -3.149
  373   1HB   PRO  54          HB2       PRO  54 -13.513 -25.426  -3.683
  374   2HB   PRO  54          HB3       PRO  54 -12.829 -26.859  -4.502
  375   1HG   PRO  54          HG2       PRO  54 -14.734 -26.820  -2.149
  376   2HG   PRO  54          HG3       PRO  54 -14.849 -27.789  -3.643
  377   1HD   PRO  54          HD2       PRO  54 -13.813 -28.806  -1.344
  378   2HD   PRO  54          HD3       PRO  54 -13.149 -29.257  -2.940
  379    H    HIS  55           H        HIS  55 -13.400 -26.320  -0.481
  380    HA   HIS  55           HA       HIS  55 -13.574 -23.661   0.073
  381   1HB   HIS  55          HB2       HIS  55 -14.754 -25.569   1.197
  382   2HB   HIS  55          HB3       HIS  55 -13.312 -25.827   2.188
  383    HD1  HIS  55           HD1      HIS  55 -13.201 -22.338   2.337
  384    HD2  HIS  55           HD2      HIS  55 -15.992 -25.199   3.655
  385    HE1  HIS  55           HE1      HIS  55 -14.557 -21.238   4.208
  386    H    CYS  56           H        CYS  56 -10.814 -25.735   0.901
  387    HA   CYS  56           HA       CYS  56  -9.307 -23.322   1.867
  388   1HB   CYS  56          HB2       CYS  56  -8.067 -24.871   3.331
  389   2HB   CYS  56          HB3       CYS  56  -9.770 -24.767   3.749
  390    H    GLN  57           H        GLN  57  -9.607 -24.695  -0.879
  391    HA   GLN  57           HA       GLN  57  -8.291 -25.459  -2.587
  392   1HB   GLN  57          HB2       GLN  57  -6.388 -23.450  -1.303
  393   2HB   GLN  57          HB3       GLN  57  -6.289 -24.028  -2.970
  394   1HG   GLN  57          HG2       GLN  57  -8.671 -22.478  -1.839
  395   2HG   GLN  57          HG3       GLN  57  -7.323 -21.782  -2.737
  396   1HE2  GLN  57          1HE2      GLN  57 -10.259 -23.715  -4.795
  397   2HE2  GLN  57          2HE2      GLN  57 -10.290 -23.683  -3.036
  398    H    GLY  58           H        GLY  58  -8.215 -27.315  -0.563
  399   1HA   GLY  58          HA2       GLY  58  -7.079 -29.221  -0.039
  400   2HA   GLY  58          HA3       GLY  58  -5.816 -28.767  -1.187
  401    H    ARG  59           H        ARG  59  -5.869 -26.185   0.932
  402    HA   ARG  59           HA       ARG  59  -3.424 -27.093   2.203
  403   1HB   ARG  59          HB2       ARG  59  -5.020 -24.545   2.657
  404   2HB   ARG  59          HB3       ARG  59  -3.339 -24.852   3.108
  405   1HG   ARG  59          HG2       ARG  59  -2.778 -25.150   0.661
  406   2HG   ARG  59          HG3       ARG  59  -4.451 -24.726   0.260
  407   1HD   ARG  59          HD2       ARG  59  -3.144 -22.750   0.003
  408   2HD   ARG  59          HD3       ARG  59  -4.177 -22.556   1.438
  409    HE   ARG  59           HE       ARG  59  -1.599 -23.640   2.139
  410   1HH1  ARG  59          1HH1      ARG  59  -0.022 -22.294   3.144
  411   2HH1  ARG  59          2HH1      ARG  59  -0.311 -20.568   3.238
  412   1HH2  ARG  59          1HH2      ARG  59  -3.218 -20.610   1.276
  413   2HH2  ARG  59          2HH2      ARG  59  -1.966 -19.589   1.952
  414    H    GLY  60           H        GLY  60  -6.654 -27.559   3.037
  415   1HA   GLY  60          HA2       GLY  60  -7.695 -28.361   4.943
  416   2HA   GLY  60          HA3       GLY  60  -6.090 -28.657   5.604
  417    H    THR  61           H        THR  61  -6.057 -25.390   4.923
  418    HA   THR  61           HA       THR  61  -7.032 -24.578   7.613
  419    HB   THR  61           HB       THR  61  -4.915 -23.023   7.281
  420    HG1  THR  61           HG1      THR  61  -4.122 -25.295   5.770
  421   1HG2  THR  61          1HG2      THR  61  -4.654 -25.978   7.999
  422   2HG2  THR  61          2HG2      THR  61  -3.516 -24.688   8.445
  423   3HG2  THR  61          3HG2      THR  61  -5.166 -24.678   9.098
  424    H    LEU  62           H        LEU  62  -8.214 -22.769   7.665
  425    HA   LEU  62           HA       LEU  62  -8.735 -21.302   5.131
  426   1HB   LEU  62          HB2       LEU  62 -10.264 -21.377   7.756
  427   2HB   LEU  62          HB3       LEU  62 -10.728 -20.470   6.321
  428    HG   LEU  62           HG       LEU  62 -10.470 -23.510   6.403
  429   1HD1  LEU  62          1HD1      LEU  62 -12.251 -22.761   7.912
  430   2HD1  LEU  62          2HD1      LEU  62 -12.928 -21.723   6.639
  431   3HD1  LEU  62          3HD1      LEU  62 -12.956 -23.488   6.454
  432   1HD2  LEU  62          1HD2      LEU  62 -10.255 -22.524   4.116
  433   2HD2  LEU  62          2HD2      LEU  62 -11.773 -23.404   4.310
  434   3HD2  LEU  62          3HD2      LEU  62 -11.758 -21.624   4.372
  435    H    ILE  63           H        ILE  63  -7.712 -19.464   4.883
  436    HA   ILE  63           HA       ILE  63  -6.307 -18.123   7.045
  437    HB   ILE  63           HB       ILE  63  -6.752 -17.304   4.142
  438   1HG1  ILE  63          2HG1      ILE  63  -5.654 -19.524   4.218
  439   2HG1  ILE  63          3HG1      ILE  63  -4.612 -18.250   3.599
  440   1HG2  ILE  63          1HG2      ILE  63  -4.502 -16.102   4.655
  441   2HG2  ILE  63          2HG2      ILE  63  -5.995 -15.396   5.262
  442   3HG2  ILE  63          3HG2      ILE  63  -4.939 -16.308   6.359
  443   1HD1  ILE  63          1HD1      ILE  63  -4.508 -19.433   6.393
  444   2HD1  ILE  63          2HD1      ILE  63  -3.351 -19.692   5.075
  445   3HD1  ILE  63          3HD1      ILE  63  -3.490 -18.090   5.815
  446    H    LYS  64           H        LYS  64  -8.481 -18.054   8.207
  447    HA   LYS  64           HA       LYS  64 -10.509 -16.226   7.412
  448   1HB   LYS  64          HB2       LYS  64 -10.690 -18.020   9.175
  449   2HB   LYS  64          HB3       LYS  64  -9.652 -17.049  10.218
  450   1HG   LYS  64          HG2       LYS  64 -11.994 -16.803  10.855
  451   2HG   LYS  64          HG3       LYS  64 -11.312 -15.268  10.340
  452   1HD   LYS  64          HD2       LYS  64 -13.614 -15.610   9.510
  453   2HD   LYS  64          HD3       LYS  64 -12.463 -15.357   8.208
  454   1HE   LYS  64          HE2       LYS  64 -14.101 -17.139   7.683
  455   2HE   LYS  64          HE3       LYS  64 -12.454 -17.774   7.689
  456   1HZ   LYS  64          HZ1       LYS  64 -14.388 -18.004   9.893
  457   2HZ   LYS  64          HZ2       LYS  64 -13.979 -19.202   8.838
  458   3HZ   LYS  64          HZ3       LYS  64 -12.858 -18.617   9.892
  459    H    ASP  65           H        ASP  65  -7.510 -15.864   9.169
  460    HA   ASP  65           HA       ASP  65  -7.794 -12.932   9.598
  461   1HB   ASP  65          HB2       ASP  65  -6.081 -13.323  11.298
  462   2HB   ASP  65          HB3       ASP  65  -7.534 -14.279  11.585
  463    HA   PRO  66           HA       PRO  66  -4.842 -13.697   6.066
  464   1HB   PRO  66          HB2       PRO  66  -5.410 -11.477   4.531
  465   2HB   PRO  66          HB3       PRO  66  -6.334 -13.005   4.490
  466   1HG   PRO  66          HG2       PRO  66  -6.961 -10.528   6.119
  467   2HG   PRO  66          HG3       PRO  66  -8.063 -11.432   5.034
  468   1HD   PRO  66          HD2       PRO  66  -8.105 -11.897   7.668
  469   2HD   PRO  66          HD3       PRO  66  -8.139 -13.283   6.536
  470    H    CYS  67           H        CYS  67  -2.821 -13.334   6.290
  471    HA   CYS  67           HA       CYS  67  -1.611 -11.162   7.741
  472   1HB   CYS  67          HB2       CYS  67  -0.596 -13.382   7.608
  473   2HB   CYS  67          HB3       CYS  67  -0.556 -13.289   5.848
  474    H    ASN  68           H        ASN  68  -2.271  -9.257   6.783
  475    HA   ASN  68           HA       ASN  68  -2.655  -8.424   4.265
  476   1HB   ASN  68          HB2       ASN  68  -2.912  -6.944   6.177
  477   2HB   ASN  68          HB3       ASN  68  -1.160  -6.906   6.432
  478   1HD2  ASN  68          1HD2      ASN  68  -2.783  -4.740   3.313
  479   2HD2  ASN  68          2HD2      ASN  68  -3.716  -6.049   4.016
  480    H    LYS  69           H        LYS  69   0.643  -8.572   5.692
  481    HA   LYS  69           HA       LYS  69   2.137  -7.438   3.695
  482   1HB   LYS  69          HB2       LYS  69   3.049  -8.221   5.831
  483   2HB   LYS  69          HB3       LYS  69   2.855  -9.910   5.322
  484   1HG   LYS  69          HG2       LYS  69   4.472  -9.577   3.489
  485   2HG   LYS  69          HG3       LYS  69   4.599  -7.853   3.885
  486   1HD   LYS  69          HD2       LYS  69   5.580  -8.393   6.063
  487   2HD   LYS  69          HD3       LYS  69   5.331 -10.130   5.779
  488   1HE   LYS  69          HE2       LYS  69   6.860 -10.018   3.806
  489   2HE   LYS  69          HE3       LYS  69   7.129  -8.295   4.132
  490   1HZ   LYS  69          HZ1       LYS  69   8.029  -8.930   6.269
  491   2HZ   LYS  69          HZ2       LYS  69   7.832 -10.528   5.913
  492   3HZ   LYS  69          HZ3       LYS  69   8.868  -9.611   5.027
  493    H    CYS  70           H        CYS  70   0.878 -10.802   3.675
  494    HA   CYS  70           HA       CYS  70   1.799 -11.057   0.814
  495   1HB   CYS  70          HB2       CYS  70   1.815 -13.447   1.157
  496   2HB   CYS  70          HB3       CYS  70   2.909 -12.671   2.288
  497    H    HIS  71           H        HIS  71  -0.741  -9.899   2.173
  498    HA   HIS  71           HA       HIS  71  -3.008  -9.976   1.950
  499   1HB   HIS  71          HB2       HIS  71  -2.252 -11.100  -0.776
  500   2HB   HIS  71          HB3       HIS  71  -3.819 -10.401  -0.349
  501    HD1  HIS  71           HD1      HIS  71  -1.350  -8.148   1.182
  502    HD2  HIS  71           HD2      HIS  71  -2.833  -8.944  -2.682
  503    HE1  HIS  71           HE1      HIS  71  -0.830  -6.105  -0.236
  504    H    GLY  72           H        GLY  72  -1.985 -12.163   3.404
  505   1HA   GLY  72          HA2       GLY  72  -2.575 -14.186   4.208
  506   2HA   GLY  72          HA3       GLY  72  -4.169 -13.928   3.481
  507    H    HIS  73           H        HIS  73  -1.357 -14.064   1.290
  508    HA   HIS  73           HA       HIS  73  -2.433 -16.485   0.067
  509   1HB   HIS  73          HB2       HIS  73   0.076 -14.831  -0.475
  510   2HB   HIS  73          HB3       HIS  73  -0.417 -16.246  -1.394
  511    HD1  HIS  73           HD1      HIS  73  -3.163 -13.748  -0.398
  512    HD2  HIS  73           HD2      HIS  73  -0.633 -14.752  -3.615
  513    HE1  HIS  73           HE1      HIS  73  -4.087 -12.570  -2.450
  514    H    GLY  74           H        GLY  74   0.808 -15.666   1.338
  515   1HA   GLY  74          HA2       GLY  74   1.307 -17.251   3.383
  516   2HA   GLY  74          HA3       GLY  74   1.263 -18.499   2.129
  517    H    ARG  75           H        ARG  75   2.450 -17.104  -0.020
  518    HA   ARG  75           HA       ARG  75   5.204 -16.519   0.974
  519   1HB   ARG  75          HB2       ARG  75   6.047 -17.663  -1.072
  520   2HB   ARG  75          HB3       ARG  75   5.359 -18.747   0.126
  521   1HG   ARG  75          HG2       ARG  75   3.794 -17.753  -2.302
  522   2HG   ARG  75          HG3       ARG  75   4.838 -19.173  -2.335
  523   1HD   ARG  75          HD2       ARG  75   3.228 -20.465  -1.550
  524   2HD   ARG  75          HD3       ARG  75   3.212 -19.545  -0.047
  525    HE   ARG  75           HE       ARG  75   1.709 -18.351  -2.278
  526   1HH1  ARG  75          1HH1      ARG  75  -0.582 -18.359  -2.188
  527   2HH1  ARG  75          2HH1      ARG  75  -1.392 -19.190  -0.882
  528   1HH2  ARG  75          1HH2      ARG  75   1.534 -20.608   0.461
  529   2HH2  ARG  75          2HH2      ARG  75  -0.193 -20.476   0.611
  530    H    VAL  76           H        VAL  76   6.531 -15.304  -0.550
  531    HA   VAL  76           HA       VAL  76   4.989 -13.571  -2.410
  532    HB   VAL  76           HB       VAL  76   6.144 -11.584  -1.498
  533   1HG1  VAL  76          1HG1      VAL  76   4.496 -13.019   0.616
  534   2HG1  VAL  76          2HG1      VAL  76   4.726 -11.269   0.452
  535   3HG1  VAL  76          3HG1      VAL  76   3.827 -12.160  -0.790
  536   1HG2  VAL  76          1HG2      VAL  76   7.168 -11.639   0.742
  537   2HG2  VAL  76          2HG2      VAL  76   6.995 -13.400   0.810
  538   3HG2  VAL  76          3HG2      VAL  76   8.077 -12.652  -0.383
  539    H    GLU  77           H        GLU  77   6.213 -12.635  -4.061
  540    HA   GLU  77           HA       GLU  77   8.491 -14.213  -4.919
  541   1HB   GLU  77          HB2       GLU  77   6.616 -13.302  -6.409
  542   2HB   GLU  77          HB3       GLU  77   7.393 -11.716  -6.254
  543   1HG   GLU  77          HG2       GLU  77   9.539 -12.818  -7.113
  544   2HG   GLU  77          HG3       GLU  77   8.599 -14.294  -7.363
  545    H    ARG  78           H        ARG  78   9.674 -13.707  -3.007
  546    HA   ARG  78           HA       ARG  78  10.763 -11.113  -2.434
  547   1HB   ARG  78          HB2       ARG  78  10.311 -13.279  -1.014
  548   2HB   ARG  78          HB3       ARG  78  11.922 -13.749  -1.516
  549   1HG   ARG  78          HG2       ARG  78  11.067 -11.296   0.112
  550   2HG   ARG  78          HG3       ARG  78  11.937 -12.719   0.685
  551   1HD   ARG  78          HD2       ARG  78  13.597 -11.071   0.508
  552   2HD   ARG  78          HD3       ARG  78  13.807 -12.102  -0.917
  553    HE   ARG  78           HE       ARG  78  12.087  -9.693  -1.185
  554   1HH1  ARG  78          1HH1      ARG  78  12.621  -8.248  -2.876
  555   2HH1  ARG  78          2HH1      ARG  78  14.112  -8.488  -3.762
  556   1HH2  ARG  78          1HH2      ARG  78  15.367 -10.960  -1.600
  557   2HH2  ARG  78          2HH2      ARG  78  15.773  -9.834  -2.871
  558    H    SER  79           H        SER  79  11.289 -10.867  -4.770
  559    HA   SER  79           HA       SER  79  13.290 -12.247  -6.178
  560   1HB   SER  79          HB2       SER  79  12.423  -9.339  -6.457
  561   2HB   SER  79          HB3       SER  79  13.215 -10.333  -7.693
  562    HG   SER  79           HG       SER  79  10.642 -10.823  -6.504
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1  14.480  -9.443  -4.950
    2   1HA   GLY   1          HA2       GLY   1  16.126  -7.941  -3.955
    3   2HA   GLY   1          HA3       GLY   1  16.248  -9.478  -3.072
    4    H    VAL   2           H        VAL   2  17.902 -11.045  -3.801
    5    HA   VAL   2           HA       VAL   2  20.392  -9.738  -4.654
    6    HB   VAL   2           HB       VAL   2  19.765 -12.696  -4.246
    7   1HG1  VAL   2          1HG1      VAL   2  21.736 -12.361  -5.682
    8   2HG1  VAL   2          2HG1      VAL   2  22.418 -11.219  -4.505
    9   3HG1  VAL   2          3HG1      VAL   2  22.225 -12.933  -4.082
   10   1HG2  VAL   2          1HG2      VAL   2  20.942 -12.401  -2.078
   11   2HG2  VAL   2          2HG2      VAL   2  21.084 -10.660  -2.388
   12   3HG2  VAL   2          3HG2      VAL   2  19.489 -11.395  -2.140
   13    H    THR   3           H        THR   3  18.056 -12.151  -5.933
   14    HA   THR   3           HA       THR   3  19.080 -12.031  -8.678
   15    HB   THR   3           HB       THR   3  16.962 -13.438  -8.999
   16    HG1  THR   3           HG1      THR   3  15.853 -12.590  -7.246
   17   1HG2  THR   3          1HG2      THR   3  19.115 -14.542  -8.635
   18   2HG2  THR   3          2HG2      THR   3  18.964 -14.361  -6.879
   19   3HG2  THR   3          3HG2      THR   3  17.837 -15.410  -7.766
   20    H    LYS   4           H        LYS   4  18.907  -9.574  -8.384
   21    HA   LYS   4           HA       LYS   4  16.593  -8.079  -8.107
   22   1HB   LYS   4          HB2       LYS   4  18.950  -7.602  -9.987
   23   2HB   LYS   4          HB3       LYS   4  17.733  -6.385  -9.565
   24   1HG   LYS   4          HG2       LYS   4  18.328  -6.569  -7.174
   25   2HG   LYS   4          HG3       LYS   4  19.567  -7.773  -7.553
   26   1HD   LYS   4          HD2       LYS   4  20.740  -6.126  -8.997
   27   2HD   LYS   4          HD3       LYS   4  19.515  -4.904  -8.585
   28   1HE   LYS   4          HE2       LYS   4  20.123  -5.118  -6.176
   29   2HE   LYS   4          HE3       LYS   4  21.342  -6.336  -6.591
   30   1HZ   LYS   4          HZ1       LYS   4  22.467  -4.680  -7.892
   31   2HZ   LYS   4          HZ2       LYS   4  21.335  -3.546  -7.507
   32   3HZ   LYS   4          HZ3       LYS   4  22.300  -4.179  -6.332
   33    H    GLU   5           H        GLU   5  17.695  -9.791 -10.988
   34    HA   GLU   5           HA       GLU   5  15.720  -8.713 -12.793
   35   1HB   GLU   5          HB2       GLU   5  17.374 -11.261 -13.098
   36   2HB   GLU   5          HB3       GLU   5  16.599 -10.293 -14.348
   37   1HG   GLU   5          HG2       GLU   5  18.726  -9.499 -14.574
   38   2HG   GLU   5          HG3       GLU   5  18.163  -8.342 -13.364
   39    H    ILE   6           H        ILE   6  14.033  -9.199 -10.962
   40    HA   ILE   6           HA       ILE   6  13.055 -11.912 -10.724
   41    HB   ILE   6           HB       ILE   6  11.153 -10.856  -9.550
   42   1HG1  ILE   6          2HG1      ILE   6  12.592  -8.179  -9.788
   43   2HG1  ILE   6          3HG1      ILE   6  11.319  -8.619 -10.922
   44   1HG2  ILE   6          1HG2      ILE   6  13.310 -11.490  -8.435
   45   2HG2  ILE   6          2HG2      ILE   6  13.828  -9.799  -8.572
   46   3HG2  ILE   6          3HG2      ILE   6  12.412 -10.221  -7.597
   47   1HD1  ILE   6          1HD1      ILE   6  10.393  -7.303  -9.105
   48   2HD1  ILE   6          2HD1      ILE   6   9.734  -8.948  -9.060
   49   3HD1  ILE   6          3HD1      ILE   6  10.992  -8.457  -7.901
   50    H    ARG   7           H        ARG   7  13.225 -11.804 -13.337
   51    HA   ARG   7           HA       ARG   7  10.503 -11.234 -14.481
   52   1HB   ARG   7          HB2       ARG   7  13.089 -11.999 -15.878
   53   2HB   ARG   7          HB3       ARG   7  11.587 -11.476 -16.641
   54   1HG   ARG   7          HG2       ARG   7  13.410  -9.733 -14.907
   55   2HG   ARG   7          HG3       ARG   7  13.326  -9.746 -16.666
   56   1HD   ARG   7          HD2       ARG   7  12.085  -7.846 -15.928
   57   2HD   ARG   7          HD3       ARG   7  10.919  -9.042 -16.537
   58    HE   ARG   7           HE       ARG   7  11.392  -9.320 -13.707
   59   1HH1  ARG   7          1HH1      ARG   7   9.581  -9.305 -12.458
   60   2HH1  ARG   7          2HH1      ARG   7   8.253  -8.209 -12.788
   61   1HH2  ARG   7          1HH2      ARG   7   9.655  -7.203 -15.918
   62   2HH2  ARG   7          2HH2      ARG   7   8.259  -7.049 -14.884
   63    H    ILE   8           H        ILE   8  10.836 -13.236 -12.558
   64    HA   ILE   8           HA       ILE   8   9.737 -15.549 -13.855
   65    HB   ILE   8           HB       ILE   8  11.424 -16.988 -12.443
   66   1HG1  ILE   8          2HG1      ILE   8  13.265 -14.626 -12.985
   67   2HG1  ILE   8          3HG1      ILE   8  12.517 -14.962 -11.419
   68   1HG2  ILE   8          1HG2      ILE   8  11.206 -16.975 -14.962
   69   2HG2  ILE   8          2HG2      ILE   8  12.536 -15.798 -15.006
   70   3HG2  ILE   8          3HG2      ILE   8  12.798 -17.417 -14.344
   71   1HD1  ILE   8          1HD1      ILE   8  14.761 -15.845 -11.425
   72   2HD1  ILE   8          2HD1      ILE   8  13.614 -17.197 -11.378
   73   3HD1  ILE   8          3HD1      ILE   8  14.454 -16.784 -12.893
   74    HA   PRO   9           HA       PRO   9   7.540 -15.170 -10.035
   75   1HB   PRO   9          HB2       PRO   9   6.759 -17.708  -9.396
   76   2HB   PRO   9          HB3       PRO   9   6.140 -16.810 -10.809
   77   1HG   PRO   9          HG2       PRO   9   8.433 -18.787 -10.761
   78   2HG   PRO   9          HG3       PRO   9   7.003 -18.806 -11.843
   79   1HD   PRO   9          HD2       PRO   9   9.326 -17.742 -12.672
   80   2HD   PRO   9          HD3       PRO   9   7.799 -16.896 -13.036
   81    H    THR  10           H        THR  10   9.624 -14.427  -9.156
   82    HA   THR  10           HA       THR  10  11.240 -16.192  -7.514
   83    HB   THR  10           HB       THR  10  11.246 -13.149  -7.480
   84    HG1  THR  10           HG1      THR  10  11.309 -13.977  -9.683
   85   1HG2  THR  10          1HG2      THR  10  12.721 -14.454  -5.878
   86   2HG2  THR  10          2HG2      THR  10  13.482 -15.225  -7.281
   87   3HG2  THR  10          3HG2      THR  10  13.633 -13.474  -7.044
   88    H    LEU  11           H        LEU  11   9.173 -16.970  -6.491
   89    HA   LEU  11           HA       LEU  11   8.149 -15.246  -4.306
   90   1HB   LEU  11          HB2       LEU  11   7.123 -17.923  -5.292
   91   2HB   LEU  11          HB3       LEU  11   6.326 -16.830  -4.154
   92    HG   LEU  11           HG       LEU  11   6.822 -16.322  -7.123
   93   1HD1  LEU  11          1HD1      LEU  11   4.249 -16.747  -5.557
   94   2HD1  LEU  11          2HD1      LEU  11   4.390 -16.455  -7.303
   95   3HD1  LEU  11          3HD1      LEU  11   5.035 -17.950  -6.602
   96   1HD2  LEU  11          1HD2      LEU  11   5.553 -14.532  -5.006
   97   2HD2  LEU  11          2HD2      LEU  11   6.969 -14.177  -6.026
   98   3HD2  LEU  11          3HD2      LEU  11   5.370 -14.294  -6.757
   99    H    GLU  12           H        GLU  12   8.262 -15.815  -2.165
  100    HA   GLU  12           HA       GLU  12   9.689 -18.307  -1.367
  101   1HB   GLU  12          HB2       GLU  12  10.083 -15.516  -0.179
  102   2HB   GLU  12          HB3       GLU  12  10.766 -17.021   0.432
  103   1HG   GLU  12          HG2       GLU  12  12.524 -15.998  -0.767
  104   2HG   GLU  12          HG3       GLU  12  11.956 -17.325  -1.791
  105    H    GLU  13           H        GLU  13   9.091 -19.000   0.774
  106    HA   GLU  13           HA       GLU  13   6.311 -18.877   1.304
  107   1HB   GLU  13          HB2       GLU  13   7.888 -20.729   1.982
  108   2HB   GLU  13          HB3       GLU  13   8.569 -19.642   3.209
  109   1HG   GLU  13          HG2       GLU  13   6.227 -19.450   4.198
  110   2HG   GLU  13          HG3       GLU  13   5.710 -20.682   3.034
  111    H    CYS  14           H        CYS  14   5.091 -17.581   2.687
  112    HA   CYS  14           HA       CYS  14   6.335 -15.120   3.664
  113   1HB   CYS  14          HB2       CYS  14   4.016 -15.250   2.703
  114   2HB   CYS  14          HB3       CYS  14   3.545 -16.133   4.152
  115    H    ASP  15           H        ASP  15   7.885 -16.115   5.018
  116    HA   ASP  15           HA       ASP  15   7.619 -17.825   7.154
  117   1HB   ASP  15          HB2       ASP  15   9.594 -16.848   8.083
  118   2HB   ASP  15          HB3       ASP  15   9.753 -16.798   6.324
  119    H    VAL  16           H        VAL  16   6.769 -14.404   7.073
  120    HA   VAL  16           HA       VAL  16   6.262 -13.777   9.727
  121    HB   VAL  16           HB       VAL  16   4.741 -12.977   7.212
  122   1HG1  VAL  16          1HG1      VAL  16   4.081 -10.960   8.492
  123   2HG1  VAL  16          2HG1      VAL  16   3.360 -12.442   9.126
  124   3HG1  VAL  16          3HG1      VAL  16   4.746 -11.702   9.967
  125   1HG2  VAL  16          1HG2      VAL  16   6.162 -10.916   7.396
  126   2HG2  VAL  16          2HG2      VAL  16   7.067 -11.688   8.709
  127   3HG2  VAL  16          3HG2      VAL  16   7.113 -12.366   7.067
  128    H    CYS  17           H        CYS  17   4.122 -15.617   7.505
  129    HA   CYS  17           HA       CYS  17   2.270 -16.210   9.818
  130   1HB   CYS  17          HB2       CYS  17   0.615 -16.700   8.175
  131   2HB   CYS  17          HB3       CYS  17   1.179 -15.029   8.051
  132    H    HIS  18           H        HIS  18   4.956 -17.439   8.829
  133    HA   HIS  18           HA       HIS  18   5.919 -19.447   8.438
  134   1HB   HIS  18          HB2       HIS  18   3.548 -20.491  10.024
  135   2HB   HIS  18          HB3       HIS  18   5.107 -21.293   9.807
  136    HD1  HIS  18           HD1      HIS  18   6.283 -17.982  10.449
  137    HD2  HIS  18           HD2      HIS  18   4.265 -20.895  12.728
  138    HE1  HIS  18           HE1      HIS  18   6.713 -17.426  12.894
  139    H    GLY  19           H        GLY  19   4.321 -18.491   6.331
  140   1HA   GLY  19          HA2       GLY  19   3.602 -19.204   4.300
  141   2HA   GLY  19          HA3       GLY  19   4.075 -20.852   4.734
  142    H    SER  20           H        SER  20   1.798 -19.895   7.085
  143    HA   SER  20           HA       SER  20  -0.178 -21.657   5.869
  144   1HB   SER  20          HB2       SER  20  -1.520 -21.186   7.826
  145   2HB   SER  20          HB3       SER  20   0.140 -21.555   8.316
  146    HG   SER  20           HG       SER  20   0.476 -19.405   8.762
  147    H    GLY  21           H        GLY  21  -0.190 -18.314   6.861
  148   1HA   GLY  21          HA2       GLY  21  -0.989 -16.601   5.077
  149   2HA   GLY  21          HA3       GLY  21  -2.452 -17.598   5.053
  150    H    ALA  22           H        ALA  22  -1.628 -18.076   8.156
  151    HA   ALA  22           HA       ALA  22  -3.619 -16.334   9.168
  152   1HB   ALA  22          HB1       ALA  22  -3.056 -18.504  10.132
  153   2HB   ALA  22          HB2       ALA  22  -1.456 -17.900  10.623
  154   3HB   ALA  22          HB3       ALA  22  -2.926 -17.215  11.345
  155    H    LYS  23           H        LYS  23  -3.534 -14.345   9.910
  156    HA   LYS  23           HA       LYS  23  -1.658 -12.426   9.578
  157   1HB   LYS  23          HB2       LYS  23  -3.936 -12.026  10.157
  158   2HB   LYS  23          HB3       LYS  23  -3.736 -12.820  11.734
  159   1HG   LYS  23          HG2       LYS  23  -2.213 -10.899  12.406
  160   2HG   LYS  23          HG3       LYS  23  -2.725 -10.092  10.891
  161   1HD   LYS  23          HD2       LYS  23  -5.087 -10.270  11.627
  162   2HD   LYS  23          HD3       LYS  23  -4.556 -11.082  13.118
  163   1HE   LYS  23          HE2       LYS  23  -3.237  -9.077  13.752
  164   2HE   LYS  23          HE3       LYS  23  -3.779  -8.250  12.277
  165   1HZ   LYS  23          HZ1       LYS  23  -6.023  -8.439  13.078
  166   2HZ   LYS  23          HZ2       LYS  23  -5.511  -9.207  14.445
  167   3HZ   LYS  23          HZ3       LYS  23  -5.080  -7.642  14.170
  168    HA   PRO  24           HA       PRO  24   1.939 -12.920  12.117
  169   1HB   PRO  24          HB2       PRO  24   1.184 -10.145  13.097
  170   2HB   PRO  24          HB3       PRO  24   2.821 -10.782  12.752
  171   1HG   PRO  24          HG2       PRO  24   1.520  -9.296  10.890
  172   2HG   PRO  24          HG3       PRO  24   2.389 -10.773  10.401
  173   1HD   PRO  24          HD2       PRO  24  -0.545 -10.356  10.718
  174   2HD   PRO  24          HD3       PRO  24   0.333 -11.396   9.563
  175    H    GLY  25           H        GLY  25   2.239 -13.926  14.051
  176   1HA   GLY  25          HA2       GLY  25   1.891 -14.756  16.135
  177   2HA   GLY  25          HA3       GLY  25   1.273 -13.158  16.573
  178    H    THR  26           H        THR  26  -0.532 -14.764  14.032
  179    HA   THR  26           HA       THR  26  -2.611 -15.629  15.983
  180    HB   THR  26           HB       THR  26  -3.120 -14.645  13.168
  181    HG1  THR  26           HG1      THR  26  -2.007 -12.990  14.406
  182   1HG2  THR  26          1HG2      THR  26  -4.998 -15.783  14.272
  183   2HG2  THR  26          2HG2      THR  26  -4.829 -14.721  15.689
  184   3HG2  THR  26          3HG2      THR  26  -5.327 -14.052  14.125
  185    H    GLN  27           H        GLN  27  -3.890 -17.443  15.182
  186    HA   GLN  27           HA       GLN  27  -2.324 -19.315  13.462
  187   1HB   GLN  27          HB2       GLN  27  -3.377 -21.112  14.743
  188   2HB   GLN  27          HB3       GLN  27  -2.423 -20.054  15.777
  189   1HG   GLN  27          HG2       GLN  27  -5.464 -19.858  15.504
  190   2HG   GLN  27          HG3       GLN  27  -4.651 -20.864  16.695
  191   1HE2  GLN  27          1HE2      GLN  27  -3.676 -18.166  18.810
  192   2HE2  GLN  27          2HE2      GLN  27  -3.366 -19.844  18.405
  193    HA   PRO  28           HA       PRO  28  -5.945 -19.272  10.842
  194   1HB   PRO  28          HB2       PRO  28  -5.719 -21.516   9.418
  195   2HB   PRO  28          HB3       PRO  28  -4.465 -20.254   9.300
  196   1HG   PRO  28          HG2       PRO  28  -4.393 -22.749  11.026
  197   2HG   PRO  28          HG3       PRO  28  -3.131 -22.174   9.894
  198   1HD   PRO  28          HD2       PRO  28  -3.095 -21.654  12.569
  199   2HD   PRO  28          HD3       PRO  28  -2.474 -20.472  11.378
  200    H    GLN  29           H        GLN  29  -7.787 -21.004  10.195
  201    HA   GLN  29           HA       GLN  29  -8.701 -22.322  12.744
  202   1HB   GLN  29          HB2       GLN  29 -10.343 -21.003  10.549
  203   2HB   GLN  29          HB3       GLN  29 -10.947 -21.769  12.021
  204   1HG   GLN  29          HG2       GLN  29 -10.974 -19.417  12.427
  205   2HG   GLN  29          HG3       GLN  29  -9.647 -20.089  13.381
  206   1HE2  GLN  29          1HE2      GLN  29  -7.504 -17.610  12.002
  207   2HE2  GLN  29          2HE2      GLN  29  -8.047 -18.456  13.431
  208    H    THR  30           H        THR  30  -8.946 -24.548  12.581
  209    HA   THR  30           HA       THR  30  -8.265 -26.096  10.467
  210    HB   THR  30           HB       THR  30 -10.563 -26.749  12.364
  211    HG1  THR  30           HG1      THR  30  -8.876 -27.174  13.886
  212   1HG2  THR  30          1HG2      THR  30  -8.205 -28.385  11.319
  213   2HG2  THR  30          2HG2      THR  30  -9.473 -28.972  12.417
  214   3HG2  THR  30          3HG2      THR  30  -9.891 -28.512  10.758
  215    H    CYS  31           H        CYS  31  -9.146 -26.426   8.399
  216    HA   CYS  31           HA       CYS  31 -11.618 -25.189   7.675
  217   1HB   CYS  31          HB2       CYS  31  -9.763 -25.666   6.080
  218   2HB   CYS  31          HB3       CYS  31 -10.114 -27.385   6.239
  219    HA   PRO  32           HA       PRO  32 -13.950 -28.637   9.476
  220   1HB   PRO  32          HB2       PRO  32 -16.501 -27.748   9.179
  221   2HB   PRO  32          HB3       PRO  32 -15.346 -27.046  10.356
  222   1HG   PRO  32          HG2       PRO  32 -16.007 -25.988   7.590
  223   2HG   PRO  32          HG3       PRO  32 -15.987 -25.087   9.132
  224   1HD   PRO  32          HD2       PRO  32 -13.858 -25.099   7.433
  225   2HD   PRO  32          HD3       PRO  32 -13.634 -25.076   9.206
  226    H    THR  33           H        THR  33 -14.689 -27.250   6.241
  227    HA   THR  33           HA       THR  33 -16.274 -29.108   5.095
  228    HB   THR  33           HB       THR  33 -13.896 -27.934   3.632
  229    HG1  THR  33           HG1      THR  33 -16.139 -26.455   4.526
  230   1HG2  THR  33          1HG2      THR  33 -15.583 -27.415   1.923
  231   2HG2  THR  33          2HG2      THR  33 -15.622 -29.145   2.316
  232   3HG2  THR  33          3HG2      THR  33 -16.873 -28.063   2.959
  233    H    CYS  34           H        CYS  34 -12.765 -29.413   5.612
  234    HA   CYS  34           HA       CYS  34 -12.861 -32.254   4.629
  235   1HB   CYS  34          HB2       CYS  34 -10.437 -31.937   4.164
  236   2HB   CYS  34          HB3       CYS  34 -11.505 -31.088   3.082
  237    H    HIS  35           H        HIS  35 -13.288 -30.899   7.385
  238    HA   HIS  35           HA       HIS  35 -12.649 -31.186   9.552
  239   1HB   HIS  35          HB2       HIS  35 -11.970 -33.986   8.576
  240   2HB   HIS  35          HB3       HIS  35 -12.383 -33.512  10.224
  241    HD1  HIS  35           HD1      HIS  35 -14.924 -31.710   8.421
  242    HD2  HIS  35           HD2      HIS  35 -14.086 -35.774   9.155
  243    HE1  HIS  35           HE1      HIS  35 -17.103 -32.977   8.094
  244    H    GLY  36           H        GLY  36 -10.641 -29.898   8.163
  245   1HA   GLY  36          HA2       GLY  36  -8.503 -29.201   8.536
  246   2HA   GLY  36          HA3       GLY  36  -8.364 -30.370   9.849
  247    H    SER  37           H        SER  37  -9.109 -32.348   7.255
  248    HA   SER  37           HA       SER  37  -6.407 -33.309   7.142
  249   1HB   SER  37          HB2       SER  37  -7.227 -34.892   5.517
  250   2HB   SER  37          HB3       SER  37  -8.412 -34.752   6.827
  251    HG   SER  37           HG       SER  37  -9.755 -33.649   5.499
  252    H    GLY  38           H        GLY  38  -8.403 -31.513   4.897
  253   1HA   GLY  38          HA2       GLY  38  -7.488 -29.772   3.409
  254   2HA   GLY  38          HA3       GLY  38  -6.036 -30.751   3.208
  255    H    GLN  39           H        GLN  39  -8.705 -32.889   3.281
  256    HA   GLN  39           HA       GLN  39  -9.080 -32.755   0.327
  257   1HB   GLN  39          HB2       GLN  39  -9.054 -35.273   0.397
  258   2HB   GLN  39          HB3       GLN  39  -7.498 -34.456   0.586
  259   1HG   GLN  39          HG2       GLN  39  -7.563 -34.814   3.030
  260   2HG   GLN  39          HG3       GLN  39  -9.146 -35.602   2.886
  261   1HE2  GLN  39          1HE2      GLN  39  -5.784 -37.572   1.492
  262   2HE2  GLN  39          2HE2      GLN  39  -5.828 -35.819   1.435
  263    H    VAL  40           H        VAL  40 -11.129 -32.861  -0.317
  264    HA   VAL  40           HA       VAL  40 -13.282 -33.266   1.714
  265    HB   VAL  40           HB       VAL  40 -14.751 -32.598  -0.238
  266   1HG1  VAL  40          1HG1      VAL  40 -14.356 -30.219   0.043
  267   2HG1  VAL  40          2HG1      VAL  40 -14.255 -31.104   1.580
  268   3HG1  VAL  40          3HG1      VAL  40 -12.764 -30.559   0.772
  269   1HG2  VAL  40          1HG2      VAL  40 -13.840 -31.375  -2.106
  270   2HG2  VAL  40          2HG2      VAL  40 -12.186 -31.559  -1.509
  271   3HG2  VAL  40          3HG2      VAL  40 -13.082 -32.969  -2.103
  272    H    GLN  41           H        GLN  41 -14.469 -35.154   1.689
  273    HA   GLN  41           HA       GLN  41 -14.033 -37.016  -0.600
  274   1HB   GLN  41          HB2       GLN  41 -12.939 -37.783   1.411
  275   2HB   GLN  41          HB3       GLN  41 -14.487 -37.733   2.286
  276   1HG   GLN  41          HG2       GLN  41 -15.432 -39.399   0.686
  277   2HG   GLN  41          HG3       GLN  41 -13.928 -39.402  -0.235
  278   1HE2  GLN  41          1HE2      GLN  41 -13.394 -42.384   1.649
  279   2HE2  GLN  41          2HE2      GLN  41 -14.002 -41.738   0.124
  280    H    MET  42           H        MET  42 -15.730 -37.148  -1.794
  281    HA   MET  42           HA       MET  42 -18.419 -36.284  -1.051
  282   1HB   MET  42          HB2       MET  42 -17.563 -38.040  -3.380
  283   2HB   MET  42          HB3       MET  42 -18.996 -37.016  -3.281
  284   1HG   MET  42          HG2       MET  42 -16.099 -36.081  -3.546
  285   2HG   MET  42          HG3       MET  42 -17.332 -36.132  -4.784
  286   1HE   MET  42          HE1       MET  42 -16.893 -32.802  -1.663
  287   2HE   MET  42          HE2       MET  42 -17.288 -34.400  -1.027
  288   3HE   MET  42          HE3       MET  42 -15.759 -34.150  -1.912
  289    H    ARG  43           H        ARG  43 -20.257 -37.794  -1.012
  290    HA   ARG  43           HA       ARG  43 -19.665 -40.647  -0.453
  291   1HB   ARG  43          HB2       ARG  43 -21.130 -38.895   1.572
  292   2HB   ARG  43          HB3       ARG  43 -20.855 -40.644   1.667
  293   1HG   ARG  43          HG2       ARG  43 -18.362 -40.148   1.580
  294   2HG   ARG  43          HG3       ARG  43 -18.765 -38.438   1.808
  295   1HD   ARG  43          HD2       ARG  43 -19.950 -39.050   3.926
  296   2HD   ARG  43          HD3       ARG  43 -19.360 -40.708   3.758
  297    HE   ARG  43           HE       ARG  43 -17.915 -38.375   4.662
  298   1HH1  ARG  43          1HH1      ARG  43 -15.637 -38.346   4.889
  299   2HH1  ARG  43          2HH1      ARG  43 -14.673 -39.596   4.128
  300   1HH2  ARG  43          1HH2      ARG  43 -17.427 -41.451   2.985
  301   2HH2  ARG  43          2HH2      ARG  43 -15.690 -41.430   3.184
  302    H    GLN  44           H        GLN  44 -20.827 -39.502  -2.717
  303    HA   GLN  44           HA       GLN  44 -23.277 -40.916  -2.912
  304   1HB   GLN  44          HB2       GLN  44 -24.751 -39.010  -3.372
  305   2HB   GLN  44          HB3       GLN  44 -24.116 -38.965  -1.733
  306   1HG   GLN  44          HG2       GLN  44 -22.847 -37.301  -3.939
  307   2HG   GLN  44          HG3       GLN  44 -24.249 -36.748  -3.025
  308   1HE2  GLN  44          1HE2      GLN  44 -22.458 -36.417   0.104
  309   2HE2  GLN  44          2HE2      GLN  44 -24.006 -36.956  -0.514
  310    H    GLY  45           H        GLY  45 -24.206 -39.578  -5.254
  311   1HA   GLY  45          HA2       GLY  45 -23.715 -39.157  -7.453
  312   2HA   GLY  45          HA3       GLY  45 -21.996 -39.019  -7.059
  313    H    PHE  46           H        PHE  46 -21.087 -41.307  -6.242
  314    HA   PHE  46           HA       PHE  46 -22.243 -43.623  -7.559
  315   1HB   PHE  46          HB2       PHE  46 -20.525 -44.087  -9.141
  316   2HB   PHE  46          HB3       PHE  46 -21.266 -42.548  -9.530
  317    HD1  PHE  46           HD1      PHE  46 -18.192 -44.252  -9.229
  318    HD2  PHE  46           HD2      PHE  46 -19.979 -40.375  -8.595
  319    HE1  PHE  46           HE1      PHE  46 -15.952 -43.194  -9.304
  320    HE2  PHE  46           HE2      PHE  46 -17.732 -39.345  -8.576
  321    HZ   PHE  46           HZ       PHE  46 -15.715 -40.746  -8.965
  322    H    PHE  47           H        PHE  47 -19.029 -42.426  -6.434
  323    HA   PHE  47           HA       PHE  47 -18.951 -44.571  -4.381
  324   1HB   PHE  47          HB2       PHE  47 -16.696 -43.789  -6.269
  325   2HB   PHE  47          HB3       PHE  47 -16.543 -44.911  -4.918
  326    HD1  PHE  47           HD1      PHE  47 -19.149 -46.548  -5.479
  327    HD2  PHE  47           HD2      PHE  47 -15.787 -45.310  -7.887
  328    HE1  PHE  47           HE1      PHE  47 -19.576 -48.406  -7.035
  329    HE2  PHE  47           HE2      PHE  47 -16.213 -47.194  -9.434
  330    HZ   PHE  47           HZ       PHE  47 -18.123 -48.734  -9.028
  331    H    ALA  48           H        ALA  48 -17.531 -43.981  -2.616
  332    HA   ALA  48           HA       ALA  48 -17.727 -41.176  -2.057
  333   1HB   ALA  48          HB1       ALA  48 -16.815 -41.806   0.159
  334   2HB   ALA  48          HB2       ALA  48 -18.149 -42.866  -0.334
  335   3HB   ALA  48          HB3       ALA  48 -16.470 -43.438  -0.451
  336    H    VAL  49           H        VAL  49 -16.292 -40.773  -4.073
  337    HA   VAL  49           HA       VAL  49 -13.402 -41.048  -3.655
  338    HB   VAL  49           HB       VAL  49 -13.213 -39.785  -5.783
  339   1HG1  VAL  49          1HG1      VAL  49 -13.378 -42.213  -5.614
  340   2HG1  VAL  49          2HG1      VAL  49 -15.143 -42.120  -5.779
  341   3HG1  VAL  49          3HG1      VAL  49 -14.096 -41.617  -7.132
  342   1HG2  VAL  49          1HG2      VAL  49 -15.143 -39.222  -7.112
  343   2HG2  VAL  49          2HG2      VAL  49 -16.266 -39.834  -5.886
  344   3HG2  VAL  49          3HG2      VAL  49 -15.291 -38.383  -5.563
  345    H    GLN  50           H        GLN  50 -12.009 -38.968  -4.107
  346    HA   GLN  50           HA       GLN  50 -13.101 -36.730  -2.555
  347   1HB   GLN  50          HB2       GLN  50 -11.279 -36.824  -0.945
  348   2HB   GLN  50          HB3       GLN  50 -11.917 -38.472  -1.074
  349   1HG   GLN  50          HG2       GLN  50 -10.012 -39.122  -2.455
  350   2HG   GLN  50          HG3       GLN  50  -9.493 -37.428  -2.601
  351   1HE2  GLN  50          1HE2      GLN  50  -9.019 -38.785   1.224
  352   2HE2  GLN  50          2HE2      GLN  50 -10.554 -39.107   0.422
  353    H    GLN  51           H        GLN  51 -11.680 -34.853  -2.483
  354    HA   GLN  51           HA       GLN  51  -9.737 -34.610  -4.691
  355   1HB   GLN  51          HB2       GLN  51 -11.938 -32.529  -4.401
  356   2HB   GLN  51          HB3       GLN  51 -10.723 -32.690  -5.660
  357   1HG   GLN  51          HG2       GLN  51 -12.632 -33.393  -6.751
  358   2HG   GLN  51          HG3       GLN  51 -11.912 -34.930  -6.280
  359   1HE2  GLN  51          1HE2      GLN  51 -15.306 -33.520  -4.305
  360   2HE2  GLN  51          2HE2      GLN  51 -14.130 -32.386  -4.939
  361    H    THR  52           H        THR  52  -8.457 -32.552  -4.410
  362    HA   THR  52           HA       THR  52  -7.776 -32.008  -1.707
  363    HB   THR  52           HB       THR  52  -7.365 -30.265  -4.187
  364    HG1  THR  52           HG1      THR  52  -5.460 -31.551  -4.422
  365   1HG2  THR  52          1HG2      THR  52  -5.718 -30.632  -1.642
  366   2HG2  THR  52          2HG2      THR  52  -5.245 -29.640  -3.039
  367   3HG2  THR  52          3HG2      THR  52  -6.667 -29.190  -2.085
  368    H    CYS  53           H        CYS  53  -8.669 -30.424  -0.275
  369    HA   CYS  53           HA       CYS  53 -11.234 -29.365  -0.920
  370   1HB   CYS  53          HB2       CYS  53 -10.498 -29.866   1.366
  371   2HB   CYS  53          HB3       CYS  53  -9.340 -28.537   1.280
  372    HA   PRO  54           HA       PRO  54  -9.414 -25.878  -3.194
  373   1HB   PRO  54          HB2       PRO  54 -11.683 -24.643  -4.085
  374   2HB   PRO  54          HB3       PRO  54 -11.068 -26.175  -4.768
  375   1HG   PRO  54          HG2       PRO  54 -13.248 -25.832  -2.695
  376   2HG   PRO  54          HG3       PRO  54 -13.277 -26.840  -4.167
  377   1HD   PRO  54          HD2       PRO  54 -12.671 -27.870  -1.721
  378   2HD   PRO  54          HD3       PRO  54 -11.873 -28.463  -3.206
  379    H    HIS  55           H        HIS  55 -12.091 -25.459  -0.860
  380    HA   HIS  55           HA       HIS  55 -12.024 -22.769  -0.437
  381   1HB   HIS  55          HB2       HIS  55 -13.611 -24.476   0.521
  382   2HB   HIS  55          HB3       HIS  55 -12.420 -24.799   1.790
  383    HD1  HIS  55           HD1      HIS  55 -12.000 -21.290   1.543
  384    HD2  HIS  55           HD2      HIS  55 -15.109 -23.810   2.855
  385    HE1  HIS  55           HE1      HIS  55 -13.515 -19.874   3.046
  386    H    CYS  56           H        CYS  56  -9.780 -25.114   1.013
  387    HA   CYS  56           HA       CYS  56  -8.179 -22.859   2.190
  388   1HB   CYS  56          HB2       CYS  56  -7.263 -24.547   3.718
  389   2HB   CYS  56          HB3       CYS  56  -8.985 -24.279   3.956
  390    H    GLN  57           H        GLN  57  -8.235 -24.280  -0.618
  391    HA   GLN  57           HA       GLN  57  -6.773 -25.077  -2.142
  392   1HB   GLN  57          HB2       GLN  57  -4.800 -23.254  -0.697
  393   2HB   GLN  57          HB3       GLN  57  -4.738 -23.801  -2.368
  394   1HG   GLN  57          HG2       GLN  57  -5.515 -21.585  -2.465
  395   2HG   GLN  57          HG3       GLN  57  -6.933 -22.589  -2.781
  396   1HE2  GLN  57          1HE2      GLN  57  -8.749 -21.238  -0.030
  397   2HE2  GLN  57          2HE2      GLN  57  -8.746 -22.236  -1.467
  398    H    GLY  58           H        GLY  58  -7.111 -26.933  -0.206
  399   1HA   GLY  58          HA2       GLY  58  -6.234 -28.928   0.463
  400   2HA   GLY  58          HA3       GLY  58  -4.772 -28.569  -0.462
  401    H    ARG  59           H        ARG  59  -5.001 -26.007   1.734
  402    HA   ARG  59           HA       ARG  59  -2.858 -27.174   3.319
  403   1HB   ARG  59          HB2       ARG  59  -4.240 -24.483   3.651
  404   2HB   ARG  59          HB3       ARG  59  -2.684 -24.993   4.323
  405   1HG   ARG  59          HG2       ARG  59  -1.922 -25.418   1.911
  406   2HG   ARG  59          HG3       ARG  59  -3.354 -24.553   1.381
  407   1HD   ARG  59          HD2       ARG  59  -0.984 -23.546   2.984
  408   2HD   ARG  59          HD3       ARG  59  -1.548 -22.979   1.413
  409    HE   ARG  59           HE       ARG  59  -2.111 -21.810   3.821
  410   1HH1  ARG  59          1HH1      ARG  59  -5.150 -21.465   1.189
  411   2HH1  ARG  59          2HH1      ARG  59  -4.603 -23.062   1.622
  412   1HH2  ARG  59          1HH2      ARG  59  -2.945 -19.871   3.479
  413   2HH2  ARG  59          2HH2      ARG  59  -4.292 -19.588   2.400
  414    H    GLY  60           H        GLY  60  -6.141 -27.573   3.635
  415   1HA   GLY  60          HA2       GLY  60  -7.505 -28.331   5.328
  416   2HA   GLY  60          HA3       GLY  60  -6.036 -28.720   6.224
  417    H    THR  61           H        THR  61  -5.845 -25.421   5.625
  418    HA   THR  61           HA       THR  61  -7.126 -24.653   8.204
  419    HB   THR  61           HB       THR  61  -5.084 -23.050   8.089
  420    HG1  THR  61           HG1      THR  61  -4.029 -25.295   6.693
  421   1HG2  THR  61          1HG2      THR  61  -3.743 -24.696   9.397
  422   2HG2  THR  61          2HG2      THR  61  -5.451 -24.709   9.876
  423   3HG2  THR  61          3HG2      THR  61  -4.808 -26.000   8.836
  424    H    LEU  62           H        LEU  62  -8.460 -23.026   8.065
  425    HA   LEU  62           HA       LEU  62  -8.682 -21.413   5.586
  426   1HB   LEU  62          HB2       LEU  62 -10.472 -21.729   8.043
  427   2HB   LEU  62          HB3       LEU  62 -10.738 -20.512   6.790
  428    HG   LEU  62           HG       LEU  62 -10.739 -23.509   6.294
  429   1HD1  LEU  62          1HD1      LEU  62 -12.996 -21.456   6.429
  430   2HD1  LEU  62          2HD1      LEU  62 -13.189 -23.171   6.011
  431   3HD1  LEU  62          3HD1      LEU  62 -12.672 -22.712   7.647
  432   1HD2  LEU  62          1HD2      LEU  62 -11.745 -22.830   4.116
  433   2HD2  LEU  62          2HD2      LEU  62 -11.392 -21.123   4.506
  434   3HD2  LEU  62          3HD2      LEU  62 -10.080 -22.289   4.249
  435    H    ILE  63           H        ILE  63  -8.454 -19.271   5.598
  436    HA   ILE  63           HA       ILE  63  -6.923 -18.110   7.864
  437    HB   ILE  63           HB       ILE  63  -7.010 -17.195   4.968
  438   1HG1  ILE  63          2HG1      ILE  63  -6.229 -19.487   4.810
  439   2HG1  ILE  63          3HG1      ILE  63  -4.948 -18.327   4.502
  440   1HG2  ILE  63          1HG2      ILE  63  -5.029 -16.791   7.252
  441   2HG2  ILE  63          2HG2      ILE  63  -4.875 -16.151   5.594
  442   3HG2  ILE  63          3HG2      ILE  63  -6.200 -15.624   6.651
  443   1HD1  ILE  63          1HD1      ILE  63  -3.979 -18.705   6.708
  444   2HD1  ILE  63          2HD1      ILE  63  -5.327 -19.791   7.137
  445   3HD1  ILE  63          3HD1      ILE  63  -4.187 -20.242   5.856
  446    H    LYS  64           H        LYS  64  -9.174 -17.732   8.918
  447    HA   LYS  64           HA       LYS  64 -10.885 -15.783   7.641
  448   1HB   LYS  64          HB2       LYS  64 -10.639 -16.699  10.531
  449   2HB   LYS  64          HB3       LYS  64 -11.608 -15.312  10.073
  450   1HG   LYS  64          HG2       LYS  64 -13.077 -17.138  10.184
  451   2HG   LYS  64          HG3       LYS  64 -12.931 -16.640   8.496
  452   1HD   LYS  64          HD2       LYS  64 -11.419 -18.569   8.061
  453   2HD   LYS  64          HD3       LYS  64 -11.466 -18.990   9.781
  454   1HE   LYS  64          HE2       LYS  64 -12.975 -20.456   8.620
  455   2HE   LYS  64          HE3       LYS  64 -13.928 -19.362   9.627
  456   1HZ   LYS  64          HZ1       LYS  64 -14.844 -19.608   7.436
  457   2HZ   LYS  64          HZ2       LYS  64 -14.371 -18.050   7.679
  458   3HZ   LYS  64          HZ3       LYS  64 -13.460 -19.051   6.740
  459    H    ASP  65           H        ASP  65  -7.933 -15.706   9.507
  460    HA   ASP  65           HA       ASP  65  -7.835 -12.752   9.791
  461   1HB   ASP  65          HB2       ASP  65  -6.052 -13.236  11.378
  462   2HB   ASP  65          HB3       ASP  65  -7.561 -14.036  11.815
  463    HA   PRO  66           HA       PRO  66  -5.181 -13.834   6.076
  464   1HB   PRO  66          HB2       PRO  66  -5.610 -11.607   4.576
  465   2HB   PRO  66          HB3       PRO  66  -6.729 -13.000   4.637
  466   1HG   PRO  66          HG2       PRO  66  -6.898 -10.442   6.263
  467   2HG   PRO  66          HG3       PRO  66  -8.185 -11.190   5.267
  468   1HD   PRO  66          HD2       PRO  66  -8.108 -11.647   7.903
  469   2HD   PRO  66          HD3       PRO  66  -8.403 -13.010   6.776
  470    H    CYS  67           H        CYS  67  -3.089 -13.698   6.353
  471    HA   CYS  67           HA       CYS  67  -1.717 -11.485   7.601
  472   1HB   CYS  67          HB2       CYS  67  -0.774 -13.752   7.601
  473   2HB   CYS  67          HB3       CYS  67  -0.835 -13.811   5.842
  474    H    ASN  68           H        ASN  68  -2.455  -9.675   6.498
  475    HA   ASN  68           HA       ASN  68  -2.906  -9.095   3.922
  476   1HB   ASN  68          HB2       ASN  68  -3.158  -7.439   5.692
  477   2HB   ASN  68          HB3       ASN  68  -1.400  -7.312   5.867
  478   1HD2  ASN  68          1HD2      ASN  68  -3.222  -5.602   2.569
  479   2HD2  ASN  68          2HD2      ASN  68  -4.056  -6.880   3.430
  480    H    LYS  69           H        LYS  69   0.402  -9.162   5.290
  481    HA   LYS  69           HA       LYS  69   1.916  -8.205   3.228
  482   1HB   LYS  69          HB2       LYS  69   2.662  -9.083   5.486
  483   2HB   LYS  69          HB3       LYS  69   2.654 -10.708   4.774
  484   1HG   LYS  69          HG2       LYS  69   4.278  -9.896   3.033
  485   2HG   LYS  69          HG3       LYS  69   4.257  -8.298   3.797
  486   1HD   LYS  69          HD2       LYS  69   5.142  -9.275   5.896
  487   2HD   LYS  69          HD3       LYS  69   5.089 -10.893   5.176
  488   1HE   LYS  69          HE2       LYS  69   7.375 -10.038   5.119
  489   2HE   LYS  69          HE3       LYS  69   6.759 -10.211   3.469
  490   1HZ   LYS  69          HZ1       LYS  69   7.916  -8.154   3.801
  491   2HZ   LYS  69          HZ2       LYS  69   6.336  -7.865   3.443
  492   3HZ   LYS  69          HZ3       LYS  69   6.872  -7.701   4.994
  493    H    CYS  70           H        CYS  70   0.337 -11.400   3.331
  494    HA   CYS  70           HA       CYS  70   1.111 -11.872   0.460
  495   1HB   CYS  70          HB2       CYS  70   1.102 -14.252   0.984
  496   2HB   CYS  70          HB3       CYS  70   2.318 -13.413   1.946
  497    H    HIS  71           H        HIS  71  -1.354 -10.744   2.144
  498    HA   HIS  71           HA       HIS  71  -3.623 -10.974   2.248
  499   1HB   HIS  71          HB2       HIS  71  -3.047 -11.588  -0.670
  500   2HB   HIS  71          HB3       HIS  71  -4.687 -11.431  -0.034
  501    HD1  HIS  71           HD1      HIS  71  -1.764  -9.018   0.840
  502    HD2  HIS  71           HD2      HIS  71  -5.518  -9.222  -1.063
  503    HE1  HIS  71           HE1      HIS  71  -2.398  -6.639   0.223
  504    H    GLY  72           H        GLY  72  -2.389 -13.161   3.414
  505   1HA   GLY  72          HA2       GLY  72  -2.935 -15.196   4.227
  506   2HA   GLY  72          HA3       GLY  72  -4.517 -15.037   3.464
  507    H    HIS  73           H        HIS  73  -2.033 -14.933   1.042
  508    HA   HIS  73           HA       HIS  73  -2.827 -17.577   0.102
  509   1HB   HIS  73          HB2       HIS  73  -0.706 -15.661  -0.927
  510   2HB   HIS  73          HB3       HIS  73  -1.251 -17.140  -1.729
  511    HD1  HIS  73           HD1      HIS  73  -2.628 -13.690  -0.765
  512    HD2  HIS  73           HD2      HIS  73  -3.505 -17.060  -3.118
  513    HE1  HIS  73           HE1      HIS  73  -4.662 -13.074  -2.208
  514    H    GLY  74           H        GLY  74  -0.010 -16.186   1.667
  515   1HA   GLY  74          HA2       GLY  74   1.270 -17.447   3.253
  516   2HA   GLY  74          HA3       GLY  74   1.005 -18.920   2.331
  517    H    ARG  75           H        ARG  75   1.888 -16.284   0.238
  518    HA   ARG  75           HA       ARG  75   4.763 -16.794   0.553
  519   1HB   ARG  75          HB2       ARG  75   5.165 -17.525  -1.612
  520   2HB   ARG  75          HB3       ARG  75   3.839 -18.525  -1.041
  521   1HG   ARG  75          HG2       ARG  75   3.718 -16.193  -3.010
  522   2HG   ARG  75          HG3       ARG  75   3.545 -17.910  -3.358
  523   1HD   ARG  75          HD2       ARG  75   1.592 -16.114  -1.884
  524   2HD   ARG  75          HD3       ARG  75   1.351 -16.894  -3.430
  525    HE   ARG  75           HE       ARG  75   1.027 -18.054  -0.774
  526   1HH1  ARG  75          1HH1      ARG  75   1.740 -18.935  -4.109
  527   2HH1  ARG  75          2HH1      ARG  75   0.960 -20.492  -4.006
  528   1HH2  ARG  75          1HH2      ARG  75  -0.116 -19.969  -0.652
  529   2HH2  ARG  75          2HH2      ARG  75  -0.051 -21.131  -1.957
  530    H    VAL  76           H        VAL  76   6.104 -15.263  -0.551
  531    HA   VAL  76           HA       VAL  76   4.773 -12.723  -1.359
  532    HB   VAL  76           HB       VAL  76   6.491 -11.500  -0.034
  533   1HG1  VAL  76          1HG1      VAL  76   4.204 -11.800   0.847
  534   2HG1  VAL  76          2HG1      VAL  76   4.711 -13.303   1.648
  535   3HG1  VAL  76          3HG1      VAL  76   5.411 -11.758   2.147
  536   1HG2  VAL  76          1HG2      VAL  76   8.187 -13.301   0.230
  537   2HG2  VAL  76          2HG2      VAL  76   7.703 -12.616   1.785
  538   3HG2  VAL  76          3HG2      VAL  76   7.076 -14.195   1.289
  539    H    GLU  77           H        GLU  77   6.175 -11.377  -2.667
  540    HA   GLU  77           HA       GLU  77   7.983 -12.977  -4.361
  541   1HB   GLU  77          HB2       GLU  77   6.197 -11.516  -5.342
  542   2HB   GLU  77          HB3       GLU  77   6.992 -10.114  -4.609
  543   1HG   GLU  77          HG2       GLU  77   9.066 -10.680  -5.993
  544   2HG   GLU  77          HG3       GLU  77   8.117 -11.948  -6.779
  545    H    ARG  78           H        ARG  78  10.165 -12.436  -4.685
  546    HA   ARG  78           HA       ARG  78  11.539 -11.124  -2.487
  547   1HB   ARG  78          HB2       ARG  78  12.248 -13.133  -4.048
  548   2HB   ARG  78          HB3       ARG  78  12.814 -11.878  -5.137
  549   1HG   ARG  78          HG2       ARG  78  14.159 -10.977  -3.106
  550   2HG   ARG  78          HG3       ARG  78  13.671 -12.464  -2.272
  551   1HD   ARG  78          HD2       ARG  78  14.653 -13.782  -4.193
  552   2HD   ARG  78          HD3       ARG  78  15.272 -12.257  -4.862
  553    HE   ARG  78           HE       ARG  78  16.095 -12.489  -2.148
  554   1HH1  ARG  78          1HH1      ARG  78  17.979 -13.561  -1.456
  555   2HH1  ARG  78          2HH1      ARG  78  18.929 -14.508  -2.567
  556   1HH2  ARG  78          1HH2      ARG  78  16.790 -13.913  -5.346
  557   2HH2  ARG  78          2HH2      ARG  78  18.169 -14.804  -4.768
  558    H    SER  79           H        SER  79   9.834  -9.195  -3.411
  559    HA   SER  79           HA       SER  79  10.704  -7.588  -5.552
  560   1HB   SER  79          HB2       SER  79   9.262  -6.678  -3.030
  561   2HB   SER  79          HB3       SER  79   9.167  -5.953  -4.646
  562    HG   SER  79           HG       SER  79   8.219  -7.961  -5.359
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1  20.313   0.845  -5.287
    2   1HA   GLY   1          HA2       GLY   1  22.512  -0.096  -3.922
    3   2HA   GLY   1          HA3       GLY   1  21.394   0.348  -2.615
    4    H    VAL   2           H        VAL   2  19.135  -0.523  -2.823
    5    HA   VAL   2           HA       VAL   2  19.022  -3.336  -3.144
    6    HB   VAL   2           HB       VAL   2  16.768  -1.285  -3.254
    7   1HG1  VAL   2          1HG1      VAL   2  16.007  -3.480  -4.099
    8   2HG1  VAL   2          2HG1      VAL   2  16.711  -4.279  -2.674
    9   3HG1  VAL   2          3HG1      VAL   2  15.337  -3.170  -2.495
   10   1HG2  VAL   2          1HG2      VAL   2  17.952  -2.873  -0.928
   11   2HG2  VAL   2          2HG2      VAL   2  18.059  -1.114  -1.146
   12   3HG2  VAL   2          3HG2      VAL   2  16.492  -1.867  -0.844
   13    H    THR   3           H        THR   3  18.500  -0.667  -5.399
   14    HA   THR   3           HA       THR   3  17.389  -2.014  -7.622
   15    HB   THR   3           HB       THR   3  18.523   0.118  -8.687
   16    HG1  THR   3           HG1      THR   3  19.101   1.625  -7.045
   17   1HG2  THR   3          1HG2      THR   3  16.523   0.404  -6.390
   18   2HG2  THR   3          2HG2      THR   3  16.799   1.588  -7.684
   19   3HG2  THR   3          3HG2      THR   3  16.126  -0.003  -8.072
   20    H    LYS   4           H        LYS   4  20.721  -1.658  -6.437
   21    HA   LYS   4           HA       LYS   4  21.925  -2.607  -8.952
   22   1HB   LYS   4          HB2       LYS   4  23.201  -2.030  -6.245
   23   2HB   LYS   4          HB3       LYS   4  24.022  -2.261  -7.794
   24   1HG   LYS   4          HG2       LYS   4  22.898  -0.218  -8.682
   25   2HG   LYS   4          HG3       LYS   4  22.101   0.015  -7.113
   26   1HD   LYS   4          HD2       LYS   4  24.339   0.171  -6.007
   27   2HD   LYS   4          HD3       LYS   4  25.116  -0.025  -7.587
   28   1HE   LYS   4          HE2       LYS   4  25.077   2.334  -6.990
   29   2HE   LYS   4          HE3       LYS   4  24.017   2.070  -8.384
   30   1HZ   LYS   4          HZ1       LYS   4  23.039   3.488  -6.718
   31   2HZ   LYS   4          HZ2       LYS   4  22.152   2.112  -6.894
   32   3HZ   LYS   4          HZ3       LYS   4  23.132   2.295  -5.585
   33    H    GLU   5           H        GLU   5  21.306  -3.666  -5.626
   34    HA   GLU   5           HA       GLU   5  22.635  -6.159  -5.649
   35   1HB   GLU   5          HB2       GLU   5  20.157  -5.148  -4.230
   36   2HB   GLU   5          HB3       GLU   5  20.907  -6.701  -3.827
   37   1HG   GLU   5          HG2       GLU   5  22.858  -5.676  -2.963
   38   2HG   GLU   5          HG3       GLU   5  22.557  -4.147  -3.791
   39    H    ILE   6           H        ILE   6  21.947  -8.253  -6.167
   40    HA   ILE   6           HA       ILE   6  20.230  -8.453  -8.460
   41    HB   ILE   6           HB       ILE   6  20.764 -10.888  -8.299
   42   1HG1  ILE   6          2HG1      ILE   6  22.761 -10.152  -6.118
   43   2HG1  ILE   6          3HG1      ILE   6  21.165 -10.781  -5.707
   44   1HG2  ILE   6          1HG2      ILE   6  23.123  -8.958  -8.229
   45   2HG2  ILE   6          2HG2      ILE   6  23.101 -10.563  -8.985
   46   3HG2  ILE   6          3HG2      ILE   6  22.076  -9.276  -9.625
   47   1HD1  ILE   6          1HD1      ILE   6  22.764 -12.595  -5.756
   48   2HD1  ILE   6          2HD1      ILE   6  21.592 -12.805  -7.071
   49   3HD1  ILE   6          3HD1      ILE   6  23.233 -12.212  -7.420
   50    H    ARG   7           H        ARG   7  18.345  -7.470  -7.209
   51    HA   ARG   7           HA       ARG   7  16.738  -9.350  -5.608
   52   1HB   ARG   7          HB2       ARG   7  16.407  -6.507  -6.535
   53   2HB   ARG   7          HB3       ARG   7  15.005  -7.426  -5.980
   54   1HG   ARG   7          HG2       ARG   7  16.016  -6.118  -4.174
   55   2HG   ARG   7          HG3       ARG   7  15.915  -7.849  -3.834
   56   1HD   ARG   7          HD2       ARG   7  18.346  -8.101  -4.356
   57   2HD   ARG   7          HD3       ARG   7  18.377  -6.405  -4.865
   58    HE   ARG   7           HE       ARG   7  18.720  -5.817  -2.698
   59   1HH1  ARG   7          1HH1      ARG   7  19.252  -6.200  -0.595
   60   2HH1  ARG   7          2HH1      ARG   7  18.621  -7.577   0.285
   61   1HH2  ARG   7          1HH2      ARG   7  17.153  -8.996  -2.637
   62   2HH2  ARG   7          2HH2      ARG   7  17.421  -9.226  -0.930
   63    H    ILE   8           H        ILE   8  17.291 -10.818  -7.625
   64    HA   ILE   8           HA       ILE   8  15.521 -10.588  -9.856
   65    HB   ILE   8           HB       ILE   8  16.147 -12.978 -10.287
   66   1HG1  ILE   8          2HG1      ILE   8  18.180 -12.570  -8.053
   67   2HG1  ILE   8          3HG1      ILE   8  16.726 -13.562  -7.894
   68   1HG2  ILE   8          1HG2      ILE   8  18.381 -12.317 -11.083
   69   2HG2  ILE   8          2HG2      ILE   8  17.260 -10.976 -11.283
   70   3HG2  ILE   8          3HG2      ILE   8  18.416 -10.960  -9.938
   71   1HD1  ILE   8          1HD1      ILE   8  19.020 -14.055  -9.819
   72   2HD1  ILE   8          2HD1      ILE   8  18.564 -15.002  -8.398
   73   3HD1  ILE   8          3HD1      ILE   8  17.490 -14.965  -9.809
   74    HA   PRO   9           HA       PRO   9  11.685 -11.816  -7.901
   75   1HB   PRO   9          HB2       PRO   9  11.333 -13.229 -10.563
   76   2HB   PRO   9          HB3       PRO   9  10.116 -12.336  -9.614
   77   1HG   PRO   9          HG2       PRO   9  11.356 -11.116 -11.681
   78   2HG   PRO   9          HG3       PRO   9  11.204 -10.240 -10.129
   79   1HD   PRO   9          HD2       PRO   9  13.620 -11.714 -11.213
   80   2HD   PRO   9          HD3       PRO   9  13.503 -10.121 -10.397
   81    H    THR  10           H        THR  10  12.176 -13.269  -6.275
   82    HA   THR  10           HA       THR  10  12.224 -16.163  -6.980
   83    HB   THR  10           HB       THR  10  13.917 -14.926  -4.768
   84    HG1  THR  10           HG1      THR  10  14.616 -14.218  -6.863
   85   1HG2  THR  10          1HG2      THR  10  14.012 -17.598  -6.232
   86   2HG2  THR  10          2HG2      THR  10  15.097 -17.088  -4.923
   87   3HG2  THR  10          3HG2      THR  10  13.373 -17.357  -4.584
   88    H    LEU  11           H        LEU  11  10.651 -17.239  -5.805
   89    HA   LEU  11           HA       LEU  11   8.979 -15.665  -4.020
   90   1HB   LEU  11          HB2       LEU  11   8.887 -18.627  -4.690
   91   2HB   LEU  11          HB3       LEU  11   7.627 -17.691  -3.875
   92    HG   LEU  11           HG       LEU  11   8.589 -17.308  -6.753
   93   1HD1  LEU  11          1HD1      LEU  11   6.352 -18.090  -7.359
   94   2HD1  LEU  11          2HD1      LEU  11   7.201 -19.311  -6.394
   95   3HD1  LEU  11          3HD1      LEU  11   5.938 -18.313  -5.648
   96   1HD2  LEU  11          1HD2      LEU  11   6.632 -15.712  -6.902
   97   2HD2  LEU  11          2HD2      LEU  11   6.526 -15.757  -5.128
   98   3HD2  LEU  11          3HD2      LEU  11   7.979 -15.123  -5.928
   99    H    GLU  12           H        GLU  12   8.881 -15.688  -1.826
  100    HA   GLU  12           HA       GLU  12  10.628 -17.568  -0.299
  101   1HB   GLU  12          HB2       GLU  12  10.377 -14.554   0.118
  102   2HB   GLU  12          HB3       GLU  12  11.297 -15.680   1.129
  103   1HG   GLU  12          HG2       GLU  12  12.721 -16.244  -0.870
  104   2HG   GLU  12          HG3       GLU  12  11.863 -15.002  -1.796
  105    H    GLU  13           H        GLU  13   9.741 -18.122   1.754
  106    HA   GLU  13           HA       GLU  13   6.880 -17.910   1.887
  107   1HB   GLU  13          HB2       GLU  13   6.955 -19.266   3.764
  108   2HB   GLU  13          HB3       GLU  13   8.302 -19.829   2.784
  109   1HG   GLU  13          HG2       GLU  13   9.859 -18.507   4.266
  110   2HG   GLU  13          HG3       GLU  13   8.468 -18.005   5.249
  111    H    CYS  14           H        CYS  14   5.579 -16.666   3.299
  112    HA   CYS  14           HA       CYS  14   6.787 -14.131   4.155
  113   1HB   CYS  14          HB2       CYS  14   4.570 -14.268   3.063
  114   2HB   CYS  14          HB3       CYS  14   3.993 -15.202   4.437
  115    H    ASP  15           H        ASP  15   8.210 -14.757   5.759
  116    HA   ASP  15           HA       ASP  15   7.964 -16.497   7.871
  117   1HB   ASP  15          HB2       ASP  15   9.674 -15.250   8.989
  118   2HB   ASP  15          HB3       ASP  15  10.010 -15.188   7.256
  119    H    VAL  16           H        VAL  16   6.667 -13.220   7.679
  120    HA   VAL  16           HA       VAL  16   5.782 -12.735  10.291
  121    HB   VAL  16           HB       VAL  16   4.537 -11.997   7.615
  122   1HG1  VAL  16          1HG1      VAL  16   3.491 -10.119   8.777
  123   2HG1  VAL  16          2HG1      VAL  16   2.896 -11.660   9.398
  124   3HG1  VAL  16          3HG1      VAL  16   4.102 -10.725  10.331
  125   1HG2  VAL  16          1HG2      VAL  16   5.714  -9.809   8.107
  126   2HG2  VAL  16          2HG2      VAL  16   6.545 -10.608   9.448
  127   3HG2  VAL  16          3HG2      VAL  16   6.821 -11.148   7.777
  128    H    CYS  17           H        CYS  17   4.167 -14.733   7.777
  129    HA   CYS  17           HA       CYS  17   2.204 -15.631   9.882
  130   1HB   CYS  17          HB2       CYS  17   0.811 -16.348   8.034
  131   2HB   CYS  17          HB3       CYS  17   1.070 -14.600   8.070
  132    H    HIS  18           H        HIS  18   5.106 -16.462   9.188
  133    HA   HIS  18           HA       HIS  18   6.343 -18.325   9.052
  134   1HB   HIS  18          HB2       HIS  18   3.944 -19.728  10.249
  135   2HB   HIS  18          HB3       HIS  18   5.652 -20.134  10.458
  136    HD1  HIS  18           HD1      HIS  18   6.195 -16.776  11.084
  137    HD2  HIS  18           HD2      HIS  18   3.565 -19.522  12.896
  138    HE1  HIS  18           HE1      HIS  18   5.603 -15.825  13.368
  139    H    GLY  19           H        GLY  19   4.995 -17.631   6.696
  140   1HA   GLY  19          HA2       GLY  19   4.851 -18.510   4.603
  141   2HA   GLY  19          HA3       GLY  19   5.235 -20.109   5.231
  142    H    SER  20           H        SER  20   2.525 -19.173   7.035
  143    HA   SER  20           HA       SER  20   0.893 -20.985   5.429
  144   1HB   SER  20          HB2       SER  20  -0.761 -20.761   7.130
  145   2HB   SER  20          HB3       SER  20   0.809 -21.089   7.869
  146    HG   SER  20           HG       SER  20   0.922 -18.942   8.519
  147    H    GLY  21           H        GLY  21  -0.017 -17.868   6.758
  148   1HA   GLY  21          HA2       GLY  21  -0.512 -16.166   4.715
  149   2HA   GLY  21          HA3       GLY  21  -1.828 -17.317   4.482
  150    H    ALA  22           H        ALA  22  -1.731 -17.651   7.682
  151    HA   ALA  22           HA       ALA  22  -3.760 -15.557   8.094
  152   1HB   ALA  22          HB1       ALA  22  -2.719 -17.678   9.993
  153   2HB   ALA  22          HB2       ALA  22  -4.165 -16.668  10.193
  154   3HB   ALA  22          HB3       ALA  22  -4.115 -17.867   8.894
  155    H    LYS  23           H        LYS  23  -3.509 -13.753   9.449
  156    HA   LYS  23           HA       LYS  23  -0.988 -12.642   9.650
  157   1HB   LYS  23          HB2       LYS  23  -2.021 -10.847  10.971
  158   2HB   LYS  23          HB3       LYS  23  -2.995 -11.376   9.628
  159   1HG   LYS  23          HG2       LYS  23  -4.507 -11.007  11.357
  160   2HG   LYS  23          HG3       LYS  23  -4.378 -12.749  11.160
  161   1HD   LYS  23          HD2       LYS  23  -4.557 -12.137  13.497
  162   2HD   LYS  23          HD3       LYS  23  -3.006 -12.908  13.212
  163   1HE   LYS  23          HE2       LYS  23  -1.918 -10.646  13.192
  164   2HE   LYS  23          HE3       LYS  23  -3.505  -9.911  13.504
  165   1HZ   LYS  23          HZ1       LYS  23  -2.233 -10.215  15.494
  166   2HZ   LYS  23          HZ2       LYS  23  -3.561 -11.193  15.547
  167   3HZ   LYS  23          HZ3       LYS  23  -2.077 -11.833  15.205
  168    HA   PRO  24           HA       PRO  24   1.599 -13.998  12.814
  169   1HB   PRO  24          HB2       PRO  24   1.110 -11.360  14.229
  170   2HB   PRO  24          HB3       PRO  24   2.638 -12.290  14.115
  171   1HG   PRO  24          HG2       PRO  24   2.218 -10.308  12.345
  172   2HG   PRO  24          HG3       PRO  24   2.763 -11.910  11.762
  173   1HD   PRO  24          HD2       PRO  24  -0.007 -10.747  11.738
  174   2HD   PRO  24          HD3       PRO  24   0.821 -11.661  10.446
  175    H    GLY  25           H        GLY  25   1.423 -15.335  14.595
  176   1HA   GLY  25          HA2       GLY  25   0.736 -16.202  16.595
  177   2HA   GLY  25          HA3       GLY  25  -0.197 -14.736  16.916
  178    H    THR  26           H        THR  26  -2.153 -14.566  15.167
  179    HA   THR  26           HA       THR  26  -3.899 -16.741  15.854
  180    HB   THR  26           HB       THR  26  -4.469 -14.596  13.801
  181    HG1  THR  26           HG1      THR  26  -5.120 -13.364  15.651
  182   1HG2  THR  26          1HG2      THR  26  -6.173 -16.048  15.888
  183   2HG2  THR  26          2HG2      THR  26  -6.755 -14.784  14.790
  184   3HG2  THR  26          3HG2      THR  26  -6.202 -16.334  14.131
  185    H    GLN  27           H        GLN  27  -2.637 -18.470  14.963
  186    HA   GLN  27           HA       GLN  27  -1.946 -18.854  12.307
  187   1HB   GLN  27          HB2       GLN  27  -1.958 -21.294  12.897
  188   2HB   GLN  27          HB3       GLN  27  -1.167 -20.301  14.111
  189   1HG   GLN  27          HG2       GLN  27  -2.796 -20.669  15.702
  190   2HG   GLN  27          HG3       GLN  27  -4.108 -20.839  14.540
  191   1HE2  GLN  27          1HE2      GLN  27  -3.654 -24.321  13.987
  192   2HE2  GLN  27          2HE2      GLN  27  -4.300 -22.855  13.263
  193    HA   PRO  28           HA       PRO  28  -5.569 -19.743   9.921
  194   1HB   PRO  28          HB2       PRO  28  -4.425 -22.451   9.313
  195   2HB   PRO  28          HB3       PRO  28  -5.093 -21.256   8.152
  196   1HG   PRO  28          HG2       PRO  28  -2.423 -21.623   8.397
  197   2HG   PRO  28          HG3       PRO  28  -3.052 -19.944   8.326
  198   1HD   PRO  28          HD2       PRO  28  -2.292 -21.574  10.742
  199   2HD   PRO  28          HD3       PRO  28  -1.848 -19.884  10.359
  200    H    GLN  29           H        GLN  29  -7.557 -21.021  10.000
  201    HA   GLN  29           HA       GLN  29  -7.747 -22.655  12.509
  202   1HB   GLN  29          HB2       GLN  29  -9.909 -21.348  10.829
  203   2HB   GLN  29          HB3       GLN  29 -10.138 -22.198  12.363
  204   1HG   GLN  29          HG2       GLN  29  -8.501 -19.634  11.977
  205   2HG   GLN  29          HG3       GLN  29 -10.104 -19.765  12.699
  206   1HE2  GLN  29          1HE2      GLN  29  -6.897 -20.467  15.052
  207   2HE2  GLN  29          2HE2      GLN  29  -6.664 -19.930  13.403
  208    H    THR  30           H        THR  30  -8.248 -24.832  12.478
  209    HA   THR  30           HA       THR  30  -7.781 -26.406  10.287
  210    HB   THR  30           HB       THR  30  -9.791 -27.075  12.481
  211    HG1  THR  30           HG1      THR  30  -6.958 -26.976  12.709
  212   1HG2  THR  30          1HG2      THR  30  -7.575 -28.699  11.137
  213   2HG2  THR  30          2HG2      THR  30  -8.651 -29.271  12.429
  214   3HG2  THR  30          3HG2      THR  30  -9.321 -28.862  10.841
  215    H    CYS  31           H        CYS  31  -8.940 -26.844   8.393
  216    HA   CYS  31           HA       CYS  31 -11.489 -25.609   7.972
  217   1HB   CYS  31          HB2       CYS  31  -9.888 -26.115   6.164
  218   2HB   CYS  31          HB3       CYS  31 -10.177 -27.839   6.406
  219    HA   PRO  32           HA       PRO  32 -13.567 -29.034  10.107
  220   1HB   PRO  32          HB2       PRO  32 -16.125 -28.142  10.163
  221   2HB   PRO  32          HB3       PRO  32 -14.814 -27.427  11.157
  222   1HG   PRO  32          HG2       PRO  32 -15.853 -26.400   8.496
  223   2HG   PRO  32          HG3       PRO  32 -15.630 -25.482  10.013
  224   1HD   PRO  32          HD2       PRO  32 -13.747 -25.513   8.048
  225   2HD   PRO  32          HD3       PRO  32 -13.289 -25.467   9.775
  226    H    THR  33           H        THR  33 -14.654 -27.673   6.963
  227    HA   THR  33           HA       THR  33 -16.396 -29.522   6.042
  228    HB   THR  33           HB       THR  33 -14.185 -28.408   4.302
  229    HG1  THR  33           HG1      THR  33 -16.331 -26.969   5.472
  230   1HG2  THR  33          1HG2      THR  33 -17.207 -28.589   3.924
  231   2HG2  THR  33          2HG2      THR  33 -16.038 -27.948   2.751
  232   3HG2  THR  33          3HG2      THR  33 -16.004 -29.667   3.190
  233    H    CYS  34           H        CYS  34 -12.863 -29.929   6.182
  234    HA   CYS  34           HA       CYS  34 -13.153 -32.795   5.312
  235   1HB   CYS  34          HB2       CYS  34 -10.723 -32.534   4.609
  236   2HB   CYS  34          HB3       CYS  34 -11.911 -31.819   3.561
  237    H    HIS  35           H        HIS  35 -13.129 -31.203   8.040
  238    HA   HIS  35           HA       HIS  35 -12.222 -31.413  10.118
  239   1HB   HIS  35          HB2       HIS  35 -11.691 -34.288   9.266
  240   2HB   HIS  35          HB3       HIS  35 -11.881 -33.682  10.910
  241    HD1  HIS  35           HD1      HIS  35 -14.658 -32.036   9.302
  242    HD2  HIS  35           HD2      HIS  35 -13.686 -36.015  10.286
  243    HE1  HIS  35           HE1      HIS  35 -16.847 -33.325   9.379
  244    H    GLY  36           H        GLY  36 -10.431 -30.292   8.298
  245   1HA   GLY  36          HA2       GLY  36  -8.238 -29.642   8.232
  246   2HA   GLY  36          HA3       GLY  36  -7.884 -30.711   9.592
  247    H    SER  37           H        SER  37  -9.194 -32.844   7.449
  248    HA   SER  37           HA       SER  37  -6.734 -34.066   6.856
  249   1HB   SER  37          HB2       SER  37  -9.395 -34.592   5.496
  250   2HB   SER  37          HB3       SER  37  -8.050 -35.724   5.767
  251    HG   SER  37           HG       SER  37  -9.922 -34.625   7.565
  252    H    GLY  38           H        GLY  38  -8.581 -31.746   5.032
  253   1HA   GLY  38          HA2       GLY  38  -7.607 -30.352   3.380
  254   2HA   GLY  38          HA3       GLY  38  -6.445 -31.602   2.962
  255    H    GLN  39           H        GLN  39  -9.078 -33.500   2.932
  256    HA   GLN  39           HA       GLN  39 -10.072 -32.619   0.279
  257   1HB   GLN  39          HB2       GLN  39 -10.038 -35.228  -0.184
  258   2HB   GLN  39          HB3       GLN  39  -8.707 -34.159  -0.608
  259   1HG   GLN  39          HG2       GLN  39  -7.916 -36.261   0.376
  260   2HG   GLN  39          HG3       GLN  39  -7.398 -34.845   1.288
  261   1HE2  GLN  39          1HE2      GLN  39  -9.849 -37.604   3.063
  262   2HE2  GLN  39          2HE2      GLN  39  -9.483 -37.750   1.352
  263    H    VAL  40           H        VAL  40 -12.063 -33.241  -0.265
  264    HA   VAL  40           HA       VAL  40 -13.904 -33.940   1.982
  265    HB   VAL  40           HB       VAL  40 -15.641 -33.220   0.260
  266   1HG1  VAL  40          1HG1      VAL  40 -15.026 -31.770   2.112
  267   2HG1  VAL  40          2HG1      VAL  40 -13.674 -31.099   1.164
  268   3HG1  VAL  40          3HG1      VAL  40 -15.355 -30.838   0.632
  269   1HG2  VAL  40          1HG2      VAL  40 -14.132 -33.381  -1.741
  270   2HG2  VAL  40          2HG2      VAL  40 -15.003 -31.842  -1.612
  271   3HG2  VAL  40          3HG2      VAL  40 -13.288 -31.913  -1.190
  272    H    GLN  41           H        GLN  41 -15.514 -35.580   1.548
  273    HA   GLN  41           HA       GLN  41 -14.908 -37.405  -0.704
  274   1HB   GLN  41          HB2       GLN  41 -13.995 -38.245   1.484
  275   2HB   GLN  41          HB3       GLN  41 -15.655 -38.353   2.080
  276   1HG   GLN  41          HG2       GLN  41 -16.221 -39.975   0.322
  277   2HG   GLN  41          HG3       GLN  41 -14.693 -39.694  -0.500
  278   1HE2  GLN  41          1HE2      GLN  41 -13.811 -42.753   1.143
  279   2HE2  GLN  41          2HE2      GLN  41 -14.450 -42.074  -0.354
  280    H    MET  42           H        MET  42 -16.598 -37.362  -2.016
  281    HA   MET  42           HA       MET  42 -19.221 -36.400  -1.127
  282   1HB   MET  42          HB2       MET  42 -18.309 -37.527  -3.811
  283   2HB   MET  42          HB3       MET  42 -19.860 -36.763  -3.453
  284   1HG   MET  42          HG2       MET  42 -18.216 -34.799  -2.544
  285   2HG   MET  42          HG3       MET  42 -17.124 -35.564  -3.698
  286   1HE   MET  42          HE1       MET  42 -21.083 -33.396  -4.680
  287   2HE   MET  42          HE2       MET  42 -21.084 -34.950  -3.821
  288   3HE   MET  42          HE3       MET  42 -20.348 -33.519  -3.065
  289    H    ARG  43           H        ARG  43 -19.309 -38.070   0.541
  290    HA   ARG  43           HA       ARG  43 -19.649 -40.865  -0.074
  291   1HB   ARG  43          HB2       ARG  43 -20.396 -39.242   2.385
  292   2HB   ARG  43          HB3       ARG  43 -20.455 -41.013   2.281
  293   1HG   ARG  43          HG2       ARG  43 -18.065 -41.122   1.775
  294   2HG   ARG  43          HG3       ARG  43 -17.947 -39.353   1.820
  295   1HD   ARG  43          HD2       ARG  43 -18.581 -39.334   4.180
  296   2HD   ARG  43          HD3       ARG  43 -18.706 -41.113   4.176
  297    HE   ARG  43           HE       ARG  43 -16.170 -40.564   3.169
  298   1HH1  ARG  43          1HH1      ARG  43 -17.826 -39.897   6.219
  299   2HH1  ARG  43          2HH1      ARG  43 -16.347 -39.795   7.137
  300   1HH2  ARG  43          1HH2      ARG  43 -14.325 -40.447   4.268
  301   2HH2  ARG  43          2HH2      ARG  43 -14.262 -40.138   5.998
  302    H    GLN  44           H        GLN  44 -21.202 -40.112  -1.958
  303    HA   GLN  44           HA       GLN  44 -24.005 -39.804  -1.209
  304   1HB   GLN  44          HB2       GLN  44 -24.415 -39.828  -3.590
  305   2HB   GLN  44          HB3       GLN  44 -23.074 -38.764  -3.187
  306   1HG   GLN  44          HG2       GLN  44 -22.002 -39.744  -4.904
  307   2HG   GLN  44          HG3       GLN  44 -21.658 -41.048  -3.775
  308   1HE2  GLN  44          1HE2      GLN  44 -24.658 -41.576  -6.598
  309   2HE2  GLN  44          2HE2      GLN  44 -24.356 -39.971  -5.958
  310    H    GLY  45           H        GLY  45 -23.163 -41.956   0.199
  311   1HA   GLY  45          HA2       GLY  45 -23.887 -44.067   0.717
  312   2HA   GLY  45          HA3       GLY  45 -24.906 -44.072  -0.726
  313    H    PHE  46           H        PHE  46 -23.371 -44.086  -2.863
  314    HA   PHE  46           HA       PHE  46 -21.726 -46.558  -2.531
  315   1HB   PHE  46          HB2       PHE  46 -23.753 -46.639  -3.927
  316   2HB   PHE  46          HB3       PHE  46 -23.055 -45.462  -5.026
  317    HD1  PHE  46           HD1      PHE  46 -22.513 -48.845  -3.487
  318    HD2  PHE  46           HD2      PHE  46 -21.566 -46.216  -6.773
  319    HE1  PHE  46           HE1      PHE  46 -21.366 -50.707  -4.655
  320    HE2  PHE  46           HE2      PHE  46 -20.430 -48.081  -7.935
  321    HZ   PHE  46           HZ       PHE  46 -20.323 -50.330  -6.881
  322    H    PHE  47           H        PHE  47 -21.590 -43.892  -4.973
  323    HA   PHE  47           HA       PHE  47 -18.757 -44.336  -5.339
  324   1HB   PHE  47          HB2       PHE  47 -20.553 -42.105  -6.353
  325   2HB   PHE  47          HB3       PHE  47 -18.910 -42.413  -6.874
  326    HD1  PHE  47           HD1      PHE  47 -22.304 -43.030  -7.689
  327    HD2  PHE  47           HD2      PHE  47 -18.378 -44.822  -7.803
  328    HE1  PHE  47           HE1      PHE  47 -23.037 -44.530  -9.513
  329    HE2  PHE  47           HE2      PHE  47 -19.107 -46.283  -9.666
  330    HZ   PHE  47           HZ       PHE  47 -21.443 -46.156 -10.510
  331    H    ALA  48           H        ALA  48 -18.364 -44.022  -2.935
  332    HA   ALA  48           HA       ALA  48 -18.279 -41.329  -1.865
  333   1HB   ALA  48          HB1       ALA  48 -16.919 -43.891  -0.950
  334   2HB   ALA  48          HB2       ALA  48 -17.071 -42.397  -0.003
  335   3HB   ALA  48          HB3       ALA  48 -18.522 -43.318  -0.444
  336    H    VAL  49           H        VAL  49 -17.178 -40.725  -4.107
  337    HA   VAL  49           HA       VAL  49 -14.289 -41.152  -4.158
  338    HB   VAL  49           HB       VAL  49 -14.326 -39.634  -6.119
  339   1HG1  VAL  49          1HG1      VAL  49 -16.278 -41.962  -6.129
  340   2HG1  VAL  49          2HG1      VAL  49 -15.454 -41.276  -7.553
  341   3HG1  VAL  49          3HG1      VAL  49 -14.508 -42.054  -6.263
  342   1HG2  VAL  49          1HG2      VAL  49 -16.419 -38.949  -7.137
  343   2HG2  VAL  49          2HG2      VAL  49 -17.364 -39.629  -5.807
  344   3HG2  VAL  49          3HG2      VAL  49 -16.303 -38.233  -5.523
  345    H    GLN  50           H        GLN  50 -12.686 -39.567  -4.080
  346    HA   GLN  50           HA       GLN  50 -13.286 -37.429  -2.138
  347   1HB   GLN  50          HB2       GLN  50 -10.805 -39.056  -2.738
  348   2HB   GLN  50          HB3       GLN  50 -10.782 -37.593  -1.719
  349   1HG   GLN  50          HG2       GLN  50 -12.519 -38.572  -0.263
  350   2HG   GLN  50          HG3       GLN  50 -12.506 -40.059  -1.241
  351   1HE2  GLN  50          1HE2      GLN  50 -10.248 -41.322   1.158
  352   2HE2  GLN  50          2HE2      GLN  50 -11.841 -41.443   0.425
  353    H    GLN  51           H        GLN  51 -12.352 -35.383  -2.309
  354    HA   GLN  51           HA       GLN  51 -11.066 -34.633  -4.875
  355   1HB   GLN  51          HB2       GLN  51 -13.343 -32.982  -3.772
  356   2HB   GLN  51          HB3       GLN  51 -12.602 -32.884  -5.356
  357   1HG   GLN  51          HG2       GLN  51 -13.742 -34.885  -6.107
  358   2HG   GLN  51          HG3       GLN  51 -14.338 -35.250  -4.479
  359   1HE2  GLN  51          1HE2      GLN  51 -16.747 -32.569  -4.379
  360   2HE2  GLN  51          2HE2      GLN  51 -15.496 -33.277  -3.377
  361    H    THR  52           H        THR  52  -9.808 -32.645  -4.595
  362    HA   THR  52           HA       THR  52  -8.801 -32.130  -1.993
  363    HB   THR  52           HB       THR  52  -8.877 -30.276  -4.422
  364    HG1  THR  52           HG1      THR  52  -7.097 -32.406  -3.820
  365   1HG2  THR  52          1HG2      THR  52  -6.888 -30.612  -2.133
  366   2HG2  THR  52          2HG2      THR  52  -6.673 -29.537  -3.536
  367   3HG2  THR  52          3HG2      THR  52  -7.991 -29.238  -2.385
  368    H    CYS  53           H        CYS  53  -9.537 -30.621  -0.377
  369    HA   CYS  53           HA       CYS  53 -12.245 -29.686  -0.674
  370   1HB   CYS  53          HB2       CYS  53 -11.278 -30.380   1.474
  371   2HB   CYS  53          HB3       CYS  53 -10.165 -29.012   1.399
  372    HA   PRO  54           HA       PRO  54 -10.707 -25.978  -2.824
  373   1HB   PRO  54          HB2       PRO  54 -13.068 -24.757  -3.446
  374   2HB   PRO  54          HB3       PRO  54 -12.478 -26.226  -4.276
  375   1HG   PRO  54          HG2       PRO  54 -14.479 -26.081  -2.006
  376   2HG   PRO  54          HG3       PRO  54 -14.620 -26.980  -3.541
  377   1HD   PRO  54          HD2       PRO  54 -13.780 -28.177  -1.248
  378   2HD   PRO  54          HD3       PRO  54 -13.097 -28.624  -2.838
  379    H    HIS  55           H        HIS  55 -13.158 -25.840  -0.259
  380    HA   HIS  55           HA       HIS  55 -13.223 -23.227   0.494
  381   1HB   HIS  55          HB2       HIS  55 -14.540 -25.127   1.419
  382   2HB   HIS  55          HB3       HIS  55 -13.117 -25.657   2.322
  383    HD1  HIS  55           HD1      HIS  55 -14.738 -25.432   4.504
  384    HD2  HIS  55           HD2      HIS  55 -13.792 -21.879   2.429
  385    HE1  HIS  55           HE1      HIS  55 -15.360 -23.489   6.033
  386    H    CYS  56           H        CYS  56 -10.694 -25.570   1.376
  387    HA   CYS  56           HA       CYS  56  -9.011 -23.365   2.537
  388   1HB   CYS  56          HB2       CYS  56  -7.953 -25.119   3.863
  389   2HB   CYS  56          HB3       CYS  56  -9.675 -24.994   4.209
  390    H    GLN  57           H        GLN  57  -9.318 -24.454  -0.345
  391    HA   GLN  57           HA       GLN  57  -8.002 -25.074  -2.091
  392   1HB   GLN  57          HB2       GLN  57  -5.953 -23.389  -0.579
  393   2HB   GLN  57          HB3       GLN  57  -5.986 -23.734  -2.310
  394   1HG   GLN  57          HG2       GLN  57  -6.818 -21.550  -2.095
  395   2HG   GLN  57          HG3       GLN  57  -8.235 -22.548  -2.428
  396   1HE2  GLN  57          1HE2      GLN  57  -9.868 -21.602   0.599
  397   2HE2  GLN  57          2HE2      GLN  57  -9.954 -22.440  -0.931
  398    H    GLY  58           H        GLY  58  -8.096 -27.157  -0.268
  399   1HA   GLY  58          HA2       GLY  58  -7.090 -29.184   0.061
  400   2HA   GLY  58          HA3       GLY  58  -5.769 -28.679  -0.995
  401    H    ARG  59           H        ARG  59  -5.679 -26.317   1.343
  402    HA   ARG  59           HA       ARG  59  -3.348 -27.510   2.580
  403   1HB   ARG  59          HB2       ARG  59  -4.847 -24.958   3.289
  404   2HB   ARG  59          HB3       ARG  59  -3.205 -25.409   3.767
  405   1HG   ARG  59          HG2       ARG  59  -2.458 -25.308   1.421
  406   2HG   ARG  59          HG3       ARG  59  -4.092 -24.818   0.908
  407   1HD   ARG  59          HD2       ARG  59  -4.007 -22.836   2.339
  408   2HD   ARG  59          HD3       ARG  59  -2.440 -23.361   3.003
  409    HE   ARG  59           HE       ARG  59  -2.335 -23.066   0.134
  410   1HH1  ARG  59          1HH1      ARG  59  -0.974 -21.363  -0.651
  411   2HH1  ARG  59          2HH1      ARG  59  -0.594 -19.997   0.374
  412   1HH2  ARG  59          1HH2      ARG  59  -2.408 -21.241   3.142
  413   2HH2  ARG  59          2HH2      ARG  59  -1.236 -20.049   2.664
  414    H    GLY  60           H        GLY  60  -6.643 -27.795   3.330
  415   1HA   GLY  60          HA2       GLY  60  -7.794 -28.616   5.180
  416   2HA   GLY  60          HA3       GLY  60  -6.237 -29.095   5.856
  417    H    THR  61           H        THR  61  -6.048 -25.786   5.183
  418    HA   THR  61           HA       THR  61  -6.845 -24.945   7.918
  419    HB   THR  61           HB       THR  61  -4.704 -23.455   7.410
  420    HG1  THR  61           HG1      THR  61  -4.037 -25.860   6.063
  421   1HG2  THR  61          1HG2      THR  61  -4.949 -24.981   9.359
  422   2HG2  THR  61          2HG2      THR  61  -4.526 -26.365   8.329
  423   3HG2  THR  61          3HG2      THR  61  -3.323 -25.098   8.658
  424    H    LEU  62           H        LEU  62  -7.972 -23.137   8.010
  425    HA   LEU  62           HA       LEU  62  -8.598 -21.667   5.518
  426   1HB   LEU  62          HB2       LEU  62  -9.969 -21.788   8.229
  427   2HB   LEU  62          HB3       LEU  62 -10.487 -20.767   6.883
  428    HG   LEU  62           HG       LEU  62 -10.314 -23.800   6.719
  429   1HD1  LEU  62          1HD1      LEU  62 -11.994 -23.111   8.386
  430   2HD1  LEU  62          2HD1      LEU  62 -12.715 -21.984   7.214
  431   3HD1  LEU  62          3HD1      LEU  62 -12.778 -23.731   6.920
  432   1HD2  LEU  62          1HD2      LEU  62 -11.734 -23.492   4.717
  433   2HD2  LEU  62          2HD2      LEU  62 -11.669 -21.729   4.921
  434   3HD2  LEU  62          3HD2      LEU  62 -10.209 -22.636   4.502
  435    H    ILE  63           H        ILE  63  -7.746 -19.840   5.155
  436    HA   ILE  63           HA       ILE  63  -6.168 -18.335   7.112
  437    HB   ILE  63           HB       ILE  63  -6.854 -17.763   4.193
  438   1HG1  ILE  63          2HG1      ILE  63  -5.733 -19.950   4.317
  439   2HG1  ILE  63          3HG1      ILE  63  -4.731 -18.719   3.557
  440   1HG2  ILE  63          1HG2      ILE  63  -6.034 -15.765   5.203
  441   2HG2  ILE  63          2HG2      ILE  63  -4.772 -16.625   6.088
  442   3HG2  ILE  63          3HG2      ILE  63  -4.672 -16.453   4.319
  443   1HD1  ILE  63          1HD1      ILE  63  -3.449 -18.455   5.666
  444   2HD1  ILE  63          2HD1      ILE  63  -4.450 -19.720   6.414
  445   3HD1  ILE  63          3HD1      ILE  63  -3.395 -20.109   5.043
  446    H    LYS  64           H        LYS  64  -8.262 -18.250   8.404
  447    HA   LYS  64           HA       LYS  64 -10.500 -16.734   7.595
  448   1HB   LYS  64          HB2       LYS  64  -9.323 -17.083  10.384
  449   2HB   LYS  64          HB3       LYS  64 -10.938 -16.467  10.048
  450   1HG   LYS  64          HG2       LYS  64  -9.885 -19.262   9.416
  451   2HG   LYS  64          HG3       LYS  64 -11.018 -18.823  10.682
  452   1HD   LYS  64          HD2       LYS  64 -11.516 -18.733   7.674
  453   2HD   LYS  64          HD3       LYS  64 -12.208 -19.852   8.839
  454   1HE   LYS  64          HE2       LYS  64 -12.764 -16.851   8.672
  455   2HE   LYS  64          HE3       LYS  64 -13.851 -18.166   8.219
  456   1HZ   LYS  64          HZ1       LYS  64 -12.861 -17.635  10.929
  457   2HZ   LYS  64          HZ2       LYS  64 -14.376 -17.320  10.365
  458   3HZ   LYS  64          HZ3       LYS  64 -13.857 -18.878  10.503
  459    H    ASP  65           H        ASP  65  -7.459 -15.578   9.007
  460    HA   ASP  65           HA       ASP  65  -8.304 -12.750   8.523
  461   1HB   ASP  65          HB2       ASP  65  -6.937 -12.156  10.472
  462   2HB   ASP  65          HB3       ASP  65  -8.413 -13.054  10.825
  463    HA   PRO  66           HA       PRO  66  -4.882 -13.841   5.669
  464   1HB   PRO  66          HB2       PRO  66  -5.960 -11.230   4.587
  465   2HB   PRO  66          HB3       PRO  66  -5.332 -12.632   3.674
  466   1HG   PRO  66          HG2       PRO  66  -8.001 -12.320   3.963
  467   2HG   PRO  66          HG3       PRO  66  -7.284 -13.934   4.241
  468   1HD   PRO  66          HD2       PRO  66  -8.087 -11.867   6.298
  469   2HD   PRO  66          HD3       PRO  66  -8.376 -13.630   6.276
  470    H    CYS  67           H        CYS  67  -2.834 -13.353   5.818
  471    HA   CYS  67           HA       CYS  67  -1.769 -11.158   7.390
  472   1HB   CYS  67          HB2       CYS  67  -0.726 -13.372   7.349
  473   2HB   CYS  67          HB3       CYS  67  -0.552 -13.288   5.602
  474    H    ASN  68           H        ASN  68  -2.427  -9.296   6.361
  475    HA   ASN  68           HA       ASN  68  -2.748  -8.505   3.831
  476   1HB   ASN  68          HB2       ASN  68  -3.054  -6.987   5.700
  477   2HB   ASN  68          HB3       ASN  68  -1.311  -6.953   6.014
  478   1HD2  ASN  68          1HD2      ASN  68  -2.805  -4.831   2.801
  479   2HD2  ASN  68          2HD2      ASN  68  -3.761  -6.139   3.470
  480    H    LYS  69           H        LYS  69   0.510  -8.531   5.338
  481    HA   LYS  69           HA       LYS  69   2.042  -7.471   3.338
  482   1HB   LYS  69          HB2       LYS  69   2.879  -8.090   5.526
  483   2HB   LYS  69          HB3       LYS  69   2.743  -9.819   5.151
  484   1HG   LYS  69          HG2       LYS  69   4.435  -9.662   3.427
  485   2HG   LYS  69          HG3       LYS  69   4.473  -7.902   3.521
  486   1HD   LYS  69          HD2       LYS  69   5.300  -9.783   5.790
  487   2HD   LYS  69          HD3       LYS  69   6.401  -9.077   4.597
  488   1HE   LYS  69          HE2       LYS  69   5.560  -6.767   5.325
  489   2HE   LYS  69          HE3       LYS  69   4.785  -7.576   6.700
  490   1HZ   LYS  69          HZ1       LYS  69   7.648  -7.614   6.048
  491   2HZ   LYS  69          HZ2       LYS  69   6.933  -6.750   7.253
  492   3HZ   LYS  69          HZ3       LYS  69   6.958  -8.395   7.323
  493    H    CYS  70           H        CYS  70   0.671 -10.761   3.319
  494    HA   CYS  70           HA       CYS  70   1.755 -11.142   0.533
  495   1HB   CYS  70          HB2       CYS  70   1.825 -13.531   1.027
  496   2HB   CYS  70          HB3       CYS  70   2.902 -12.630   2.094
  497    H    HIS  71           H        HIS  71  -0.897 -10.110   1.897
  498    HA   HIS  71           HA       HIS  71  -3.130 -10.404   1.744
  499   1HB   HIS  71          HB2       HIS  71  -2.305  -9.492  -0.442
  500   2HB   HIS  71          HB3       HIS  71  -2.412 -11.114  -1.117
  501    HD1  HIS  71           HD1      HIS  71  -5.133 -12.130  -0.661
  502    HD2  HIS  71           HD2      HIS  71  -4.361  -8.009  -0.949
  503    HE1  HIS  71           HE1      HIS  71  -7.364 -11.000  -1.287
  504    H    GLY  72           H        GLY  72  -2.110 -12.634   2.987
  505   1HA   GLY  72          HA2       GLY  72  -2.844 -14.676   3.655
  506   2HA   GLY  72          HA3       GLY  72  -4.206 -14.540   2.550
  507    H    HIS  73           H        HIS  73  -1.482 -14.305   0.546
  508    HA   HIS  73           HA       HIS  73  -1.905 -16.961  -0.473
  509   1HB   HIS  73          HB2       HIS  73   0.356 -14.995  -1.009
  510   2HB   HIS  73          HB3       HIS  73   0.031 -16.468  -1.926
  511    HD1  HIS  73           HD1      HIS  73  -1.430 -12.993  -1.340
  512    HD2  HIS  73           HD2      HIS  73  -2.069 -16.461  -3.627
  513    HE1  HIS  73           HE1      HIS  73  -3.196 -12.394  -3.115
  514    H    GLY  74           H        GLY  74   0.468 -15.540   1.675
  515   1HA   GLY  74          HA2       GLY  74   1.508 -16.796   3.444
  516   2HA   GLY  74          HA3       GLY  74   1.436 -18.261   2.466
  517    H    ARG  75           H        ARG  75   2.468 -16.107   0.225
  518    HA   ARG  75           HA       ARG  75   5.329 -16.198   1.012
  519   1HB   ARG  75          HB2       ARG  75   5.872 -17.024  -1.264
  520   2HB   ARG  75          HB3       ARG  75   4.984 -18.210  -0.295
  521   1HG   ARG  75          HG2       ARG  75   2.890 -17.676  -1.472
  522   2HG   ARG  75          HG3       ARG  75   3.696 -16.376  -2.370
  523   1HD   ARG  75          HD2       ARG  75   5.212 -18.084  -3.410
  524   2HD   ARG  75          HD3       ARG  75   4.390 -19.342  -2.489
  525    HE   ARG  75           HE       ARG  75   2.664 -19.347  -3.962
  526   1HH1  ARG  75          1HH1      ARG  75   1.494 -18.746  -5.814
  527   2HH1  ARG  75          2HH1      ARG  75   1.845 -17.257  -6.647
  528   1HH2  ARG  75          1HH2      ARG  75   4.437 -16.331  -4.420
  529   2HH2  ARG  75          2HH2      ARG  75   3.559 -15.860  -5.851
  530    H    VAL  76           H        VAL  76   6.665 -14.833  -0.323
  531    HA   VAL  76           HA       VAL  76   5.259 -12.567  -1.645
  532    HB   VAL  76           HB       VAL  76   6.905 -11.041  -0.605
  533   1HG1  VAL  76          1HG1      VAL  76   5.847 -10.872   1.577
  534   2HG1  VAL  76          2HG1      VAL  76   4.632 -11.315   0.366
  535   3HG1  VAL  76          3HG1      VAL  76   5.272 -12.545   1.478
  536   1HG2  VAL  76          1HG2      VAL  76   8.698 -12.659  -0.030
  537   2HG2  VAL  76          2HG2      VAL  76   8.193 -11.712   1.374
  538   3HG2  VAL  76          3HG2      VAL  76   7.650 -13.389   1.207
  539    H    GLU  77           H        GLU  77   6.672 -11.453  -3.170
  540    HA   GLU  77           HA       GLU  77   8.637 -13.307  -4.422
  541   1HB   GLU  77          HB2       GLU  77   6.662 -12.602  -5.775
  542   2HB   GLU  77          HB3       GLU  77   7.173 -10.912  -5.587
  543   1HG   GLU  77          HG2       GLU  77   9.363 -11.501  -6.694
  544   2HG   GLU  77          HG3       GLU  77   8.758 -13.142  -6.954
  545    H    ARG  78           H        ARG  78  10.724 -12.782  -4.287
  546    HA   ARG  78           HA       ARG  78  11.663 -10.269  -3.142
  547   1HB   ARG  78          HB2       ARG  78  12.651 -12.524  -2.731
  548   2HB   ARG  78          HB3       ARG  78  13.136 -12.606  -4.428
  549   1HG   ARG  78          HG2       ARG  78  14.630 -10.675  -4.122
  550   2HG   ARG  78          HG3       ARG  78  14.087 -10.483  -2.446
  551   1HD   ARG  78          HD2       ARG  78  15.075 -12.539  -1.766
  552   2HD   ARG  78          HD3       ARG  78  15.285 -13.115  -3.416
  553    HE   ARG  78           HE       ARG  78  17.055 -11.395  -1.911
  554   1HH1  ARG  78          1HH1      ARG  78  19.000 -10.637  -2.960
  555   2HH1  ARG  78          2HH1      ARG  78  19.113 -10.786  -4.710
  556   1HH2  ARG  78          1HH2      ARG  78  16.028 -12.281  -5.234
  557   2HH2  ARG  78          2HH2      ARG  78  17.550 -11.731  -5.912
  558    H    SER  79           H        SER  79  10.257  -9.244  -5.057
  559    HA   SER  79           HA       SER  79  11.140  -9.325  -7.723
  560   1HB   SER  79          HB2       SER  79   9.877  -6.979  -6.239
  561   2HB   SER  79          HB3       SER  79   9.795  -7.301  -7.980
  562    HG   SER  79           HG       SER  79   8.609  -9.194  -7.501
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1   9.804 -33.805 -22.902
    2   1HA   GLY   1          HA2       GLY   1   8.130 -31.960 -24.189
    3   2HA   GLY   1          HA3       GLY   1   7.130 -33.229 -23.437
    4    H    VAL   2           H        VAL   2   6.696 -30.902 -22.274
    5    HA   VAL   2           HA       VAL   2   8.585 -30.144 -20.246
    6    HB   VAL   2           HB       VAL   2   6.763 -28.796 -19.325
    7   1HG1  VAL   2          1HG1      VAL   2   6.859 -28.619 -22.367
    8   2HG1  VAL   2          2HG1      VAL   2   6.426 -27.325 -21.235
    9   3HG1  VAL   2          3HG1      VAL   2   8.078 -27.965 -21.252
   10   1HG2  VAL   2          1HG2      VAL   2   4.954 -30.087 -21.419
   11   2HG2  VAL   2          2HG2      VAL   2   4.833 -30.294 -19.659
   12   3HG2  VAL   2          3HG2      VAL   2   4.547 -28.708 -20.384
   13    H    THR   3           H        THR   3   8.407 -30.451 -17.949
   14    HA   THR   3           HA       THR   3   7.787 -33.150 -17.208
   15    HB   THR   3           HB       THR   3   9.515 -31.977 -16.012
   16    HG1  THR   3           HG1      THR   3   8.845 -32.449 -13.946
   17   1HG2  THR   3          1HG2      THR   3   8.761 -29.630 -16.130
   18   2HG2  THR   3          2HG2      THR   3   7.372 -29.999 -15.091
   19   3HG2  THR   3          3HG2      THR   3   9.017 -30.099 -14.449
   20    H    LYS   4           H        LYS   4   6.216 -33.876 -15.697
   21    HA   LYS   4           HA       LYS   4   3.537 -32.815 -16.024
   22   1HB   LYS   4          HB2       LYS   4   4.032 -35.212 -15.623
   23   2HB   LYS   4          HB3       LYS   4   4.719 -34.814 -14.038
   24   1HG   LYS   4          HG2       LYS   4   2.511 -33.972 -13.289
   25   2HG   LYS   4          HG3       LYS   4   1.821 -34.356 -14.881
   26   1HD   LYS   4          HD2       LYS   4   2.400 -36.753 -14.534
   27   2HD   LYS   4          HD3       LYS   4   3.093 -36.366 -12.952
   28   1HE   LYS   4          HE2       LYS   4   0.171 -35.947 -13.757
   29   2HE   LYS   4          HE3       LYS   4   0.792 -37.290 -12.784
   30   1HZ   LYS   4          HZ1       LYS   4  -0.111 -35.603 -11.405
   31   2HZ   LYS   4          HZ2       LYS   4   1.514 -35.692 -11.152
   32   3HZ   LYS   4          HZ3       LYS   4   0.882 -34.453 -12.037
   33    H    GLU   5           H        GLU   5   6.260 -32.311 -13.815
   34    HA   GLU   5           HA       GLU   5   4.630 -31.039 -11.749
   35   1HB   GLU   5          HB2       GLU   5   7.642 -31.012 -11.971
   36   2HB   GLU   5          HB3       GLU   5   6.614 -30.756 -10.550
   37   1HG   GLU   5          HG2       GLU   5   7.015 -33.392 -12.070
   38   2HG   GLU   5          HG3       GLU   5   7.630 -32.984 -10.471
   39    H    ILE   6           H        ILE   6   3.818 -29.693 -13.794
   40    HA   ILE   6           HA       ILE   6   5.409 -27.354 -14.406
   41    HB   ILE   6           HB       ILE   6   3.296 -26.380 -15.257
   42   1HG1  ILE   6          2HG1      ILE   6   1.970 -28.992 -14.362
   43   2HG1  ILE   6          3HG1      ILE   6   1.732 -27.410 -13.603
   44   1HG2  ILE   6          1HG2      ILE   6   4.817 -27.900 -16.529
   45   2HG2  ILE   6          2HG2      ILE   6   3.704 -29.240 -16.167
   46   3HG2  ILE   6          3HG2      ILE   6   3.157 -27.858 -17.145
   47   1HD1  ILE   6          1HD1      ILE   6  -0.107 -27.844 -15.094
   48   2HD1  ILE   6          2HD1      ILE   6   0.867 -26.523 -15.769
   49   3HD1  ILE   6          3HD1      ILE   6   0.982 -28.164 -16.452
   50    H    ARG   7           H        ARG   7   3.775 -28.291 -11.657
   51    HA   ARG   7           HA       ARG   7   3.113 -25.694 -10.534
   52   1HB   ARG   7          HB2       ARG   7   3.405 -28.460  -9.289
   53   2HB   ARG   7          HB3       ARG   7   2.611 -27.070  -8.533
   54   1HG   ARG   7          HG2       ARG   7   0.865 -27.047 -10.209
   55   2HG   ARG   7          HG3       ARG   7   1.692 -28.243 -11.200
   56   1HD   ARG   7          HD2       ARG   7   0.501 -28.748  -8.461
   57   2HD   ARG   7          HD3       ARG   7  -0.179 -29.278  -9.999
   58    HE   ARG   7           HE       ARG   7   1.822 -30.580  -8.450
   59   1HH1  ARG   7          1HH1      ARG   7   3.011 -32.337  -9.204
   60   2HH1  ARG   7          2HH1      ARG   7   3.095 -32.714 -10.896
   61   1HH2  ARG   7          1HH2      ARG   7   0.984 -30.024 -11.850
   62   2HH2  ARG   7          2HH2      ARG   7   2.071 -31.250 -12.459
   63    H    ILE   8           H        ILE   8   5.623 -25.410 -11.465
   64    HA   ILE   8           HA       ILE   8   7.738 -26.210  -9.848
   65    HB   ILE   8           HB       ILE   8   8.976 -24.244 -10.770
   66   1HG1  ILE   8          2HG1      ILE   8   6.362 -23.655 -12.243
   67   2HG1  ILE   8          3HG1      ILE   8   7.008 -22.692 -10.914
   68   1HG2  ILE   8          1HG2      ILE   8   7.398 -25.870 -12.818
   69   2HG2  ILE   8          2HG2      ILE   8   9.008 -25.152 -13.033
   70   3HG2  ILE   8          3HG2      ILE   8   8.784 -26.477 -11.893
   71   1HD1  ILE   8          1HD1      ILE   8   9.085 -22.286 -12.274
   72   2HD1  ILE   8          2HD1      ILE   8   8.284 -23.091 -13.645
   73   3HD1  ILE   8          3HD1      ILE   8   7.598 -21.609 -12.964
   74    HA   PRO   9           HA       PRO   9   6.945 -23.986  -6.112
   75   1HB   PRO   9          HB2       PRO   9   9.221 -24.391  -4.693
   76   2HB   PRO   9          HB3       PRO   9   8.175 -25.736  -5.210
   77   1HG   PRO   9          HG2       PRO   9  10.632 -24.695  -6.657
   78   2HG   PRO   9          HG3       PRO   9  10.319 -26.377  -6.125
   79   1HD   PRO   9          HD2       PRO   9   9.737 -25.568  -8.656
   80   2HD   PRO   9          HD3       PRO   9   8.641 -26.676  -7.772
   81    H    THR  10           H        THR  10   7.274 -22.102  -8.104
   82    HA   THR  10           HA       THR  10   9.424 -20.231  -7.388
   83    HB   THR  10           HB       THR  10   6.996 -19.826  -9.173
   84    HG1  THR  10           HG1      THR  10   9.526 -20.984  -9.721
   85   1HG2  THR  10          1HG2      THR  10   9.788 -18.570  -9.202
   86   2HG2  THR  10          2HG2      THR  10   8.520 -18.320 -10.418
   87   3HG2  THR  10          3HG2      THR  10   8.272 -17.746  -8.768
   88    H    LEU  11           H        LEU  11   8.273 -20.739  -5.045
   89    HA   LEU  11           HA       LEU  11   6.565 -18.395  -4.380
   90   1HB   LEU  11          HB2       LEU  11   6.134 -21.262  -3.464
   91   2HB   LEU  11          HB3       LEU  11   5.216 -19.857  -2.923
   92    HG   LEU  11           HG       LEU  11   5.214 -20.966  -5.777
   93   1HD1  LEU  11          1HD1      LEU  11   3.116 -21.171  -3.592
   94   2HD1  LEU  11          2HD1      LEU  11   2.992 -21.795  -5.247
   95   3HD1  LEU  11          3HD1      LEU  11   4.177 -22.495  -4.128
   96   1HD2  LEU  11          1HD2      LEU  11   3.080 -19.553  -5.916
   97   2HD2  LEU  11          2HD2      LEU  11   3.616 -18.732  -4.434
   98   3HD2  LEU  11          3HD2      LEU  11   4.583 -18.657  -5.925
   99    H    GLU  12           H        GLU  12   7.165 -17.463  -2.492
  100    HA   GLU  12           HA       GLU  12   9.385 -18.636  -0.893
  101   1HB   GLU  12          HB2       GLU  12   8.494 -15.734  -0.963
  102   2HB   GLU  12          HB3       GLU  12  10.007 -16.410  -0.355
  103   1HG   GLU  12          HG2       GLU  12  10.542 -17.081  -2.750
  104   2HG   GLU  12          HG3       GLU  12   9.097 -16.186  -3.261
  105    H    GLU  13           H        GLU  13   8.857 -19.192   1.169
  106    HA   GLU  13           HA       GLU  13   6.209 -19.197   2.150
  107   1HB   GLU  13          HB2       GLU  13   8.085 -20.723   2.853
  108   2HB   GLU  13          HB3       GLU  13   8.819 -19.362   3.725
  109   1HG   GLU  13          HG2       GLU  13   6.717 -19.181   5.103
  110   2HG   GLU  13          HG3       GLU  13   6.087 -20.603   4.239
  111    H    CYS  14           H        CYS  14   5.001 -17.623   3.222
  112    HA   CYS  14           HA       CYS  14   6.242 -15.000   3.615
  113   1HB   CYS  14          HB2       CYS  14   3.922 -15.294   2.758
  114   2HB   CYS  14          HB3       CYS  14   3.482 -15.919   4.352
  115    H    ASP  15           H        ASP  15   7.806 -15.444   5.180
  116    HA   ASP  15           HA       ASP  15   7.631 -16.772   7.606
  117   1HB   ASP  15          HB2       ASP  15   9.508 -15.478   8.331
  118   2HB   ASP  15          HB3       ASP  15   9.699 -15.762   6.597
  119    H    VAL  16           H        VAL  16   6.479 -13.542   6.807
  120    HA   VAL  16           HA       VAL  16   5.928 -12.435   9.289
  121    HB   VAL  16           HB       VAL  16   4.217 -12.226   6.778
  122   1HG1  VAL  16          1HG1      VAL  16   3.636  -9.990   7.658
  123   2HG1  VAL  16          2HG1      VAL  16   3.058 -11.298   8.689
  124   3HG1  VAL  16          3HG1      VAL  16   4.504 -10.371   9.162
  125   1HG2  VAL  16          1HG2      VAL  16   6.682 -10.668   7.675
  126   2HG2  VAL  16          2HG2      VAL  16   6.507 -11.625   6.187
  127   3HG2  VAL  16          3HG2      VAL  16   5.587 -10.136   6.388
  128    H    CYS  17           H        CYS  17   3.859 -14.724   7.422
  129    HA   CYS  17           HA       CYS  17   2.158 -15.123   9.877
  130   1HB   CYS  17          HB2       CYS  17   0.568 -16.179   8.333
  131   2HB   CYS  17          HB3       CYS  17   0.810 -14.454   8.076
  132    H    HIS  18           H        HIS  18   4.902 -16.176   9.201
  133    HA   HIS  18           HA       HIS  18   6.094 -18.057   9.438
  134   1HB   HIS  18          HB2       HIS  18   3.766 -19.127  11.034
  135   2HB   HIS  18          HB3       HIS  18   5.496 -19.309  11.349
  136    HD1  HIS  18           HD1      HIS  18   6.048 -16.018  11.117
  137    HD2  HIS  18           HD2      HIS  18   2.916 -17.936  13.171
  138    HE1  HIS  18           HE1      HIS  18   5.147 -14.344  12.808
  139    H    GLY  19           H        GLY  19   4.606 -17.935   7.038
  140   1HA   GLY  19          HA2       GLY  19   4.273 -19.289   5.233
  141   2HA   GLY  19          HA3       GLY  19   4.786 -20.680   6.200
  142    H    SER  20           H        SER  20   2.162 -19.273   7.872
  143    HA   SER  20           HA       SER  20   0.450 -21.469   6.883
  144   1HB   SER  20          HB2       SER  20  -1.058 -20.860   8.625
  145   2HB   SER  20          HB3       SER  20   0.548 -21.109   9.293
  146    HG   SER  20           HG       SER  20   0.774 -18.838   9.455
  147    H    GLY  21           H        GLY  21  -0.189 -18.110   7.610
  148   1HA   GLY  21          HA2       GLY  21  -0.966 -16.794   5.371
  149   2HA   GLY  21          HA3       GLY  21  -2.324 -17.903   5.592
  150    H    ALA  22           H        ALA  22  -1.849 -17.856   8.629
  151    HA   ALA  22           HA       ALA  22  -3.709 -15.700   9.187
  152   1HB   ALA  22          HB1       ALA  22  -3.864 -17.881  10.298
  153   2HB   ALA  22          HB2       ALA  22  -2.237 -17.669  10.976
  154   3HB   ALA  22          HB3       ALA  22  -3.565 -16.602  11.486
  155    H    LYS  23           H        LYS  23  -3.318 -13.707   9.949
  156    HA   LYS  23           HA       LYS  23  -0.859 -12.516   9.758
  157   1HB   LYS  23          HB2       LYS  23  -1.796 -10.679  11.232
  158   2HB   LYS  23          HB3       LYS  23  -2.777 -11.182   9.838
  159   1HG   LYS  23          HG2       LYS  23  -4.285 -12.420  11.229
  160   2HG   LYS  23          HG3       LYS  23  -3.238 -12.270  12.631
  161   1HD   LYS  23          HD2       LYS  23  -5.119 -10.833  12.884
  162   2HD   LYS  23          HD3       LYS  23  -3.667  -9.843  12.750
  163   1HE   LYS  23          HE2       LYS  23  -5.432 -10.428  10.319
  164   2HE   LYS  23          HE3       LYS  23  -5.829  -9.135  11.461
  165   1HZ   LYS  23          HZ1       LYS  23  -4.582  -8.310   9.641
  166   2HZ   LYS  23          HZ2       LYS  23  -3.729  -8.137  11.040
  167   3HZ   LYS  23          HZ3       LYS  23  -3.319  -9.312   9.964
  168    HA   PRO  24           HA       PRO  24   2.276 -13.577  12.509
  169   1HB   PRO  24          HB2       PRO  24   1.766 -10.845  13.716
  170   2HB   PRO  24          HB3       PRO  24   3.342 -11.671  13.514
  171   1HG   PRO  24          HG2       PRO  24   2.357  -9.912  11.639
  172   2HG   PRO  24          HG3       PRO  24   3.301 -11.346  11.178
  173   1HD   PRO  24          HD2       PRO  24   0.454 -10.822  10.743
  174   2HD   PRO  24          HD3       PRO  24   1.451 -12.138  10.062
  175    H    GLY  25           H        GLY  25   2.361 -14.968  14.187
  176   1HA   GLY  25          HA2       GLY  25   2.079 -15.835  16.278
  177   2HA   GLY  25          HA3       GLY  25   1.259 -14.358  16.797
  178    H    THR  26           H        THR  26  -0.918 -14.252  15.124
  179    HA   THR  26           HA       THR  26  -2.800 -15.870  16.361
  180    HB   THR  26           HB       THR  26  -3.295 -14.834  13.570
  181    HG1  THR  26           HG1      THR  26  -2.024 -13.238  14.238
  182   1HG2  THR  26          1HG2      THR  26  -5.189 -15.645  14.941
  183   2HG2  THR  26          2HG2      THR  26  -4.772 -14.471  16.216
  184   3HG2  THR  26          3HG2      THR  26  -5.315 -13.901  14.625
  185    H    GLN  27           H        GLN  27  -3.493 -17.975  15.994
  186    HA   GLN  27           HA       GLN  27  -2.137 -19.492  13.926
  187   1HB   GLN  27          HB2       GLN  27  -3.303 -21.427  14.885
  188   2HB   GLN  27          HB3       GLN  27  -2.353 -20.531  16.069
  189   1HG   GLN  27          HG2       GLN  27  -4.228 -19.743  17.211
  190   2HG   GLN  27          HG3       GLN  27  -5.308 -19.877  15.822
  191   1HE2  GLN  27          1HE2      GLN  27  -5.991 -23.357  16.231
  192   2HE2  GLN  27          2HE2      GLN  27  -5.838 -22.105  15.003
  193    HA   PRO  28           HA       PRO  28  -5.578 -19.515  10.978
  194   1HB   PRO  28          HB2       PRO  28  -4.930 -22.376  10.475
  195   2HB   PRO  28          HB3       PRO  28  -5.006 -21.013   9.310
  196   1HG   PRO  28          HG2       PRO  28  -2.614 -22.070  10.044
  197   2HG   PRO  28          HG3       PRO  28  -2.825 -20.286   9.937
  198   1HD   PRO  28          HD2       PRO  28  -3.065 -22.019  12.413
  199   2HD   PRO  28          HD3       PRO  28  -2.014 -20.590  12.132
  200    H    GLN  29           H        GLN  29  -7.496 -21.206  10.467
  201    HA   GLN  29           HA       GLN  29  -8.398 -22.479  13.036
  202   1HB   GLN  29          HB2       GLN  29 -10.108 -21.012  10.991
  203   2HB   GLN  29          HB3       GLN  29 -10.606 -21.726  12.531
  204   1HG   GLN  29          HG2       GLN  29 -10.400 -19.496  13.121
  205   2HG   GLN  29          HG3       GLN  29  -8.825 -20.113  13.613
  206   1HE2  GLN  29          1HE2      GLN  29  -7.281 -17.563  11.615
  207   2HE2  GLN  29          2HE2      GLN  29  -7.134 -18.588  13.019
  208    H    THR  30           H        THR  30  -8.977 -24.648  12.829
  209    HA   THR  30           HA       THR  30  -8.241 -26.172  10.693
  210    HB   THR  30           HB       THR  30 -10.627 -26.774  12.495
  211    HG1  THR  30           HG1      THR  30  -7.870 -26.888  13.180
  212   1HG2  THR  30          1HG2      THR  30  -9.656 -29.040  12.535
  213   2HG2  THR  30          2HG2      THR  30  -9.997 -28.540  10.868
  214   3HG2  THR  30          3HG2      THR  30  -8.326 -28.506  11.486
  215    H    CYS  31           H        CYS  31  -9.061 -26.526   8.586
  216    HA   CYS  31           HA       CYS  31 -11.554 -25.275   7.827
  217   1HB   CYS  31          HB2       CYS  31  -9.624 -25.608   6.257
  218   2HB   CYS  31          HB3       CYS  31  -9.910 -27.347   6.340
  219    HA   PRO  32           HA       PRO  32 -13.737 -28.924   9.411
  220   1HB   PRO  32          HB2       PRO  32 -16.328 -28.179   9.035
  221   2HB   PRO  32          HB3       PRO  32 -15.274 -27.474  10.301
  222   1HG   PRO  32          HG2       PRO  32 -15.886 -26.303   7.572
  223   2HG   PRO  32          HG3       PRO  32 -15.972 -25.492   9.159
  224   1HD   PRO  32          HD2       PRO  32 -13.788 -25.290   7.542
  225   2HD   PRO  32          HD3       PRO  32 -13.629 -25.346   9.323
  226    H    THR  33           H        THR  33 -14.498 -27.413   6.237
  227    HA   THR  33           HA       THR  33 -15.896 -29.298   4.928
  228    HB   THR  33           HB       THR  33 -13.572 -27.864   3.620
  229    HG1  THR  33           HG1      THR  33 -15.951 -26.616   4.517
  230   1HG2  THR  33          1HG2      THR  33 -16.507 -28.176   2.833
  231   2HG2  THR  33          2HG2      THR  33 -15.241 -27.364   1.887
  232   3HG2  THR  33          3HG2      THR  33 -15.152 -29.112   2.170
  233    H    CYS  34           H        CYS  34 -12.380 -29.397   5.519
  234    HA   CYS  34           HA       CYS  34 -12.319 -32.212   4.490
  235   1HB   CYS  34          HB2       CYS  34  -9.974 -31.785   3.823
  236   2HB   CYS  34          HB3       CYS  34 -11.170 -30.981   2.830
  237    H    HIS  35           H        HIS  35 -12.871 -31.160   7.167
  238    HA   HIS  35           HA       HIS  35 -12.188 -31.361   9.339
  239   1HB   HIS  35          HB2       HIS  35 -11.314 -34.059   8.250
  240   2HB   HIS  35          HB3       HIS  35 -11.741 -33.692   9.923
  241    HD1  HIS  35           HD1      HIS  35 -14.412 -31.962   8.251
  242    HD2  HIS  35           HD2      HIS  35 -13.314 -36.000   8.763
  243    HE1  HIS  35           HE1      HIS  35 -16.516 -33.341   7.906
  244    H    GLY  36           H        GLY  36 -10.259 -29.816   8.242
  245   1HA   GLY  36          HA2       GLY  36  -8.236 -28.978   8.913
  246   2HA   GLY  36          HA3       GLY  36  -8.050 -30.339  10.010
  247    H    SER  37           H        SER  37  -8.427 -31.851   7.044
  248    HA   SER  37           HA       SER  37  -5.517 -32.298   6.955
  249   1HB   SER  37          HB2       SER  37  -6.046 -34.050   5.336
  250   2HB   SER  37          HB3       SER  37  -6.923 -34.228   6.866
  251    HG   SER  37           HG       SER  37  -8.769 -33.382   5.859
  252    H    GLY  38           H        GLY  38  -7.854 -31.693   4.319
  253   1HA   GLY  38          HA2       GLY  38  -7.023 -29.391   3.158
  254   2HA   GLY  38          HA3       GLY  38  -5.674 -30.437   2.729
  255    H    GLN  39           H        GLN  39  -8.263 -32.566   2.548
  256    HA   GLN  39           HA       GLN  39  -8.939 -31.704  -0.210
  257   1HB   GLN  39          HB2       GLN  39  -8.374 -33.744  -1.197
  258   2HB   GLN  39          HB3       GLN  39  -6.970 -33.203  -0.285
  259   1HG   GLN  39          HG2       GLN  39  -8.891 -35.464   0.419
  260   2HG   GLN  39          HG3       GLN  39  -7.206 -35.573  -0.090
  261   1HE2  GLN  39          1HE2      GLN  39  -8.112 -34.714   3.827
  262   2HE2  GLN  39          2HE2      GLN  39  -9.357 -34.677   2.587
  263    H    VAL  40           H        VAL  40 -10.828 -32.311  -1.039
  264    HA   VAL  40           HA       VAL  40 -12.903 -33.261   0.880
  265    HB   VAL  40           HB       VAL  40 -14.434 -32.353  -0.933
  266   1HG1  VAL  40          1HG1      VAL  40 -14.186 -30.023  -0.204
  267   2HG1  VAL  40          2HG1      VAL  40 -14.015 -31.152   1.155
  268   3HG1  VAL  40          3HG1      VAL  40 -12.573 -30.383   0.453
  269   1HG2  VAL  40          1HG2      VAL  40 -13.613 -30.834  -2.584
  270   2HG2  VAL  40          2HG2      VAL  40 -11.964 -30.851  -1.918
  271   3HG2  VAL  40          3HG2      VAL  40 -12.612 -32.274  -2.734
  272    H    GLN  41           H        GLN  41 -13.821 -35.237   0.551
  273    HA   GLN  41           HA       GLN  41 -13.033 -36.752  -1.881
  274   1HB   GLN  41          HB2       GLN  41 -12.283 -37.583   0.213
  275   2HB   GLN  41          HB3       GLN  41 -13.955 -37.729   0.799
  276   1HG   GLN  41          HG2       GLN  41 -14.455 -39.380  -0.986
  277   2HG   GLN  41          HG3       GLN  41 -12.844 -39.183  -1.677
  278   1HE2  GLN  41          1HE2      GLN  41 -11.164 -41.031   0.904
  279   2HE2  GLN  41          2HE2      GLN  41 -10.942 -39.685  -0.201
  280    H    MET  42           H        MET  42 -14.455 -36.514  -3.424
  281    HA   MET  42           HA       MET  42 -17.306 -36.088  -2.932
  282   1HB   MET  42          HB2       MET  42 -15.941 -34.984  -4.751
  283   2HB   MET  42          HB3       MET  42 -15.792 -36.547  -5.545
  284   1HG   MET  42          HG2       MET  42 -17.535 -35.118  -6.508
  285   2HG   MET  42          HG3       MET  42 -18.231 -36.608  -5.853
  286   1HE   MET  42          HE1       MET  42 -17.760 -32.751  -5.373
  287   2HE   MET  42          HE2       MET  42 -18.751 -32.436  -3.930
  288   3HE   MET  42          HE3       MET  42 -17.228 -33.332  -3.773
  289    H    ARG  43           H        ARG  43 -17.326 -38.037  -1.650
  290    HA   ARG  43           HA       ARG  43 -16.882 -40.660  -2.523
  291   1HB   ARG  43          HB2       ARG  43 -17.158 -39.708  -0.149
  292   2HB   ARG  43          HB3       ARG  43 -18.895 -39.788  -0.424
  293   1HG   ARG  43          HG2       ARG  43 -18.540 -41.818   0.620
  294   2HG   ARG  43          HG3       ARG  43 -18.354 -42.338  -1.060
  295   1HD   ARG  43          HD2       ARG  43 -15.840 -41.947  -0.771
  296   2HD   ARG  43          HD3       ARG  43 -16.171 -41.639   0.945
  297    HE   ARG  43           HE       ARG  43 -17.283 -44.146   0.002
  298   1HH1  ARG  43          1HH1      ARG  43 -14.253 -42.626   1.072
  299   2HH1  ARG  43          2HH1      ARG  43 -13.581 -44.112   1.685
  300   1HH2  ARG  43          1HH2      ARG  43 -16.384 -46.082   0.771
  301   2HH2  ARG  43          2HH2      ARG  43 -14.793 -46.114   1.484
  302    H    GLN  44           H        GLN  44 -17.951 -40.238  -4.748
  303    HA   GLN  44           HA       GLN  44 -20.859 -40.623  -4.841
  304   1HB   GLN  44          HB2       GLN  44 -20.606 -40.555  -7.242
  305   2HB   GLN  44          HB3       GLN  44 -19.801 -39.207  -6.440
  306   1HG   GLN  44          HG2       GLN  44 -17.685 -40.920  -6.661
  307   2HG   GLN  44          HG3       GLN  44 -18.653 -41.444  -8.045
  308   1HE2  GLN  44          1HE2      GLN  44 -16.891 -37.712  -7.988
  309   2HE2  GLN  44          2HE2      GLN  44 -17.087 -38.610  -6.485
  310    H    GLY  45           H        GLY  45 -20.581 -42.441  -3.342
  311   1HA   GLY  45          HA2       GLY  45 -20.926 -44.694  -2.966
  312   2HA   GLY  45          HA3       GLY  45 -20.932 -44.967  -4.719
  313    H    PHE  46           H        PHE  46 -19.486 -46.632  -4.942
  314    HA   PHE  46           HA       PHE  46 -17.239 -47.211  -3.403
  315   1HB   PHE  46          HB2       PHE  46 -17.457 -47.772  -6.378
  316   2HB   PHE  46          HB3       PHE  46 -16.629 -48.725  -5.157
  317    HD1  PHE  46           HD1      PHE  46 -18.199 -49.644  -3.183
  318    HD2  PHE  46           HD2      PHE  46 -19.606 -48.451  -7.088
  319    HE1  PHE  46           HE1      PHE  46 -20.282 -50.942  -2.836
  320    HE2  PHE  46           HE2      PHE  46 -21.686 -49.745  -6.727
  321    HZ   PHE  46           HZ       PHE  46 -22.031 -50.991  -4.603
  322    H    PHE  47           H        PHE  47 -17.542 -45.033  -6.178
  323    HA   PHE  47           HA       PHE  47 -14.709 -44.734  -6.632
  324   1HB   PHE  47          HB2       PHE  47 -17.007 -42.986  -7.530
  325   2HB   PHE  47          HB3       PHE  47 -15.404 -43.071  -8.250
  326    HD1  PHE  47           HD1      PHE  47 -18.769 -44.317  -8.381
  327    HD2  PHE  47           HD2      PHE  47 -14.678 -45.484  -9.124
  328    HE1  PHE  47           HE1      PHE  47 -19.556 -46.250  -9.707
  329    HE2  PHE  47           HE2      PHE  47 -15.479 -47.416 -10.452
  330    HZ   PHE  47           HZ       PHE  47 -17.917 -47.811 -10.738
  331    H    ALA  48           H        ALA  48 -14.296 -44.380  -4.282
  332    HA   ALA  48           HA       ALA  48 -14.983 -41.878  -3.019
  333   1HB   ALA  48          HB1       ALA  48 -12.795 -43.909  -2.402
  334   2HB   ALA  48          HB2       ALA  48 -13.381 -42.645  -1.305
  335   3HB   ALA  48          HB3       ALA  48 -14.465 -43.961  -1.802
  336    H    VAL  49           H        VAL  49 -14.233 -40.806  -5.298
  337    HA   VAL  49           HA       VAL  49 -11.380 -40.221  -5.379
  338    HB   VAL  49           HB       VAL  49 -12.027 -38.830  -7.299
  339   1HG1  VAL  49          1HG1      VAL  49 -13.078 -41.676  -7.290
  340   2HG1  VAL  49          2HG1      VAL  49 -12.535 -40.765  -8.725
  341   3HG1  VAL  49          3HG1      VAL  49 -11.379 -41.179  -7.433
  342   1HG2  VAL  49          1HG2      VAL  49 -14.349 -38.207  -6.636
  343   2HG2  VAL  49          2HG2      VAL  49 -14.238 -38.881  -8.268
  344   3HG2  VAL  49          3HG2      VAL  49 -14.865 -39.877  -6.952
  345    H    GLN  50           H        GLN  50 -10.554 -38.010  -5.364
  346    HA   GLN  50           HA       GLN  50 -12.146 -36.161  -3.770
  347   1HB   GLN  50          HB2       GLN  50 -10.584 -36.202  -1.878
  348   2HB   GLN  50          HB3       GLN  50 -11.012 -37.871  -2.288
  349   1HG   GLN  50          HG2       GLN  50  -8.826 -37.750  -3.780
  350   2HG   GLN  50          HG3       GLN  50  -8.465 -36.354  -2.743
  351   1HE2  GLN  50          1HE2      GLN  50  -8.709 -40.157  -1.043
  352   2HE2  GLN  50          2HE2      GLN  50  -9.701 -39.793  -2.445
  353    H    GLN  51           H        GLN  51 -10.960 -34.130  -3.325
  354    HA   GLN  51           HA       GLN  51  -9.116 -33.337  -5.503
  355   1HB   GLN  51          HB2       GLN  51 -11.659 -31.751  -4.914
  356   2HB   GLN  51          HB3       GLN  51 -10.505 -31.562  -6.221
  357   1HG   GLN  51          HG2       GLN  51 -12.071 -32.570  -7.443
  358   2HG   GLN  51          HG3       GLN  51 -11.402 -34.068  -6.839
  359   1HE2  GLN  51          1HE2      GLN  51 -14.365 -33.967  -4.346
  360   2HE2  GLN  51          2HE2      GLN  51 -12.660 -33.828  -4.049
  361    H    THR  52           H        THR  52  -8.006 -31.324  -4.943
  362    HA   THR  52           HA       THR  52  -7.455 -30.936  -2.220
  363    HB   THR  52           HB       THR  52  -7.178 -28.926  -4.507
  364    HG1  THR  52           HG1      THR  52  -5.201 -30.068  -4.894
  365   1HG2  THR  52          1HG2      THR  52  -5.501 -29.527  -2.035
  366   2HG2  THR  52          2HG2      THR  52  -5.101 -28.316  -3.279
  367   3HG2  THR  52          3HG2      THR  52  -6.551 -28.109  -2.276
  368    H    CYS  53           H        CYS  53  -8.389 -29.513  -0.651
  369    HA   CYS  53           HA       CYS  53 -11.015 -28.469  -1.212
  370   1HB   CYS  53          HB2       CYS  53 -10.341 -29.292   0.999
  371   2HB   CYS  53          HB3       CYS  53  -9.159 -27.984   1.123
  372    HA   PRO  54           HA       PRO  54  -9.071 -24.769  -3.005
  373   1HB   PRO  54          HB2       PRO  54 -11.292 -23.374  -3.785
  374   2HB   PRO  54          HB3       PRO  54 -10.693 -24.826  -4.633
  375   1HG   PRO  54          HG2       PRO  54 -12.907 -24.687  -2.570
  376   2HG   PRO  54          HG3       PRO  54 -12.934 -25.501  -4.157
  377   1HD   PRO  54          HD2       PRO  54 -12.401 -26.855  -1.866
  378   2HD   PRO  54          HD3       PRO  54 -11.561 -27.256  -3.391
  379    H    HIS  55           H        HIS  55 -11.767 -24.513  -0.669
  380    HA   HIS  55           HA       HIS  55 -11.585 -21.861  -0.020
  381   1HB   HIS  55          HB2       HIS  55 -13.286 -23.599   0.722
  382   2HB   HIS  55          HB3       HIS  55 -12.183 -24.000   2.047
  383    HD1  HIS  55           HD1      HIS  55 -11.538 -20.594   2.162
  384    HD2  HIS  55           HD2      HIS  55 -15.065 -22.835   2.691
  385    HE1  HIS  55           HE1      HIS  55 -13.163 -19.117   3.484
  386    H    CYS  56           H        CYS  56  -9.477 -24.433   1.198
  387    HA   CYS  56           HA       CYS  56  -7.834 -22.396   2.679
  388   1HB   CYS  56          HB2       CYS  56  -6.978 -24.313   3.965
  389   2HB   CYS  56          HB3       CYS  56  -8.684 -23.979   4.250
  390    H    GLN  57           H        GLN  57  -7.895 -23.418  -0.282
  391    HA   GLN  57           HA       GLN  57  -6.454 -24.062  -1.895
  392   1HB   GLN  57          HB2       GLN  57  -4.421 -22.517  -0.232
  393   2HB   GLN  57          HB3       GLN  57  -4.379 -22.838  -1.960
  394   1HG   GLN  57          HG2       GLN  57  -5.064 -20.595  -1.733
  395   2HG   GLN  57          HG3       GLN  57  -6.505 -21.493  -2.217
  396   1HE2  GLN  57          1HE2      GLN  57  -8.341 -20.521   0.673
  397   2HE2  GLN  57          2HE2      GLN  57  -8.333 -21.310  -0.889
  398    H    GLY  58           H        GLY  58  -6.850 -26.138  -0.168
  399   1HA   GLY  58          HA2       GLY  58  -6.030 -28.232   0.184
  400   2HA   GLY  58          HA3       GLY  58  -4.549 -27.784  -0.668
  401    H    ARG  59           H        ARG  59  -4.842 -25.585   1.902
  402    HA   ARG  59           HA       ARG  59  -2.723 -27.035   3.331
  403   1HB   ARG  59          HB2       ARG  59  -3.856 -24.275   3.891
  404   2HB   ARG  59          HB3       ARG  59  -2.317 -24.963   4.436
  405   1HG   ARG  59          HG2       ARG  59  -1.720 -25.247   1.947
  406   2HG   ARG  59          HG3       ARG  59  -3.102 -24.228   1.580
  407   1HD   ARG  59          HD2       ARG  59  -0.560 -23.549   3.054
  408   2HD   ARG  59          HD3       ARG  59  -1.226 -22.778   1.613
  409    HE   ARG  59           HE       ARG  59  -1.513 -21.900   4.220
  410   1HH1  ARG  59          1HH1      ARG  59  -2.258 -19.908   4.253
  411   2HH1  ARG  59          2HH1      ARG  59  -3.643 -19.358   3.341
  412   1HH2  ARG  59          1HH2      ARG  59  -4.194 -22.648   2.006
  413   2HH2  ARG  59          2HH2      ARG  59  -4.682 -20.980   1.877
  414    H    GLY  60           H        GLY  60  -5.942 -27.426   3.582
  415   1HA   GLY  60          HA2       GLY  60  -7.329 -28.280   5.221
  416   2HA   GLY  60          HA3       GLY  60  -5.874 -28.597   6.155
  417    H    THR  61           H        THR  61  -5.686 -25.320   5.743
  418    HA   THR  61           HA       THR  61  -7.091 -24.727   8.298
  419    HB   THR  61           HB       THR  61  -5.115 -23.049   8.330
  420    HG1  THR  61           HG1      THR  61  -3.946 -25.144   6.795
  421   1HG2  THR  61          1HG2      THR  61  -5.430 -24.878   9.976
  422   2HG2  THR  61          2HG2      THR  61  -4.701 -26.035   8.841
  423   3HG2  THR  61          3HG2      THR  61  -3.719 -24.727   9.531
  424    H    LEU  62           H        LEU  62  -8.510 -23.205   8.234
  425    HA   LEU  62           HA       LEU  62  -8.836 -21.384   5.924
  426   1HB   LEU  62          HB2       LEU  62 -10.424 -21.847   8.499
  427   2HB   LEU  62          HB3       LEU  62 -10.789 -20.557   7.353
  428    HG   LEU  62           HG       LEU  62 -10.858 -23.521   6.690
  429   1HD1  LEU  62          1HD1      LEU  62 -13.333 -23.121   6.634
  430   2HD1  LEU  62          2HD1      LEU  62 -12.656 -22.818   8.247
  431   3HD1  LEU  62          3HD1      LEU  62 -13.060 -21.455   7.182
  432   1HD2  LEU  62          1HD2      LEU  62 -11.561 -21.037   5.089
  433   2HD2  LEU  62          2HD2      LEU  62 -10.362 -22.283   4.664
  434   3HD2  LEU  62          3HD2      LEU  62 -12.078 -22.688   4.653
  435    H    ILE  63           H        ILE  63  -8.796 -19.142   6.216
  436    HA   ILE  63           HA       ILE  63  -7.371 -18.150   8.632
  437    HB   ILE  63           HB       ILE  63  -6.639 -17.305   5.800
  438   1HG1  ILE  63          2HG1      ILE  63  -4.419 -18.563   6.541
  439   2HG1  ILE  63          3HG1      ILE  63  -5.517 -19.580   7.462
  440   1HG2  ILE  63          1HG2      ILE  63  -6.273 -15.796   7.768
  441   2HG2  ILE  63          2HG2      ILE  63  -5.303 -17.075   8.518
  442   3HG2  ILE  63          3HG2      ILE  63  -4.779 -16.324   6.988
  443   1HD1  ILE  63          1HD1      ILE  63  -6.748 -20.033   5.260
  444   2HD1  ILE  63          2HD1      ILE  63  -5.543 -19.017   4.457
  445   3HD1  ILE  63          3HD1      ILE  63  -5.054 -20.531   5.260
  446    H    LYS  64           H        LYS  64  -9.429 -17.437   9.348
  447    HA   LYS  64           HA       LYS  64 -11.066 -15.652   7.802
  448   1HB   LYS  64          HB2       LYS  64 -10.807 -16.079  10.807
  449   2HB   LYS  64          HB3       LYS  64 -12.058 -15.102  10.020
  450   1HG   LYS  64          HG2       LYS  64 -12.925 -17.053   8.823
  451   2HG   LYS  64          HG3       LYS  64 -11.604 -18.060   9.412
  452   1HD   LYS  64          HD2       LYS  64 -13.630 -18.517  10.685
  453   2HD   LYS  64          HD3       LYS  64 -12.345 -17.875  11.712
  454   1HE   LYS  64          HE2       LYS  64 -14.568 -16.929  12.270
  455   2HE   LYS  64          HE3       LYS  64 -13.427 -15.673  11.786
  456   1HZ   LYS  64          HZ1       LYS  64 -14.433 -15.679   9.619
  457   2HZ   LYS  64          HZ2       LYS  64 -15.481 -16.874  10.058
  458   3HZ   LYS  64          HZ3       LYS  64 -15.571 -15.393  10.775
  459    H    ASP  65           H        ASP  65  -8.127 -15.322   9.615
  460    HA   ASP  65           HA       ASP  65  -8.090 -12.345   9.601
  461   1HB   ASP  65          HB2       ASP  65  -6.507 -12.628  11.421
  462   2HB   ASP  65          HB3       ASP  65  -8.002 -13.478  11.782
  463    HA   PRO  66           HA       PRO  66  -5.201 -14.203   6.398
  464   1HB   PRO  66          HB2       PRO  66  -5.758 -12.647   4.223
  465   2HB   PRO  66          HB3       PRO  66  -6.757 -14.040   4.732
  466   1HG   PRO  66          HG2       PRO  66  -7.205 -11.119   5.438
  467   2HG   PRO  66          HG3       PRO  66  -8.378 -12.257   4.702
  468   1HD   PRO  66          HD2       PRO  66  -8.389 -11.865   7.357
  469   2HD   PRO  66          HD3       PRO  66  -8.528 -13.522   6.691
  470    H    CYS  67           H        CYS  67  -3.136 -13.728   6.191
  471    HA   CYS  67           HA       CYS  67  -1.975 -11.188   6.938
  472   1HB   CYS  67          HB2       CYS  67  -0.845 -13.310   7.260
  473   2HB   CYS  67          HB3       CYS  67  -0.909 -13.659   5.532
  474    H    ASN  68           H        ASN  68  -2.947  -9.669   5.616
  475    HA   ASN  68           HA       ASN  68  -3.620  -9.552   3.017
  476   1HB   ASN  68          HB2       ASN  68  -3.917  -7.660   4.518
  477   2HB   ASN  68          HB3       ASN  68  -2.168  -7.389   4.585
  478   1HD2  ASN  68          1HD2      ASN  68  -4.242  -6.266   1.196
  479   2HD2  ASN  68          2HD2      ASN  68  -4.964  -7.437   2.284
  480    H    LYS  69           H        LYS  69  -0.270  -9.079   4.146
  481    HA   LYS  69           HA       LYS  69   1.117  -8.347   1.918
  482   1HB   LYS  69          HB2       LYS  69   2.073  -8.720   4.152
  483   2HB   LYS  69          HB3       LYS  69   1.933 -10.474   3.926
  484   1HG   LYS  69          HG2       LYS  69   3.511 -10.383   2.031
  485   2HG   LYS  69          HG3       LYS  69   3.593  -8.616   2.173
  486   1HD   LYS  69          HD2       LYS  69   4.613  -8.807   4.397
  487   2HD   LYS  69          HD3       LYS  69   4.336 -10.556   4.410
  488   1HE   LYS  69          HE2       LYS  69   6.687 -10.070   3.899
  489   2HE   LYS  69          HE3       LYS  69   5.899 -10.865   2.527
  490   1HZ   LYS  69          HZ1       LYS  69   5.674  -8.726   1.494
  491   2HZ   LYS  69          HZ2       LYS  69   6.376  -7.975   2.784
  492   3HZ   LYS  69          HZ3       LYS  69   7.252  -9.019   1.858
  493    H    CYS  70           H        CYS  70  -0.124 -11.631   2.591
  494    HA   CYS  70           HA       CYS  70   0.602 -12.472  -0.206
  495   1HB   CYS  70          HB2       CYS  70   0.967 -14.714   0.717
  496   2HB   CYS  70          HB3       CYS  70   2.090 -13.550   1.421
  497    H    HIS  71           H        HIS  71  -1.869 -11.282   1.131
  498    HA   HIS  71           HA       HIS  71  -4.117 -11.620   1.318
  499   1HB   HIS  71          HB2       HIS  71  -3.602 -13.249  -1.199
  500   2HB   HIS  71          HB3       HIS  71  -5.166 -12.610  -0.685
  501    HD1  HIS  71           HD1      HIS  71  -2.748  -9.887  -0.062
  502    HD2  HIS  71           HD2      HIS  71  -4.763 -11.579  -3.356
  503    HE1  HIS  71           HE1      HIS  71  -2.725  -8.144  -1.906
  504    H    GLY  72           H        GLY  72  -2.704 -13.319   3.033
  505   1HA   GLY  72          HA2       GLY  72  -3.038 -15.112   4.381
  506   2HA   GLY  72          HA3       GLY  72  -4.694 -15.192   3.774
  507    H    HIS  73           H        HIS  73  -2.221 -15.647   1.301
  508    HA   HIS  73           HA       HIS  73  -2.973 -18.463   0.998
  509   1HB   HIS  73          HB2       HIS  73  -0.938 -16.711  -0.441
  510   2HB   HIS  73          HB3       HIS  73  -1.346 -18.371  -0.868
  511    HD1  HIS  73           HD1      HIS  73  -4.199 -15.904  -0.010
  512    HD2  HIS  73           HD2      HIS  73  -2.221 -17.687  -3.275
  513    HE1  HIS  73           HE1      HIS  73  -5.630 -15.461  -2.058
  514    H    GLY  74           H        GLY  74  -0.491 -16.641   2.535
  515   1HA   GLY  74          HA2       GLY  74   1.017 -17.304   4.123
  516   2HA   GLY  74          HA3       GLY  74   0.759 -18.988   3.754
  517    H    ARG  75           H        ARG  75   1.417 -17.268   0.852
  518    HA   ARG  75           HA       ARG  75   4.303 -17.206   1.136
  519   1HB   ARG  75          HB2       ARG  75   4.704 -18.832  -0.686
  520   2HB   ARG  75          HB3       ARG  75   3.986 -19.570   0.738
  521   1HG   ARG  75          HG2       ARG  75   1.758 -18.848  -0.896
  522   2HG   ARG  75          HG3       ARG  75   2.988 -19.413  -2.015
  523   1HD   ARG  75          HD2       ARG  75   1.656 -21.295  -1.378
  524   2HD   ARG  75          HD3       ARG  75   3.204 -21.515  -0.574
  525    HE   ARG  75           HE       ARG  75   0.606 -20.561   0.626
  526   1HH1  ARG  75          1HH1      ARG  75   0.179 -20.890   2.699
  527   2HH1  ARG  75          2HH1      ARG  75   1.410 -21.434   3.838
  528   1HH2  ARG  75          1HH2      ARG  75   3.867 -21.848   1.319
  529   2HH2  ARG  75          2HH2      ARG  75   3.482 -22.072   3.010
  530    H    VAL  76           H        VAL  76   5.316 -16.180  -0.659
  531    HA   VAL  76           HA       VAL  76   3.434 -14.598  -2.383
  532    HB   VAL  76           HB       VAL  76   5.079 -12.804  -2.349
  533   1HG1  VAL  76          1HG1      VAL  76   4.636 -11.978  -0.104
  534   2HG1  VAL  76          2HG1      VAL  76   3.211 -12.845  -0.700
  535   3HG1  VAL  76          3HG1      VAL  76   4.298 -13.616   0.483
  536   1HG2  VAL  76          1HG2      VAL  76   6.907 -12.742  -0.700
  537   2HG2  VAL  76          2HG2      VAL  76   6.582 -14.420  -0.239
  538   3HG2  VAL  76          3HG2      VAL  76   7.162 -14.029  -1.881
  539    H    GLU  77           H        GLU  77   3.920 -14.543  -4.598
  540    HA   GLU  77           HA       GLU  77   5.453 -16.756  -5.531
  541   1HB   GLU  77          HB2       GLU  77   3.491 -15.938  -6.695
  542   2HB   GLU  77          HB3       GLU  77   4.312 -14.395  -7.055
  543   1HG   GLU  77          HG2       GLU  77   6.006 -15.684  -8.406
  544   2HG   GLU  77          HG3       GLU  77   5.111 -17.170  -8.052
  545    H    ARG  78           H        ARG  78   7.495 -16.956  -6.268
  546    HA   ARG  78           HA       ARG  78   9.396 -14.822  -5.626
  547   1HB   ARG  78          HB2       ARG  78   9.780 -17.282  -5.212
  548   2HB   ARG  78          HB3       ARG  78   9.941 -17.510  -6.952
  549   1HG   ARG  78          HG2       ARG  78  11.834 -15.867  -6.972
  550   2HG   ARG  78          HG3       ARG  78  11.660 -15.664  -5.225
  551   1HD   ARG  78          HD2       ARG  78  12.430 -18.241  -6.675
  552   2HD   ARG  78          HD3       ARG  78  13.507 -17.164  -5.807
  553    HE   ARG  78           HE       ARG  78  12.627 -17.750  -3.733
  554   1HH1  ARG  78          1HH1      ARG  78  11.640 -19.199  -2.306
  555   2HH1  ARG  78          2HH1      ARG  78  10.429 -20.305  -2.903
  556   1HH2  ARG  78          1HH2      ARG  78  11.221 -19.734  -6.298
  557   2HH2  ARG  78          2HH2      ARG  78  10.447 -20.860  -5.220
  558    H    SER  79           H        SER  79   8.063 -13.425  -7.235
  559    HA   SER  79           HA       SER  79   9.597 -13.177  -9.714
  560   1HB   SER  79          HB2       SER  79   6.578 -13.645  -9.829
  561   2HB   SER  79          HB3       SER  79   7.641 -13.280 -11.196
  562    HG   SER  79           HG       SER  79   8.721 -15.363 -10.058
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1  -9.607 -32.578  -7.553
    2   1HA   GLY   1          HA2       GLY   1  -7.029 -33.659  -6.581
    3   2HA   GLY   1          HA3       GLY   1  -8.294 -34.805  -7.074
    4    H    VAL   2           H        VAL   2  -7.130 -31.654  -8.319
    5    HA   VAL   2           HA       VAL   2  -6.314 -32.828 -10.898
    6    HB   VAL   2           HB       VAL   2  -7.526 -31.073 -12.143
    7   1HG1  VAL   2          1HG1      VAL   2  -9.729 -32.051 -12.106
    8   2HG1  VAL   2          2HG1      VAL   2  -8.528 -33.335 -11.880
    9   3HG1  VAL   2          3HG1      VAL   2  -9.467 -32.735 -10.494
   10   1HG2  VAL   2          1HG2      VAL   2  -7.795 -29.384 -10.363
   11   2HG2  VAL   2          2HG2      VAL   2  -9.346 -29.789 -11.107
   12   3HG2  VAL   2          3HG2      VAL   2  -8.940 -30.443  -9.511
   13    H    THR   3           H        THR   3  -5.253 -30.877 -12.222
   14    HA   THR   3           HA       THR   3  -3.138 -29.860 -10.550
   15    HB   THR   3           HB       THR   3  -2.417 -28.931 -12.810
   16    HG1  THR   3           HG1      THR   3  -4.467 -28.718 -13.702
   17   1HG2  THR   3          1HG2      THR   3  -1.960 -31.124 -13.801
   18   2HG2  THR   3          2HG2      THR   3  -1.698 -31.182 -12.048
   19   3HG2  THR   3          3HG2      THR   3  -3.165 -31.894 -12.756
   20    H    LYS   4           H        LYS   4  -5.035 -28.727  -9.260
   21    HA   LYS   4           HA       LYS   4  -5.586 -25.991 -10.295
   22   1HB   LYS   4          HB2       LYS   4  -7.408 -27.306  -9.333
   23   2HB   LYS   4          HB3       LYS   4  -6.565 -27.439  -7.787
   24   1HG   LYS   4          HG2       LYS   4  -7.141 -24.711  -9.000
   25   2HG   LYS   4          HG3       LYS   4  -8.446 -25.625  -8.235
   26   1HD   LYS   4          HD2       LYS   4  -7.193 -25.802  -6.137
   27   2HD   LYS   4          HD3       LYS   4  -5.859 -24.852  -6.804
   28   1HE   LYS   4          HE2       LYS   4  -8.727 -23.876  -6.449
   29   2HE   LYS   4          HE3       LYS   4  -7.358 -23.500  -5.392
   30   1HZ   LYS   4          HZ1       LYS   4  -7.577 -22.763  -8.224
   31   2HZ   LYS   4          HZ2       LYS   4  -7.741 -21.752  -6.936
   32   3HZ   LYS   4          HZ3       LYS   4  -6.282 -22.449  -7.255
   33    H    GLU   5           H        GLU   5  -3.973 -27.741  -7.621
   34    HA   GLU   5           HA       GLU   5  -2.824 -25.318  -6.508
   35   1HB   GLU   5          HB2       GLU   5  -2.192 -28.222  -5.888
   36   2HB   GLU   5          HB3       GLU   5  -1.716 -26.815  -4.936
   37   1HG   GLU   5          HG2       GLU   5  -4.569 -27.803  -5.382
   38   2HG   GLU   5          HG3       GLU   5  -3.608 -27.932  -3.902
   39    H    ILE   6           H        ILE   6  -2.099 -25.161  -9.064
   40    HA   ILE   6           HA       ILE   6   0.569 -26.341  -9.471
   41    HB   ILE   6           HB       ILE   6   0.569 -24.925 -11.545
   42   1HG1  ILE   6          2HG1      ILE   6  -2.408 -24.529 -10.981
   43   2HG1  ILE   6          3HG1      ILE   6  -1.188 -23.267 -10.731
   44   1HG2  ILE   6          1HG2      ILE   6   0.058 -27.300 -11.484
   45   2HG2  ILE   6          2HG2      ILE   6  -1.649 -26.955 -11.136
   46   3HG2  ILE   6          3HG2      ILE   6  -0.937 -26.502 -12.702
   47   1HD1  ILE   6          1HD1      ILE   6  -2.217 -22.928 -12.871
   48   2HD1  ILE   6          2HD1      ILE   6  -0.538 -23.439 -13.129
   49   3HD1  ILE   6          3HD1      ILE   6  -1.877 -24.587 -13.381
   50    H    ARG   7           H        ARG   7   1.008 -25.386  -7.237
   51    HA   ARG   7           HA       ARG   7   1.887 -22.567  -7.272
   52   1HB   ARG   7          HB2       ARG   7   2.273 -24.762  -5.205
   53   2HB   ARG   7          HB3       ARG   7   2.703 -23.062  -5.012
   54   1HG   ARG   7          HG2       ARG   7  -0.102 -24.223  -5.281
   55   2HG   ARG   7          HG3       ARG   7   0.645 -23.481  -3.868
   56   1HD   ARG   7          HD2       ARG   7  -0.652 -21.704  -4.610
   57   2HD   ARG   7          HD3       ARG   7   0.870 -21.342  -5.390
   58    HE   ARG   7           HE       ARG   7  -0.051 -21.818  -7.473
   59   1HH1  ARG   7          1HH1      ARG   7  -2.299 -22.868  -4.943
   60   2HH1  ARG   7          2HH1      ARG   7  -3.577 -23.250  -6.055
   61   1HH2  ARG   7          1HH2      ARG   7  -1.690 -22.393  -8.927
   62   2HH2  ARG   7          2HH2      ARG   7  -3.126 -23.226  -8.373
   63    H    ILE   8           H        ILE   8   3.032 -23.015  -9.266
   64    HA   ILE   8           HA       ILE   8   5.262 -24.508  -9.745
   65    HB   ILE   8           HB       ILE   8   4.732 -21.583 -10.373
   66   1HG1  ILE   8          2HG1      ILE   8   4.484 -24.103 -12.089
   67   2HG1  ILE   8          3HG1      ILE   8   3.136 -23.315 -11.268
   68   1HG2  ILE   8          1HG2      ILE   8   7.202 -22.019 -10.597
   69   2HG2  ILE   8          2HG2      ILE   8   6.822 -23.313 -11.757
   70   3HG2  ILE   8          3HG2      ILE   8   6.418 -21.625 -12.110
   71   1HD1  ILE   8          1HD1      ILE   8   3.596 -21.223 -12.572
   72   2HD1  ILE   8          2HD1      ILE   8   4.776 -22.146 -13.537
   73   3HD1  ILE   8          3HD1      ILE   8   3.073 -22.618 -13.534
   74    HA   PRO   9           HA       PRO   9   7.974 -23.407  -6.388
   75   1HB   PRO   9          HB2       PRO   9  10.330 -24.574  -7.116
   76   2HB   PRO   9          HB3       PRO   9   8.861 -25.498  -6.716
   77   1HG   PRO   9          HG2       PRO   9   9.781 -24.665  -9.483
   78   2HG   PRO   9          HG3       PRO   9   9.380 -26.318  -8.924
   79   1HD   PRO   9          HD2       PRO   9   7.543 -24.813 -10.197
   80   2HD   PRO   9          HD3       PRO   9   7.059 -25.790  -8.782
   81    H    THR  10           H        THR  10   7.517 -21.111  -7.444
   82    HA   THR  10           HA       THR  10  10.151 -19.755  -7.443
   83    HB   THR  10           HB       THR  10   8.026 -19.117  -9.520
   84    HG1  THR  10           HG1      THR  10  10.148 -20.904  -9.475
   85   1HG2  THR  10          1HG2      THR  10  10.925 -18.211  -9.152
   86   2HG2  THR  10          2HG2      THR  10   9.889 -17.817 -10.539
   87   3HG2  THR  10          3HG2      THR  10   9.480 -17.196  -8.934
   88    H    LEU  11           H        LEU  11   8.780 -20.158  -5.301
   89    HA   LEU  11           HA       LEU  11   7.387 -17.640  -4.652
   90   1HB   LEU  11          HB2       LEU  11   6.420 -20.429  -3.923
   91   2HB   LEU  11          HB3       LEU  11   5.686 -18.911  -3.407
   92    HG   LEU  11           HG       LEU  11   5.792 -19.898  -6.302
   93   1HD1  LEU  11          1HD1      LEU  11   3.443 -19.903  -4.394
   94   2HD1  LEU  11          2HD1      LEU  11   3.485 -20.491  -6.065
   95   3HD1  LEU  11          3HD1      LEU  11   4.416 -21.339  -4.814
   96   1HD2  LEU  11          1HD2      LEU  11   3.830 -18.217  -6.490
   97   2HD2  LEU  11          2HD2      LEU  11   4.447 -17.504  -4.986
   98   3HD2  LEU  11          3HD2      LEU  11   5.452 -17.564  -6.458
   99    H    GLU  12           H        GLU  12   7.478 -17.209  -2.378
  100    HA   GLU  12           HA       GLU  12   9.493 -18.716  -0.779
  101   1HB   GLU  12          HB2       GLU  12   9.207 -15.695  -1.092
  102   2HB   GLU  12          HB3       GLU  12  10.335 -16.534  -0.015
  103   1HG   GLU  12          HG2       GLU  12  11.453 -17.552  -1.973
  104   2HG   GLU  12          HG3       GLU  12  10.342 -16.718  -3.077
  105    H    GLU  13           H        GLU  13   8.591 -19.293   1.115
  106    HA   GLU  13           HA       GLU  13   5.960 -18.561   1.922
  107   1HB   GLU  13          HB2       GLU  13   8.289 -20.015   3.194
  108   2HB   GLU  13          HB3       GLU  13   6.928 -19.528   4.200
  109   1HG   GLU  13          HG2       GLU  13   6.655 -21.832   3.336
  110   2HG   GLU  13          HG3       GLU  13   5.347 -20.741   2.871
  111    H    CYS  14           H        CYS  14   5.173 -16.993   3.214
  112    HA   CYS  14           HA       CYS  14   6.750 -14.652   3.764
  113   1HB   CYS  14          HB2       CYS  14   4.314 -14.666   3.311
  114   2HB   CYS  14          HB3       CYS  14   4.079 -15.607   4.754
  115    H    ASP  15           H        ASP  15   8.257 -14.641   5.407
  116    HA   ASP  15           HA       ASP  15   8.489 -16.502   7.490
  117   1HB   ASP  15          HB2       ASP  15  10.081 -14.986   8.478
  118   2HB   ASP  15          HB3       ASP  15  10.300 -14.979   6.724
  119    H    VAL  16           H        VAL  16   6.827 -13.354   7.438
  120    HA   VAL  16           HA       VAL  16   6.211 -13.094  10.157
  121    HB   VAL  16           HB       VAL  16   4.582 -12.138   7.774
  122   1HG1  VAL  16          1HG1      VAL  16   3.346 -11.964   9.877
  123   2HG1  VAL  16          2HG1      VAL  16   4.714 -11.102  10.624
  124   3HG1  VAL  16          3HG1      VAL  16   3.814 -10.369   9.276
  125   1HG2  VAL  16          1HG2      VAL  16   5.891 -10.003   8.188
  126   2HG2  VAL  16          2HG2      VAL  16   6.936 -10.914   9.288
  127   3HG2  VAL  16          3HG2      VAL  16   6.880 -11.322   7.561
  128    H    CYS  17           H        CYS  17   4.178 -14.792   7.679
  129    HA   CYS  17           HA       CYS  17   2.468 -15.779   9.923
  130   1HB   CYS  17          HB2       CYS  17   0.965 -16.559   8.245
  131   2HB   CYS  17          HB3       CYS  17   1.246 -14.815   8.166
  132    H    HIS  18           H        HIS  18   5.286 -16.738   8.365
  133    HA   HIS  18           HA       HIS  18   6.485 -18.598   8.489
  134   1HB   HIS  18          HB2       HIS  18   4.327 -19.983  10.062
  135   2HB   HIS  18          HB3       HIS  18   6.075 -20.228  10.123
  136    HD1  HIS  18           HD1      HIS  18   6.566 -16.929  10.660
  137    HD2  HIS  18           HD2      HIS  18   3.977 -19.596  12.630
  138    HE1  HIS  18           HE1      HIS  18   6.049 -15.900  12.928
  139    H    GLY  19           H        GLY  19   4.884 -18.064   6.302
  140   1HA   GLY  19          HA2       GLY  19   4.383 -19.147   4.325
  141   2HA   GLY  19          HA3       GLY  19   4.795 -20.681   5.089
  142    H    SER  20           H        SER  20   2.411 -19.478   7.134
  143    HA   SER  20           HA       SER  20   0.506 -21.359   5.975
  144   1HB   SER  20          HB2       SER  20  -0.967 -20.707   7.809
  145   2HB   SER  20          HB3       SER  20   0.620 -21.176   8.402
  146    HG   SER  20           HG       SER  20   1.057 -19.058   8.885
  147    H    GLY  21           H        GLY  21   0.111 -18.055   6.932
  148   1HA   GLY  21          HA2       GLY  21  -0.648 -16.340   5.097
  149   2HA   GLY  21          HA3       GLY  21  -1.983 -17.480   4.895
  150    H    ALA  22           H        ALA  22  -1.290 -17.909   8.086
  151    HA   ALA  22           HA       ALA  22  -3.496 -16.274   8.964
  152   1HB   ALA  22          HB1       ALA  22  -3.097 -18.523   9.784
  153   2HB   ALA  22          HB2       ALA  22  -1.517 -18.041  10.451
  154   3HB   ALA  22          HB3       ALA  22  -3.007 -17.366  11.130
  155    H    LYS  23           H        LYS  23  -3.399 -14.346  10.000
  156    HA   LYS  23           HA       LYS  23  -1.366 -12.546   9.884
  157   1HB   LYS  23          HB2       LYS  23  -3.658 -11.992  10.404
  158   2HB   LYS  23          HB3       LYS  23  -3.587 -12.894  11.919
  159   1HG   LYS  23          HG2       LYS  23  -1.903 -11.178  12.766
  160   2HG   LYS  23          HG3       LYS  23  -2.284 -10.226  11.304
  161   1HD   LYS  23          HD2       LYS  23  -4.670 -10.194  11.967
  162   2HD   LYS  23          HD3       LYS  23  -4.284 -11.179  13.397
  163   1HE   LYS  23          HE2       LYS  23  -2.774  -9.400  14.234
  164   2HE   LYS  23          HE3       LYS  23  -3.173  -8.393  12.826
  165   1HZ   LYS  23          HZ1       LYS  23  -4.461  -7.810  14.737
  166   2HZ   LYS  23          HZ2       LYS  23  -5.450  -8.401  13.558
  167   3HZ   LYS  23          HZ3       LYS  23  -5.068  -9.336  14.862
  168    HA   PRO  24           HA       PRO  24   1.877 -13.831  12.610
  169   1HB   PRO  24          HB2       PRO  24   2.656 -11.379  13.755
  170   2HB   PRO  24          HB3       PRO  24   3.217 -12.086  12.223
  171   1HG   PRO  24          HG2       PRO  24   1.002 -10.077  12.677
  172   2HG   PRO  24          HG3       PRO  24   2.259 -10.038  11.409
  173   1HD   PRO  24          HD2       PRO  24  -0.211 -10.874  10.842
  174   2HD   PRO  24          HD3       PRO  24   1.144 -11.815  10.190
  175    H    GLY  25           H        GLY  25   2.060 -14.517  14.727
  176   1HA   GLY  25          HA2       GLY  25   1.415 -15.057  16.843
  177   2HA   GLY  25          HA3       GLY  25   1.010 -13.346  17.055
  178    H    THR  26           H        THR  26  -0.697 -15.141  14.533
  179    HA   THR  26           HA       THR  26  -3.053 -15.596  16.272
  180    HB   THR  26           HB       THR  26  -3.210 -14.405  13.496
  181    HG1  THR  26           HG1      THR  26  -2.003 -12.953  14.816
  182   1HG2  THR  26          1HG2      THR  26  -5.101 -14.314  15.888
  183   2HG2  THR  26          2HG2      THR  26  -5.395 -13.561  14.309
  184   3HG2  THR  26          3HG2      THR  26  -5.318 -15.324  14.437
  185    H    GLN  27           H        GLN  27  -4.523 -17.155  15.193
  186    HA   GLN  27           HA       GLN  27  -3.004 -19.097  13.528
  187   1HB   GLN  27          HB2       GLN  27  -3.853 -20.868  14.807
  188   2HB   GLN  27          HB3       GLN  27  -3.246 -19.680  15.953
  189   1HG   GLN  27          HG2       GLN  27  -6.182 -20.199  15.255
  190   2HG   GLN  27          HG3       GLN  27  -5.320 -20.741  16.686
  191   1HE2  GLN  27          1HE2      GLN  27  -6.704 -16.888  16.524
  192   2HE2  GLN  27          2HE2      GLN  27  -6.652 -17.870  15.055
  193    HA   PRO  28           HA       PRO  28  -6.653 -19.066  10.873
  194   1HB   PRO  28          HB2       PRO  28  -6.210 -21.214   9.340
  195   2HB   PRO  28          HB3       PRO  28  -5.076 -19.836   9.296
  196   1HG   PRO  28          HG2       PRO  28  -4.797 -22.408  10.886
  197   2HG   PRO  28          HG3       PRO  28  -3.574 -21.653   9.819
  198   1HD   PRO  28          HD2       PRO  28  -3.675 -21.314  12.550
  199   2HD   PRO  28          HD3       PRO  28  -3.047 -20.057  11.458
  200    H    GLN  29           H        GLN  29  -8.378 -20.920  10.187
  201    HA   GLN  29           HA       GLN  29  -8.943 -22.557  12.667
  202   1HB   GLN  29          HB2       GLN  29 -10.904 -21.133  10.842
  203   2HB   GLN  29          HB3       GLN  29 -11.319 -22.286  12.125
  204   1HG   GLN  29          HG2       GLN  29 -10.106 -20.835  13.780
  205   2HG   GLN  29          HG3       GLN  29  -9.867 -19.628  12.504
  206   1HE2  GLN  29          1HE2      GLN  29 -12.862 -18.595  14.434
  207   2HE2  GLN  29          2HE2      GLN  29 -11.147 -18.778  14.753
  208    H    THR  30           H        THR  30  -9.075 -24.727  12.397
  209    HA   THR  30           HA       THR  30  -8.316 -26.080  10.172
  210    HB   THR  30           HB       THR  30 -10.435 -27.071  12.130
  211    HG1  THR  30           HG1      THR  30  -8.654 -27.347  13.576
  212   1HG2  THR  30          1HG2      THR  30  -7.939 -28.368  10.939
  213   2HG2  THR  30          2HG2      THR  30  -9.082 -29.144  12.056
  214   3HG2  THR  30          3HG2      THR  30  -9.620 -28.674  10.434
  215    H    CYS  31           H        CYS  31  -9.270 -26.434   8.134
  216    HA   CYS  31           HA       CYS  31 -11.880 -25.432   7.568
  217   1HB   CYS  31          HB2       CYS  31 -10.082 -25.687   5.875
  218   2HB   CYS  31          HB3       CYS  31 -10.229 -27.437   6.021
  219    HA   PRO  32           HA       PRO  32 -13.795 -29.102   9.405
  220   1HB   PRO  32          HB2       PRO  32 -16.430 -28.450   9.240
  221   2HB   PRO  32          HB3       PRO  32 -15.290 -27.665  10.377
  222   1HG   PRO  32          HG2       PRO  32 -16.171 -26.627   7.668
  223   2HG   PRO  32          HG3       PRO  32 -16.162 -25.752   9.225
  224   1HD   PRO  32          HD2       PRO  32 -14.127 -25.543   7.431
  225   2HD   PRO  32          HD3       PRO  32 -13.816 -25.528   9.192
  226    H    THR  33           H        THR  33 -14.778 -27.762   6.215
  227    HA   THR  33           HA       THR  33 -16.251 -29.749   5.128
  228    HB   THR  33           HB       THR  33 -14.062 -28.390   3.543
  229    HG1  THR  33           HG1      THR  33 -16.335 -27.059   4.586
  230   1HG2  THR  33          1HG2      THR  33 -15.811 -29.709   2.348
  231   2HG2  THR  33          2HG2      THR  33 -17.067 -28.691   3.074
  232   3HG2  THR  33          3HG2      THR  33 -15.887 -27.981   1.953
  233    H    CYS  34           H        CYS  34 -12.713 -29.761   5.520
  234    HA   CYS  34           HA       CYS  34 -12.601 -32.593   4.503
  235   1HB   CYS  34          HB2       CYS  34 -10.206 -32.051   4.013
  236   2HB   CYS  34          HB3       CYS  34 -11.391 -31.316   2.948
  237    H    HIS  35           H        HIS  35 -13.008 -31.200   7.296
  238    HA   HIS  35           HA       HIS  35 -12.290 -31.452   9.439
  239   1HB   HIS  35          HB2       HIS  35 -11.397 -34.200   8.482
  240   2HB   HIS  35          HB3       HIS  35 -11.815 -33.731  10.127
  241    HD1  HIS  35           HD1      HIS  35 -14.565 -32.220   8.387
  242    HD2  HIS  35           HD2      HIS  35 -13.304 -36.176   9.098
  243    HE1  HIS  35           HE1      HIS  35 -16.614 -33.699   8.116
  244    H    GLY  36           H        GLY  36 -10.452 -30.039   7.890
  245   1HA   GLY  36          HA2       GLY  36  -8.339 -29.169   8.142
  246   2HA   GLY  36          HA3       GLY  36  -8.007 -30.349   9.415
  247    H    SER  37           H        SER  37  -8.857 -32.425   7.060
  248    HA   SER  37           HA       SER  37  -6.207 -33.242   6.559
  249   1HB   SER  37          HB2       SER  37  -8.613 -34.114   4.930
  250   2HB   SER  37          HB3       SER  37  -7.183 -35.046   5.409
  251    HG   SER  37           HG       SER  37  -9.420 -34.228   6.925
  252    H    GLY  38           H        GLY  38  -7.940 -30.780   4.957
  253   1HA   GLY  38          HA2       GLY  38  -7.368 -29.481   3.120
  254   2HA   GLY  38          HA3       GLY  38  -5.899 -30.437   2.929
  255    H    GLN  39           H        GLN  39  -8.368 -32.683   2.952
  256    HA   GLN  39           HA       GLN  39  -8.942 -32.467   0.058
  257   1HB   GLN  39          HB2       GLN  39  -8.590 -34.929  -0.114
  258   2HB   GLN  39          HB3       GLN  39  -7.157 -33.939   0.089
  259   1HG   GLN  39          HG2       GLN  39  -6.486 -35.381   1.612
  260   2HG   GLN  39          HG3       GLN  39  -7.616 -34.649   2.727
  261   1HE2  GLN  39          1HE2      GLN  39  -9.899 -37.463   2.591
  262   2HE2  GLN  39          2HE2      GLN  39  -9.917 -35.699   2.725
  263    H    VAL  40           H        VAL  40 -11.004 -32.670  -0.383
  264    HA   VAL  40           HA       VAL  40 -12.957 -33.293   1.757
  265    HB   VAL  40           HB       VAL  40 -14.589 -33.067  -0.209
  266   1HG1  VAL  40          1HG1      VAL  40 -12.935 -30.647   0.552
  267   2HG1  VAL  40          2HG1      VAL  40 -14.576 -30.641  -0.148
  268   3HG1  VAL  40          3HG1      VAL  40 -14.299 -31.343   1.463
  269   1HG2  VAL  40          1HG2      VAL  40 -12.871 -33.336  -2.030
  270   2HG2  VAL  40          2HG2      VAL  40 -13.909 -31.915  -2.205
  271   3HG2  VAL  40          3HG2      VAL  40 -12.246 -31.724  -1.627
  272    H    GLN  41           H        GLN  41 -13.824 -35.340   1.998
  273    HA   GLN  41           HA       GLN  41 -13.038 -37.358  -0.044
  274   1HB   GLN  41          HB2       GLN  41 -11.966 -37.346   2.173
  275   2HB   GLN  41          HB3       GLN  41 -13.478 -37.910   2.885
  276   1HG   GLN  41          HG2       GLN  41 -13.336 -40.004   1.759
  277   2HG   GLN  41          HG3       GLN  41 -12.324 -39.363   0.469
  278   1HE2  GLN  41          1HE2      GLN  41 -10.023 -41.461   2.325
  279   2HE2  GLN  41          2HE2      GLN  41 -11.399 -41.620   1.232
  280    H    MET  42           H        MET  42 -14.632 -37.846  -1.285
  281    HA   MET  42           HA       MET  42 -17.427 -37.406  -0.617
  282   1HB   MET  42          HB2       MET  42 -16.188 -38.827  -3.014
  283   2HB   MET  42          HB3       MET  42 -17.826 -38.176  -2.883
  284   1HG   MET  42          HG2       MET  42 -15.191 -36.655  -2.994
  285   2HG   MET  42          HG3       MET  42 -16.468 -36.667  -4.198
  286   1HE   MET  42          HE1       MET  42 -19.111 -36.221  -2.392
  287   2HE   MET  42          HE2       MET  42 -19.224 -34.451  -2.512
  288   3HE   MET  42          HE3       MET  42 -18.771 -35.408  -3.943
  289    H    ARG  43           H        ARG  43 -17.189 -38.736   1.331
  290    HA   ARG  43           HA       ARG  43 -16.804 -41.554   1.343
  291   1HB   ARG  43          HB2       ARG  43 -18.147 -39.641   3.273
  292   2HB   ARG  43          HB3       ARG  43 -17.841 -41.342   3.649
  293   1HG   ARG  43          HG2       ARG  43 -15.602 -41.060   3.935
  294   2HG   ARG  43          HG3       ARG  43 -15.460 -39.927   2.594
  295   1HD   ARG  43          HD2       ARG  43 -14.881 -38.811   4.625
  296   2HD   ARG  43          HD3       ARG  43 -16.362 -38.099   3.951
  297    HE   ARG  43           HE       ARG  43 -17.158 -40.068   5.801
  298   1HH1  ARG  43          1HH1      ARG  43 -15.414 -37.001   5.755
  299   2HH1  ARG  43          2HH1      ARG  43 -15.747 -36.586   7.417
  300   1HH2  ARG  43          1HH2      ARG  43 -17.676 -39.523   7.990
  301   2HH2  ARG  43          2HH2      ARG  43 -17.093 -38.030   8.682
  302    H    GLN  44           H        GLN  44 -18.278 -41.742  -0.720
  303    HA   GLN  44           HA       GLN  44 -21.138 -42.039  -0.213
  304   1HB   GLN  44          HB2       GLN  44 -21.151 -42.905  -2.534
  305   2HB   GLN  44          HB3       GLN  44 -20.409 -41.318  -2.385
  306   1HG   GLN  44          HG2       GLN  44 -18.418 -42.014  -3.179
  307   2HG   GLN  44          HG3       GLN  44 -18.370 -43.419  -2.115
  308   1HE2  GLN  44          1HE2      GLN  44 -20.014 -45.645  -4.434
  309   2HE2  GLN  44          2HE2      GLN  44 -20.065 -45.197  -2.740
  310    H    GLY  45           H        GLY  45 -20.042 -43.458   1.751
  311   1HA   GLY  45          HA2       GLY  45 -20.202 -45.477   2.797
  312   2HA   GLY  45          HA3       GLY  45 -21.071 -46.107   1.395
  313    H    PHE  46           H        PHE  46 -19.524 -46.451  -0.589
  314    HA   PHE  46           HA       PHE  46 -17.329 -48.208   0.372
  315   1HB   PHE  46          HB2       PHE  46 -17.548 -49.276  -1.857
  316   2HB   PHE  46          HB3       PHE  46 -18.888 -49.463  -0.746
  317    HD1  PHE  46           HD1      PHE  46 -18.026 -48.635  -4.104
  318    HD2  PHE  46           HD2      PHE  46 -21.008 -48.054  -1.042
  319    HE1  PHE  46           HE1      PHE  46 -19.730 -48.184  -5.833
  320    HE2  PHE  46           HE2      PHE  46 -22.677 -47.500  -2.775
  321    HZ   PHE  46           HZ       PHE  46 -22.055 -47.595  -5.180
  322    H    PHE  47           H        PHE  47 -17.721 -46.335  -2.732
  323    HA   PHE  47           HA       PHE  47 -14.802 -46.124  -2.831
  324   1HB   PHE  47          HB2       PHE  47 -16.832 -44.783  -4.621
  325   2HB   PHE  47          HB3       PHE  47 -15.116 -44.960  -4.915
  326    HD1  PHE  47           HD1      PHE  47 -17.680 -45.837  -6.563
  327    HD2  PHE  47           HD2      PHE  47 -14.732 -47.906  -4.172
  328    HE1  PHE  47           HE1      PHE  47 -17.949 -47.865  -7.959
  329    HE2  PHE  47           HE2      PHE  47 -15.066 -49.938  -5.527
  330    HZ   PHE  47           HZ       PHE  47 -16.673 -49.931  -7.422
  331    H    ALA  48           H        ALA  48 -14.796 -45.083  -0.656
  332    HA   ALA  48           HA       ALA  48 -15.540 -42.288  -0.459
  333   1HB   ALA  48          HB1       ALA  48 -15.487 -43.793   1.488
  334   2HB   ALA  48          HB2       ALA  48 -13.734 -43.997   1.295
  335   3HB   ALA  48          HB3       ALA  48 -14.403 -42.407   1.721
  336    H    VAL  49           H        VAL  49 -14.301 -42.043  -2.699
  337    HA   VAL  49           HA       VAL  49 -11.418 -41.494  -2.344
  338    HB   VAL  49           HB       VAL  49 -11.609 -40.650  -4.739
  339   1HG1  VAL  49          1HG1      VAL  49 -11.546 -42.944  -5.609
  340   2HG1  VAL  49          2HG1      VAL  49 -10.631 -42.750  -4.098
  341   3HG1  VAL  49          3HG1      VAL  49 -12.226 -43.543  -4.072
  342   1HG2  VAL  49          1HG2      VAL  49 -14.273 -42.123  -4.755
  343   2HG2  VAL  49          2HG2      VAL  49 -14.120 -40.350  -4.743
  344   3HG2  VAL  49          3HG2      VAL  49 -13.467 -41.296  -6.092
  345    H    GLN  50           H        GLN  50 -10.513 -39.406  -3.029
  346    HA   GLN  50           HA       GLN  50 -12.198 -37.183  -2.022
  347   1HB   GLN  50          HB2       GLN  50 -10.176 -36.390  -0.820
  348   2HB   GLN  50          HB3       GLN  50 -10.570 -38.033  -0.318
  349   1HG   GLN  50          HG2       GLN  50  -8.605 -37.599  -2.582
  350   2HG   GLN  50          HG3       GLN  50  -8.099 -37.306  -0.931
  351   1HE2  GLN  50          1HE2      GLN  50  -8.037 -40.740   0.010
  352   2HE2  GLN  50          2HE2      GLN  50  -7.982 -39.070   0.574
  353    H    GLN  51           H        GLN  51 -11.191 -35.043  -2.282
  354    HA   GLN  51           HA       GLN  51  -9.734 -34.621  -4.825
  355   1HB   GLN  51          HB2       GLN  51 -12.234 -33.060  -4.075
  356   2HB   GLN  51          HB3       GLN  51 -11.308 -32.900  -5.545
  357   1HG   GLN  51          HG2       GLN  51 -12.157 -34.919  -6.462
  358   2HG   GLN  51          HG3       GLN  51 -12.764 -35.506  -4.910
  359   1HE2  GLN  51          1HE2      GLN  51 -15.631 -33.360  -4.765
  360   2HE2  GLN  51          2HE2      GLN  51 -14.377 -34.033  -3.751
  361    H    THR  52           H        THR  52  -8.618 -32.464  -4.693
  362    HA   THR  52           HA       THR  52  -7.785 -31.747  -2.068
  363    HB   THR  52           HB       THR  52  -7.735 -30.032  -4.595
  364    HG1  THR  52           HG1      THR  52  -6.004 -32.124  -3.764
  365   1HG2  THR  52          1HG2      THR  52  -5.608 -29.211  -3.607
  366   2HG2  THR  52          2HG2      THR  52  -6.989 -28.862  -2.556
  367   3HG2  THR  52          3HG2      THR  52  -5.890 -30.203  -2.162
  368    H    CYS  53           H        CYS  53  -8.697 -30.227  -0.589
  369    HA   CYS  53           HA       CYS  53 -11.385 -29.352  -1.129
  370   1HB   CYS  53          HB2       CYS  53 -10.588 -29.932   1.118
  371   2HB   CYS  53          HB3       CYS  53  -9.498 -28.542   1.084
  372    HA   PRO  54           HA       PRO  54  -9.765 -25.640  -3.218
  373   1HB   PRO  54          HB2       PRO  54 -12.083 -24.536  -4.118
  374   2HB   PRO  54          HB3       PRO  54 -11.379 -26.019  -4.826
  375   1HG   PRO  54          HG2       PRO  54 -13.589 -25.842  -2.758
  376   2HG   PRO  54          HG3       PRO  54 -13.568 -26.801  -4.263
  377   1HD   PRO  54          HD2       PRO  54 -12.909 -27.881  -1.849
  378   2HD   PRO  54          HD3       PRO  54 -12.090 -28.382  -3.356
  379    H    HIS  55           H        HIS  55 -12.440 -25.570  -0.856
  380    HA   HIS  55           HA       HIS  55 -12.635 -22.904  -0.271
  381   1HB   HIS  55          HB2       HIS  55 -14.010 -24.802   0.641
  382   2HB   HIS  55          HB3       HIS  55 -12.718 -25.125   1.807
  383    HD1  HIS  55           HD1      HIS  55 -12.581 -21.600   1.909
  384    HD2  HIS  55           HD2      HIS  55 -15.455 -24.464   3.044
  385    HE1  HIS  55           HE1      HIS  55 -14.150 -20.454   3.579
  386    H    CYS  56           H        CYS  56 -10.147 -25.135   0.914
  387    HA   CYS  56           HA       CYS  56  -8.618 -22.833   2.097
  388   1HB   CYS  56          HB2       CYS  56  -7.609 -24.453   3.611
  389   2HB   CYS  56          HB3       CYS  56  -9.338 -24.282   3.875
  390    H    GLN  57           H        GLN  57  -8.721 -24.135  -0.725
  391    HA   GLN  57           HA       GLN  57  -7.308 -24.923  -2.314
  392   1HB   GLN  57          HB2       GLN  57  -5.338 -23.014  -0.993
  393   2HB   GLN  57          HB3       GLN  57  -5.424 -23.489  -2.687
  394   1HG   GLN  57          HG2       GLN  57  -6.318 -21.325  -2.614
  395   2HG   GLN  57          HG3       GLN  57  -7.728 -22.380  -2.771
  396   1HE2  GLN  57          1HE2      GLN  57  -9.208 -21.142   0.211
  397   2HE2  GLN  57          2HE2      GLN  57  -9.364 -22.033  -1.284
  398    H    GLY  58           H        GLY  58  -7.322 -26.861  -0.388
  399   1HA   GLY  58          HA2       GLY  58  -6.132 -28.750   0.170
  400   2HA   GLY  58          HA3       GLY  58  -4.788 -28.177  -0.810
  401    H    ARG  59           H        ARG  59  -5.125 -25.661   1.285
  402    HA   ARG  59           HA       ARG  59  -2.852 -26.425   2.873
  403   1HB   ARG  59          HB2       ARG  59  -4.693 -24.019   3.113
  404   2HB   ARG  59          HB3       ARG  59  -3.088 -24.161   3.808
  405   1HG   ARG  59          HG2       ARG  59  -1.990 -23.840   1.789
  406   2HG   ARG  59          HG3       ARG  59  -3.275 -24.545   0.824
  407   1HD   ARG  59          HD2       ARG  59  -3.307 -22.269   0.290
  408   2HD   ARG  59          HD3       ARG  59  -4.723 -22.544   1.315
  409    HE   ARG  59           HE       ARG  59  -2.407 -21.700   2.833
  410   1HH1  ARG  59          1HH1      ARG  59  -2.098 -19.538   3.414
  411   2HH1  ARG  59          2HH1      ARG  59  -3.141 -18.280   2.791
  412   1HH2  ARG  59          1HH2      ARG  59  -5.150 -20.466   0.853
  413   2HH2  ARG  59          2HH2      ARG  59  -4.827 -18.820   1.313
  414    H    GLY  60           H        GLY  60  -6.142 -27.120   3.283
  415   1HA   GLY  60          HA2       GLY  60  -7.320 -28.101   5.007
  416   2HA   GLY  60          HA3       GLY  60  -5.794 -28.269   5.869
  417    H    THR  61           H        THR  61  -5.716 -25.069   5.524
  418    HA   THR  61           HA       THR  61  -7.187 -24.519   8.036
  419    HB   THR  61           HB       THR  61  -5.235 -22.689   7.966
  420    HG1  THR  61           HG1      THR  61  -4.062 -24.850   6.522
  421   1HG2  THR  61          1HG2      THR  61  -5.531 -24.375   9.731
  422   2HG2  THR  61          2HG2      THR  61  -4.791 -25.617   8.694
  423   3HG2  THR  61          3HG2      THR  61  -3.824 -24.242   9.269
  424    H    LEU  62           H        LEU  62  -8.576 -22.898   8.087
  425    HA   LEU  62           HA       LEU  62  -9.109 -21.301   5.659
  426   1HB   LEU  62          HB2       LEU  62 -10.596 -21.541   8.305
  427   2HB   LEU  62          HB3       LEU  62 -11.060 -20.483   6.975
  428    HG   LEU  62           HG       LEU  62 -10.873 -23.514   6.762
  429   1HD1  LEU  62          1HD1      LEU  62 -12.693 -22.777   8.276
  430   2HD1  LEU  62          2HD1      LEU  62 -13.282 -21.657   7.025
  431   3HD1  LEU  62          3HD1      LEU  62 -13.359 -23.405   6.755
  432   1HD2  LEU  62          1HD2      LEU  62 -10.575 -22.453   4.555
  433   2HD2  LEU  62          2HD2      LEU  62 -12.203 -23.116   4.664
  434   3HD2  LEU  62          3HD2      LEU  62 -11.938 -21.366   4.873
  435    H    ILE  63           H        ILE  63  -8.077 -19.529   5.436
  436    HA   ILE  63           HA       ILE  63  -6.590 -18.191   7.525
  437    HB   ILE  63           HB       ILE  63  -7.170 -17.442   4.626
  438   1HG1  ILE  63          2HG1      ILE  63  -6.093 -19.663   4.699
  439   2HG1  ILE  63          3HG1      ILE  63  -5.076 -18.410   4.017
  440   1HG2  ILE  63          1HG2      ILE  63  -6.325 -15.509   5.629
  441   2HG2  ILE  63          2HG2      ILE  63  -5.188 -16.395   6.668
  442   3HG2  ILE  63          3HG2      ILE  63  -4.897 -16.254   4.921
  443   1HD1  ILE  63          1HD1      ILE  63  -3.836 -18.232   6.159
  444   2HD1  ILE  63          2HD1      ILE  63  -4.838 -19.535   6.840
  445   3HD1  ILE  63          3HD1      ILE  63  -3.763 -19.860   5.471
  446    H    LYS  64           H        LYS  64  -8.744 -18.067   8.778
  447    HA   LYS  64           HA       LYS  64 -10.719 -16.133   8.029
  448   1HB   LYS  64          HB2       LYS  64  -9.802 -16.990  10.812
  449   2HB   LYS  64          HB3       LYS  64 -11.283 -16.097  10.447
  450   1HG   LYS  64          HG2       LYS  64 -10.641 -18.953   9.575
  451   2HG   LYS  64          HG3       LYS  64 -11.761 -18.418  10.831
  452   1HD   LYS  64          HD2       LYS  64 -13.053 -17.155   9.016
  453   2HD   LYS  64          HD3       LYS  64 -12.027 -17.987   7.833
  454   1HE   LYS  64          HE2       LYS  64 -14.047 -19.252   8.012
  455   2HE   LYS  64          HE3       LYS  64 -12.780 -20.191   8.826
  456   1HZ   LYS  64          HZ1       LYS  64 -14.847 -20.102  10.040
  457   2HZ   LYS  64          HZ2       LYS  64 -13.618 -19.450  10.912
  458   3HZ   LYS  64          HZ3       LYS  64 -14.730 -18.466  10.187
  459    H    ASP  65           H        ASP  65  -7.602 -15.930   9.604
  460    HA   ASP  65           HA       ASP  65  -7.680 -12.989  10.006
  461   1HB   ASP  65          HB2       ASP  65  -5.861 -13.445  11.562
  462   2HB   ASP  65          HB3       ASP  65  -7.309 -14.359  11.984
  463    HA   PRO  66           HA       PRO  66  -5.005 -13.917   6.294
  464   1HB   PRO  66          HB2       PRO  66  -5.546 -11.701   4.767
  465   2HB   PRO  66          HB3       PRO  66  -6.590 -13.148   4.822
  466   1HG   PRO  66          HG2       PRO  66  -6.896 -10.604   6.444
  467   2HG   PRO  66          HG3       PRO  66  -8.144 -11.429   5.459
  468   1HD   PRO  66          HD2       PRO  66  -8.013 -11.848   8.112
  469   2HD   PRO  66          HD3       PRO  66  -8.284 -13.231   7.008
  470    H    CYS  67           H        CYS  67  -2.931 -13.641   6.391
  471    HA   CYS  67           HA       CYS  67  -1.616 -11.469   7.762
  472   1HB   CYS  67          HB2       CYS  67  -0.631 -13.708   7.560
  473   2HB   CYS  67          HB3       CYS  67  -0.623 -13.576   5.803
  474    H    ASN  68           H        ASN  68  -2.582  -9.674   6.770
  475    HA   ASN  68           HA       ASN  68  -3.012  -8.861   4.263
  476   1HB   ASN  68          HB2       ASN  68  -3.398  -7.413   6.182
  477   2HB   ASN  68          HB3       ASN  68  -1.654  -7.216   6.430
  478   1HD2  ASN  68          1HD2      ASN  68  -3.481  -5.204   3.319
  479   2HD2  ASN  68          2HD2      ASN  68  -4.288  -6.594   4.024
  480    H    LYS  69           H        LYS  69   0.260  -8.817   5.695
  481    HA   LYS  69           HA       LYS  69   1.756  -7.558   3.780
  482   1HB   LYS  69          HB2       LYS  69   2.596  -8.444   5.924
  483   2HB   LYS  69          HB3       LYS  69   2.502 -10.097   5.287
  484   1HG   LYS  69          HG2       LYS  69   4.183  -9.554   3.562
  485   2HG   LYS  69          HG3       LYS  69   4.210  -7.864   4.106
  486   1HD   LYS  69          HD2       LYS  69   5.100  -8.548   6.293
  487   2HD   LYS  69          HD3       LYS  69   4.900 -10.258   5.872
  488   1HE   LYS  69          HE2       LYS  69   7.250  -9.604   5.644
  489   2HE   LYS  69          HE3       LYS  69   6.578 -10.049   4.069
  490   1HZ   LYS  69          HZ1       LYS  69   7.891  -8.061   3.973
  491   2HZ   LYS  69          HZ2       LYS  69   6.326  -7.725   3.588
  492   3HZ   LYS  69          HZ3       LYS  69   6.919  -7.305   5.069
  493    H    CYS  70           H        CYS  70   0.541 -10.926   3.605
  494    HA   CYS  70           HA       CYS  70   1.350 -11.017   0.710
  495   1HB   CYS  70          HB2       CYS  70   1.655 -13.434   0.971
  496   2HB   CYS  70          HB3       CYS  70   2.803 -12.513   1.931
  497    H    HIS  71           H        HIS  71  -1.086 -10.072   2.103
  498    HA   HIS  71           HA       HIS  71  -3.347 -10.287   2.122
  499   1HB   HIS  71          HB2       HIS  71  -2.818 -11.405  -0.653
  500   2HB   HIS  71          HB3       HIS  71  -4.329 -10.692  -0.084
  501    HD1  HIS  71           HD1      HIS  71  -1.909  -8.360   1.272
  502    HD2  HIS  71           HD2      HIS  71  -3.384  -9.321  -2.558
  503    HE1  HIS  71           HE1      HIS  71  -1.470  -6.344  -0.207
  504    H    GLY  72           H        GLY  72  -2.116 -12.498   3.450
  505   1HA   GLY  72          HA2       GLY  72  -2.708 -14.474   4.341
  506   2HA   GLY  72          HA3       GLY  72  -4.324 -14.275   3.642
  507    H    HIS  73           H        HIS  73  -1.828 -14.304   1.215
  508    HA   HIS  73           HA       HIS  73  -2.680 -16.879   0.201
  509   1HB   HIS  73          HB2       HIS  73  -1.943 -15.003  -1.238
  510   2HB   HIS  73          HB3       HIS  73  -0.325 -15.087  -0.529
  511    HD1  HIS  73           HD1      HIS  73   1.201 -16.061  -2.340
  512    HD2  HIS  73           HD2      HIS  73  -2.546 -17.966  -2.046
  513    HE1  HIS  73           HE1      HIS  73   1.198 -17.960  -4.055
  514    H    GLY  74           H        GLY  74  -0.089 -15.655   2.177
  515   1HA   GLY  74          HA2       GLY  74   1.089 -16.825   3.793
  516   2HA   GLY  74          HA3       GLY  74   0.738 -18.357   3.032
  517    H    ARG  75           H        ARG  75   1.696 -16.998   0.353
  518    HA   ARG  75           HA       ARG  75   4.587 -16.763   0.931
  519   1HB   ARG  75          HB2       ARG  75   5.142 -18.363  -0.827
  520   2HB   ARG  75          HB3       ARG  75   4.167 -19.118   0.430
  521   1HG   ARG  75          HG2       ARG  75   2.273 -18.202  -1.457
  522   2HG   ARG  75          HG3       ARG  75   3.621 -18.765  -2.430
  523   1HD   ARG  75          HD2       ARG  75   2.182 -20.622  -2.163
  524   2HD   ARG  75          HD3       ARG  75   3.478 -20.953  -1.020
  525    HE   ARG  75           HE       ARG  75   0.698 -19.957  -0.485
  526   1HH1  ARG  75          1HH1      ARG  75  -0.131 -20.024   1.561
  527   2HH1  ARG  75          2HH1      ARG  75   0.790 -20.733   2.883
  528   1HH2  ARG  75          1HH2      ARG  75   3.709 -21.263   1.010
  529   2HH2  ARG  75          2HH2      ARG  75   2.918 -21.299   2.586
  530    H    VAL  76           H        VAL  76   5.760 -15.676  -0.653
  531    HA   VAL  76           HA       VAL  76   4.135 -13.938  -2.474
  532    HB   VAL  76           HB       VAL  76   5.904 -12.275  -2.196
  533   1HG1  VAL  76          1HG1      VAL  76   5.345 -11.553   0.063
  534   2HG1  VAL  76          2HG1      VAL  76   3.908 -12.265  -0.692
  535   3HG1  VAL  76          3HG1      VAL  76   4.835 -13.189   0.514
  536   1HG2  VAL  76          1HG2      VAL  76   7.619 -12.452  -0.465
  537   2HG2  VAL  76          2HG2      VAL  76   7.104 -14.091  -0.047
  538   3HG2  VAL  76          3HG2      VAL  76   7.829 -13.754  -1.640
  539    H    GLU  77           H        GLU  77   5.170 -13.477  -4.575
  540    HA   GLU  77           HA       GLU  77   6.386 -15.862  -5.623
  541   1HB   GLU  77          HB2       GLU  77   4.844 -14.581  -6.930
  542   2HB   GLU  77          HB3       GLU  77   5.909 -13.149  -6.890
  543   1HG   GLU  77          HG2       GLU  77   7.616 -14.404  -8.195
  544   2HG   GLU  77          HG3       GLU  77   6.566 -15.835  -8.186
  545    H    ARG  78           H        ARG  78   8.458 -16.263  -6.326
  546    HA   ARG  78           HA       ARG  78  10.581 -15.022  -4.823
  547   1HB   ARG  78          HB2       ARG  78  10.407 -17.455  -5.536
  548   2HB   ARG  78          HB3       ARG  78  10.899 -16.937  -7.156
  549   1HG   ARG  78          HG2       ARG  78  12.947 -15.869  -6.021
  550   2HG   ARG  78          HG3       ARG  78  12.458 -16.703  -4.559
  551   1HD   ARG  78          HD2       ARG  78  13.536 -17.774  -7.158
  552   2HD   ARG  78          HD3       ARG  78  14.080 -18.139  -5.522
  553    HE   ARG  78           HE       ARG  78  12.394 -19.685  -7.115
  554   1HH1  ARG  78          1HH1      ARG  78  11.146 -21.442  -6.345
  555   2HH1  ARG  78          2HH1      ARG  78  10.728 -21.506  -4.646
  556   1HH2  ARG  78          1HH2      ARG  78  12.348 -18.523  -3.778
  557   2HH2  ARG  78          2HH2      ARG  78  11.086 -19.649  -3.306
  558    H    SER  79           H        SER  79  10.000 -12.885  -5.590
  559    HA   SER  79           HA       SER  79  10.365 -11.949  -8.238
  560   1HB   SER  79          HB2       SER  79  10.534 -10.427  -5.598
  561   2HB   SER  79          HB3       SER  79  10.174  -9.748  -7.194
  562    HG   SER  79           HG       SER  79   8.593 -11.714  -5.817
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1   8.808 -26.295  -2.238
    2   1HA   GLY   1          HA2       GLY   1   9.533 -27.275   0.043
    3   2HA   GLY   1          HA3       GLY   1   8.082 -26.260   0.049
    4    H    VAL   2           H        VAL   2   9.040 -29.604  -0.644
    5    HA   VAL   2           HA       VAL   2   6.627 -30.948  -0.316
    6    HB   VAL   2           HB       VAL   2   8.055 -32.977  -0.006
    7   1HG1  VAL   2          1HG1      VAL   2   7.341 -32.163  -2.214
    8   2HG1  VAL   2          2HG1      VAL   2   8.776 -31.120  -2.313
    9   3HG1  VAL   2          3HG1      VAL   2   8.956 -32.884  -2.283
   10   1HG2  VAL   2          1HG2      VAL   2  10.419 -31.071  -0.389
   11   2HG2  VAL   2          2HG2      VAL   2  10.036 -31.889   1.136
   12   3HG2  VAL   2          3HG2      VAL   2  10.455 -32.836  -0.294
   13    H    THR   3           H        THR   3   5.795 -29.716   1.511
   14    HA   THR   3           HA       THR   3   5.964 -31.273   4.035
   15    HB   THR   3           HB       THR   3   5.958 -29.044   5.251
   16    HG1  THR   3           HG1      THR   3   6.692 -28.088   2.655
   17   1HG2  THR   3          1HG2      THR   3   8.488 -29.472   3.603
   18   2HG2  THR   3          2HG2      THR   3   8.340 -28.659   5.169
   19   3HG2  THR   3          3HG2      THR   3   8.046 -30.406   5.049
   20    H    LYS   4           H        LYS   4   4.553 -28.214   3.146
   21    HA   LYS   4           HA       LYS   4   1.798 -29.245   2.756
   22   1HB   LYS   4          HB2       LYS   4   2.608 -27.061   4.742
   23   2HB   LYS   4          HB3       LYS   4   0.954 -27.374   4.234
   24   1HG   LYS   4          HG2       LYS   4   2.773 -29.333   5.714
   25   2HG   LYS   4          HG3       LYS   4   1.543 -28.338   6.463
   26   1HD   LYS   4          HD2       LYS   4   1.049 -30.565   4.419
   27   2HD   LYS   4          HD3       LYS   4   0.793 -30.665   6.152
   28   1HE   LYS   4          HE2       LYS   4  -0.755 -28.858   4.232
   29   2HE   LYS   4          HE3       LYS   4  -1.338 -30.330   5.006
   30   1HZ   LYS   4          HZ1       LYS   4  -1.081 -29.283   7.127
   31   2HZ   LYS   4          HZ2       LYS   4  -0.524 -27.897   6.424
   32   3HZ   LYS   4          HZ3       LYS   4  -2.068 -28.385   6.157
   33    H    GLU   5           H        GLU   5   3.853 -26.312   3.019
   34    HA   GLU   5           HA       GLU   5   2.580 -25.000   0.745
   35   1HB   GLU   5          HB2       GLU   5   5.125 -24.393   2.324
   36   2HB   GLU   5          HB3       GLU   5   4.412 -23.339   1.099
   37   1HG   GLU   5          HG2       GLU   5   2.990 -24.171   3.674
   38   2HG   GLU   5          HG3       GLU   5   3.857 -22.656   3.430
   39    H    ILE   6           H        ILE   6   2.869 -26.986  -0.568
   40    HA   ILE   6           HA       ILE   6   5.445 -27.802  -1.567
   41    HB   ILE   6           HB       ILE   6   4.078 -28.974  -3.309
   42   1HG1  ILE   6          2HG1      ILE   6   1.619 -28.127  -1.714
   43   2HG1  ILE   6          3HG1      ILE   6   2.114 -27.261  -3.171
   44   1HG2  ILE   6          1HG2      ILE   6   4.759 -29.987  -1.183
   45   2HG2  ILE   6          2HG2      ILE   6   3.270 -29.418  -0.404
   46   3HG2  ILE   6          3HG2      ILE   6   3.199 -30.616  -1.712
   47   1HD1  ILE   6          1HD1      ILE   6   0.440 -28.907  -3.740
   48   2HD1  ILE   6          2HD1      ILE   6   1.987 -29.372  -4.473
   49   3HD1  ILE   6          3HD1      ILE   6   1.394 -30.214  -3.023
   50    H    ARG   7           H        ARG   7   6.047 -25.430  -1.792
   51    HA   ARG   7           HA       ARG   7   5.198 -24.001  -4.162
   52   1HB   ARG   7          HB2       ARG   7   7.495 -23.662  -2.236
   53   2HB   ARG   7          HB3       ARG   7   7.048 -22.483  -3.483
   54   1HG   ARG   7          HG2       ARG   7   4.878 -22.095  -2.479
   55   2HG   ARG   7          HG3       ARG   7   5.130 -23.363  -1.277
   56   1HD   ARG   7          HD2       ARG   7   6.748 -20.808  -1.519
   57   2HD   ARG   7          HD3       ARG   7   5.511 -21.146  -0.319
   58    HE   ARG   7           HE       ARG   7   6.861 -22.671   0.793
   59   1HH1  ARG   7          1HH1      ARG   7   8.880 -23.226   1.602
   60   2HH1  ARG   7          2HH1      ARG   7  10.330 -22.926   0.684
   61   1HH2  ARG   7          1HH2      ARG   7  10.193 -21.871  -1.401
   62   2HH2  ARG   7          2HH2      ARG   7   8.648 -21.429  -2.053
   63    H    ILE   8           H        ILE   8   5.752 -26.265  -5.337
   64    HA   ILE   8           HA       ILE   8   8.460 -26.521  -6.122
   65    HB   ILE   8           HB       ILE   8   6.232 -27.540  -7.875
   66   1HG1  ILE   8          2HG1      ILE   8   5.688 -28.348  -5.661
   67   2HG1  ILE   8          3HG1      ILE   8   6.350 -29.642  -6.645
   68   1HG2  ILE   8          1HG2      ILE   8   7.900 -29.242  -8.444
   69   2HG2  ILE   8          2HG2      ILE   8   8.418 -27.609  -8.880
   70   3HG2  ILE   8          3HG2      ILE   8   9.108 -28.397  -7.452
   71   1HD1  ILE   8          1HD1      ILE   8   8.536 -29.439  -5.479
   72   2HD1  ILE   8          2HD1      ILE   8   7.876 -28.125  -4.478
   73   3HD1  ILE   8          3HD1      ILE   8   7.205 -29.755  -4.358
   74    HA   PRO   9           HA       PRO   9   7.395 -23.620  -9.792
   75   1HB   PRO   9          HB2       PRO   9   5.045 -22.132  -8.685
   76   2HB   PRO   9          HB3       PRO   9   5.275 -22.772 -10.335
   77   1HG   PRO   9          HG2       PRO   9   3.536 -23.974  -8.592
   78   2HG   PRO   9          HG3       PRO   9   4.595 -24.966  -9.646
   79   1HD   PRO   9          HD2       PRO   9   5.145 -24.159  -6.763
   80   2HD   PRO   9          HD3       PRO   9   5.186 -25.788  -7.466
   81    H    THR  10           H        THR  10   7.517 -21.108  -9.877
   82    HA   THR  10           HA       THR  10   9.414 -20.100  -8.177
   83    HB   THR  10           HB       THR  10   7.453 -18.546  -9.918
   84    HG1  THR  10           HG1      THR  10   8.735 -19.292 -11.661
   85   1HG2  THR  10          1HG2      THR  10   9.175 -17.108  -9.010
   86   2HG2  THR  10          2HG2      THR  10  10.452 -18.282  -9.429
   87   3HG2  THR  10          3HG2      THR  10   9.561 -17.417 -10.699
   88    H    LEU  11           H        LEU  11   7.895 -20.704  -6.052
   89    HA   LEU  11           HA       LEU  11   6.740 -18.110  -5.112
   90   1HB   LEU  11          HB2       LEU  11   5.653 -20.880  -4.609
   91   2HB   LEU  11          HB3       LEU  11   5.004 -19.382  -3.927
   92    HG   LEU  11           HG       LEU  11   4.996 -20.185  -6.882
   93   1HD1  LEU  11          1HD1      LEU  11   2.605 -20.442  -6.583
   94   2HD1  LEU  11          2HD1      LEU  11   3.444 -21.468  -5.399
   95   3HD1  LEU  11          3HD1      LEU  11   2.721 -19.916  -4.895
   96   1HD2  LEU  11          1HD2      LEU  11   4.974 -17.784  -6.892
   97   2HD2  LEU  11          2HD2      LEU  11   3.298 -18.264  -7.036
   98   3HD2  LEU  11          3HD2      LEU  11   3.908 -17.708  -5.465
   99    H    GLU  12           H        GLU  12   7.068 -17.610  -2.932
  100    HA   GLU  12           HA       GLU  12   8.869 -19.386  -1.344
  101   1HB   GLU  12          HB2       GLU  12   8.921 -16.369  -1.646
  102   2HB   GLU  12          HB3       GLU  12   9.720 -17.233  -0.323
  103   1HG   GLU  12          HG2       GLU  12  10.248 -17.748  -3.266
  104   2HG   GLU  12          HG3       GLU  12  11.273 -16.747  -2.222
  105    H    GLU  13           H        GLU  13   8.433 -19.616   0.804
  106    HA   GLU  13           HA       GLU  13   5.707 -19.384   1.559
  107   1HB   GLU  13          HB2       GLU  13   7.337 -21.075   2.433
  108   2HB   GLU  13          HB3       GLU  13   8.133 -19.791   3.363
  109   1HG   GLU  13          HG2       GLU  13   6.007 -19.384   4.597
  110   2HG   GLU  13          HG3       GLU  13   5.204 -20.618   3.612
  111    H    CYS  14           H        CYS  14   4.617 -17.844   2.726
  112    HA   CYS  14           HA       CYS  14   5.873 -15.218   3.071
  113   1HB   CYS  14          HB2       CYS  14   3.540 -15.503   2.267
  114   2HB   CYS  14          HB3       CYS  14   3.132 -16.210   3.824
  115    H    ASP  15           H        ASP  15   7.488 -15.732   4.541
  116    HA   ASP  15           HA       ASP  15   7.453 -17.081   6.937
  117   1HB   ASP  15          HB2       ASP  15   9.349 -15.781   7.599
  118   2HB   ASP  15          HB3       ASP  15   9.453 -16.018   5.852
  119    H    VAL  16           H        VAL  16   6.281 -13.813   6.317
  120    HA   VAL  16           HA       VAL  16   5.790 -12.807   8.849
  121    HB   VAL  16           HB       VAL  16   4.043 -12.574   6.362
  122   1HG1  VAL  16          1HG1      VAL  16   3.330 -10.402   7.351
  123   2HG1  VAL  16          2HG1      VAL  16   2.767 -11.810   8.248
  124   3HG1  VAL  16          3HG1      VAL  16   4.146 -10.861   8.863
  125   1HG2  VAL  16          1HG2      VAL  16   6.305 -11.806   5.856
  126   2HG2  VAL  16          2HG2      VAL  16   5.261 -10.400   6.061
  127   3HG2  VAL  16          3HG2      VAL  16   6.362 -10.871   7.367
  128    H    CYS  17           H        CYS  17   3.756 -15.180   7.028
  129    HA   CYS  17           HA       CYS  17   2.082 -15.508   9.493
  130   1HB   CYS  17          HB2       CYS  17   0.449 -16.560   7.983
  131   2HB   CYS  17          HB3       CYS  17   0.742 -14.852   7.661
  132    H    HIS  18           H        HIS  18   4.823 -16.707   8.544
  133    HA   HIS  18           HA       HIS  18   5.910 -18.666   8.726
  134   1HB   HIS  18          HB2       HIS  18   3.754 -19.604  10.605
  135   2HB   HIS  18          HB3       HIS  18   5.507 -19.772  10.752
  136    HD1  HIS  18           HD1      HIS  18   6.022 -16.482  10.469
  137    HD2  HIS  18           HD2      HIS  18   3.115 -18.432  12.806
  138    HE1  HIS  18           HE1      HIS  18   5.299 -14.832  12.265
  139    H    GLY  19           H        GLY  19   3.990 -18.512   6.564
  140   1HA   GLY  19          HA2       GLY  19   3.167 -19.875   4.924
  141   2HA   GLY  19          HA3       GLY  19   3.880 -21.264   5.751
  142    H    SER  20           H        SER  20   1.752 -19.714   7.940
  143    HA   SER  20           HA       SER  20  -0.193 -21.896   7.608
  144   1HB   SER  20          HB2       SER  20  -1.145 -21.114   9.637
  145   2HB   SER  20          HB3       SER  20   0.609 -21.099   9.861
  146    HG   SER  20           HG       SER  20   0.574 -18.857   9.611
  147    H    GLY  21           H        GLY  21   0.084 -18.539   6.797
  148   1HA   GLY  21          HA2       GLY  21  -1.325 -17.344   5.305
  149   2HA   GLY  21          HA3       GLY  21  -2.645 -18.470   5.623
  150    H    ALA  22           H        ALA  22  -1.522 -18.014   8.700
  151    HA   ALA  22           HA       ALA  22  -3.440 -15.811   9.208
  152   1HB   ALA  22          HB1       ALA  22  -2.113 -17.784  11.109
  153   2HB   ALA  22          HB2       ALA  22  -3.422 -16.649  11.499
  154   3HB   ALA  22          HB3       ALA  22  -3.722 -18.008  10.400
  155    H    LYS  23           H        LYS  23  -2.892 -13.921  10.178
  156    HA   LYS  23           HA       LYS  23  -0.356 -12.871   9.862
  157   1HB   LYS  23          HB2       LYS  23  -1.155 -11.051  11.391
  158   2HB   LYS  23          HB3       LYS  23  -2.260 -11.444  10.085
  159   1HG   LYS  23          HG2       LYS  23  -3.804 -12.498  11.502
  160   2HG   LYS  23          HG3       LYS  23  -2.624 -12.766  12.773
  161   1HD   LYS  23          HD2       LYS  23  -3.844 -10.089  11.982
  162   2HD   LYS  23          HD3       LYS  23  -4.220 -11.054  13.411
  163   1HE   LYS  23          HE2       LYS  23  -1.684  -9.475  12.872
  164   2HE   LYS  23          HE3       LYS  23  -2.831  -9.334  14.201
  165   1HZ   LYS  23          HZ1       LYS  23  -0.958 -11.542  13.739
  166   2HZ   LYS  23          HZ2       LYS  23  -0.918 -10.442  14.961
  167   3HZ   LYS  23          HZ3       LYS  23  -2.121 -11.572  14.891
  168    HA   PRO  24           HA       PRO  24   2.725 -14.020  12.611
  169   1HB   PRO  24          HB2       PRO  24   2.241 -11.389  14.035
  170   2HB   PRO  24          HB3       PRO  24   3.803 -12.250  13.833
  171   1HG   PRO  24          HG2       PRO  24   3.084 -10.365  12.019
  172   2HG   PRO  24          HG3       PRO  24   3.763 -11.917  11.462
  173   1HD   PRO  24          HD2       PRO  24   0.951 -10.964  11.390
  174   2HD   PRO  24          HD3       PRO  24   1.770 -12.102  10.288
  175    H    GLY  25           H        GLY  25   2.652 -15.600  14.007
  176   1HA   GLY  25          HA2       GLY  25   2.056 -17.005  15.660
  177   2HA   GLY  25          HA3       GLY  25   2.103 -15.568  16.686
  178    H    THR  26           H        THR  26  -0.432 -15.556  14.239
  179    HA   THR  26           HA       THR  26  -2.428 -15.884  16.414
  180    HB   THR  26           HB       THR  26  -2.737 -14.980  13.540
  181    HG1  THR  26           HG1      THR  26  -1.301 -13.709  14.967
  182   1HG2  THR  26          1HG2      THR  26  -4.533 -14.641  15.980
  183   2HG2  THR  26          2HG2      THR  26  -4.799 -13.915  14.385
  184   3HG2  THR  26          3HG2      THR  26  -4.869 -15.674  14.567
  185    H    GLN  27           H        GLN  27  -3.302 -17.794  16.757
  186    HA   GLN  27           HA       GLN  27  -2.772 -20.055  15.254
  187   1HB   GLN  27          HB2       GLN  27  -4.266 -21.238  16.628
  188   2HB   GLN  27          HB3       GLN  27  -3.388 -20.062  17.601
  189   1HG   GLN  27          HG2       GLN  27  -6.303 -19.872  16.705
  190   2HG   GLN  27          HG3       GLN  27  -5.700 -20.277  18.305
  191   1HE2  GLN  27          1HE2      GLN  27  -5.851 -16.343  17.147
  192   2HE2  GLN  27          2HE2      GLN  27  -6.005 -17.641  15.955
  193    HA   PRO  28           HA       PRO  28  -5.789 -19.424  11.912
  194   1HB   PRO  28          HB2       PRO  28  -5.332 -22.292  11.247
  195   2HB   PRO  28          HB3       PRO  28  -5.124 -20.839  10.215
  196   1HG   PRO  28          HG2       PRO  28  -2.968 -22.212  11.176
  197   2HG   PRO  28          HG3       PRO  28  -2.977 -20.421  11.117
  198   1HD   PRO  28          HD2       PRO  28  -3.640 -22.188  13.495
  199   2HD   PRO  28          HD3       PRO  28  -2.487 -20.819  13.351
  200    H    GLN  29           H        GLN  29  -7.630 -21.010  10.930
  201    HA   GLN  29           HA       GLN  29  -9.196 -22.252  13.162
  202   1HB   GLN  29          HB2       GLN  29 -10.080 -20.431  10.869
  203   2HB   GLN  29          HB3       GLN  29 -11.170 -21.480  11.779
  204   1HG   GLN  29          HG2       GLN  29 -11.407 -19.365  12.743
  205   2HG   GLN  29          HG3       GLN  29 -10.478 -20.311  13.902
  206   1HE2  GLN  29          1HE2      GLN  29  -7.628 -18.161  13.790
  207   2HE2  GLN  29          2HE2      GLN  29  -8.286 -19.670  14.346
  208    H    THR  30           H        THR  30  -9.416 -24.440  12.745
  209    HA   THR  30           HA       THR  30  -8.491 -25.809  10.597
  210    HB   THR  30           HB       THR  30 -11.021 -26.573  12.121
  211    HG1  THR  30           HG1      THR  30  -9.564 -27.123  13.831
  212   1HG2  THR  30          1HG2      THR  30  -8.527 -28.139  11.316
  213   2HG2  THR  30          2HG2      THR  30  -9.942 -28.798  12.166
  214   3HG2  THR  30          3HG2      THR  30 -10.111 -28.210  10.503
  215    H    CYS  31           H        CYS  31  -9.142 -26.017   8.408
  216    HA   CYS  31           HA       CYS  31 -11.514 -24.688   7.495
  217   1HB   CYS  31          HB2       CYS  31  -9.517 -25.081   6.063
  218   2HB   CYS  31          HB3       CYS  31  -9.854 -26.810   6.117
  219    HA   PRO  32           HA       PRO  32 -14.014 -28.247   8.802
  220   1HB   PRO  32          HB2       PRO  32 -16.519 -27.365   8.210
  221   2HB   PRO  32          HB3       PRO  32 -15.544 -26.727   9.570
  222   1HG   PRO  32          HG2       PRO  32 -15.851 -25.504   6.813
  223   2HG   PRO  32          HG3       PRO  32 -16.040 -24.700   8.395
  224   1HD   PRO  32          HD2       PRO  32 -13.711 -24.595   6.986
  225   2HD   PRO  32          HD3       PRO  32 -13.714 -24.682   8.772
  226    H    THR  33           H        THR  33 -14.400 -26.689   5.578
  227    HA   THR  33           HA       THR  33 -15.785 -28.514   4.163
  228    HB   THR  33           HB       THR  33 -13.317 -27.200   3.009
  229    HG1  THR  33           HG1      THR  33 -15.661 -25.808   3.777
  230   1HG2  THR  33          1HG2      THR  33 -14.855 -26.605   1.191
  231   2HG2  THR  33          2HG2      THR  33 -14.909 -28.355   1.479
  232   3HG2  THR  33          3HG2      THR  33 -16.222 -27.319   2.070
  233    H    CYS  34           H        CYS  34 -12.326 -28.760   5.002
  234    HA   CYS  34           HA       CYS  34 -12.259 -31.540   3.855
  235   1HB   CYS  34          HB2       CYS  34  -9.833 -31.185   3.626
  236   2HB   CYS  34          HB3       CYS  34 -10.781 -30.213   2.535
  237    H    HIS  35           H        HIS  35 -13.035 -30.420   6.606
  238    HA   HIS  35           HA       HIS  35 -12.623 -30.817   8.813
  239   1HB   HIS  35          HB2       HIS  35 -11.774 -33.530   7.733
  240   2HB   HIS  35          HB3       HIS  35 -12.365 -33.179   9.358
  241    HD1  HIS  35           HD1      HIS  35 -14.745 -31.285   7.443
  242    HD2  HIS  35           HD2      HIS  35 -13.905 -35.383   7.956
  243    HE1  HIS  35           HE1      HIS  35 -16.854 -32.550   6.807
  244    H    GLY  36           H        GLY  36 -10.516 -29.386   7.789
  245   1HA   GLY  36          HA2       GLY  36  -8.473 -28.658   8.502
  246   2HA   GLY  36          HA3       GLY  36  -8.454 -29.945   9.708
  247    H    SER  37           H        SER  37  -8.765 -31.649   6.826
  248    HA   SER  37           HA       SER  37  -6.037 -32.536   7.031
  249   1HB   SER  37          HB2       SER  37  -6.549 -33.918   5.088
  250   2HB   SER  37          HB3       SER  37  -7.854 -34.018   6.281
  251    HG   SER  37           HG       SER  37  -9.148 -32.844   4.981
  252    H    GLY  38           H        GLY  38  -7.740 -30.939   4.445
  253   1HA   GLY  38          HA2       GLY  38  -6.663 -28.878   3.357
  254   2HA   GLY  38          HA3       GLY  38  -5.211 -29.877   3.214
  255    H    GLN  39           H        GLN  39  -7.940 -31.935   2.856
  256    HA   GLN  39           HA       GLN  39  -8.156 -31.425  -0.040
  257   1HB   GLN  39          HB2       GLN  39  -7.848 -33.837  -0.511
  258   2HB   GLN  39          HB3       GLN  39  -6.410 -32.990   0.048
  259   1HG   GLN  39          HG2       GLN  39  -6.098 -34.698   1.426
  260   2HG   GLN  39          HG3       GLN  39  -7.345 -34.012   2.451
  261   1HE2  GLN  39          1HE2      GLN  39  -9.794 -36.513   1.497
  262   2HE2  GLN  39          2HE2      GLN  39  -9.663 -34.818   1.989
  263    H    VAL  40           H        VAL  40 -10.108 -31.647  -0.820
  264    HA   VAL  40           HA       VAL  40 -12.349 -32.312   1.010
  265    HB   VAL  40           HB       VAL  40 -13.733 -31.528  -0.942
  266   1HG1  VAL  40          1HG1      VAL  40 -11.705 -29.519   0.070
  267   2HG1  VAL  40          2HG1      VAL  40 -13.284 -29.157  -0.663
  268   3HG1  VAL  40          3HG1      VAL  40 -13.200 -30.012   0.898
  269   1HG2  VAL  40          1HG2      VAL  40 -12.756 -30.329  -2.782
  270   2HG2  VAL  40          2HG2      VAL  40 -11.118 -30.511  -2.145
  271   3HG2  VAL  40          3HG2      VAL  40 -12.009 -31.936  -2.731
  272    H    GLN  41           H        GLN  41 -14.012 -33.784   0.270
  273    HA   GLN  41           HA       GLN  41 -13.137 -35.825  -1.697
  274   1HB   GLN  41          HB2       GLN  41 -12.900 -36.639   0.633
  275   2HB   GLN  41          HB3       GLN  41 -14.632 -36.372   0.880
  276   1HG   GLN  41          HG2       GLN  41 -15.146 -37.978  -0.953
  277   2HG   GLN  41          HG3       GLN  41 -13.443 -38.251  -1.254
  278   1HE2  GLN  41          1HE2      GLN  41 -13.014 -40.001   1.969
  279   2HE2  GLN  41          2HE2      GLN  41 -12.164 -38.780   1.043
  280    H    MET  42           H        MET  42 -14.417 -35.619  -3.397
  281    HA   MET  42           HA       MET  42 -17.069 -34.378  -3.259
  282   1HB   MET  42          HB2       MET  42 -15.535 -35.751  -5.502
  283   2HB   MET  42          HB3       MET  42 -17.060 -34.890  -5.728
  284   1HG   MET  42          HG2       MET  42 -14.738 -33.394  -4.500
  285   2HG   MET  42          HG3       MET  42 -14.690 -33.804  -6.208
  286   1HE   MET  42          HE1       MET  42 -17.836 -30.915  -4.467
  287   2HE   MET  42          HE2       MET  42 -16.692 -31.841  -3.468
  288   3HE   MET  42          HE3       MET  42 -18.056 -32.662  -4.283
  289    H    ARG  43           H        ARG  43 -17.708 -35.983  -1.607
  290    HA   ARG  43           HA       ARG  43 -18.036 -38.756  -2.203
  291   1HB   ARG  43          HB2       ARG  43 -17.846 -37.702   0.048
  292   2HB   ARG  43          HB3       ARG  43 -19.520 -37.145  -0.115
  293   1HG   ARG  43          HG2       ARG  43 -20.267 -39.518  -0.324
  294   2HG   ARG  43          HG3       ARG  43 -18.577 -40.057  -0.256
  295   1HD   ARG  43          HD2       ARG  43 -18.344 -39.151   2.005
  296   2HD   ARG  43          HD3       ARG  43 -20.015 -38.527   1.946
  297    HE   ARG  43           HE       ARG  43 -20.075 -41.299   1.367
  298   1HH1  ARG  43          1HH1      ARG  43 -19.359 -39.159   4.076
  299   2HH1  ARG  43          2HH1      ARG  43 -19.845 -40.298   5.303
  300   1HH2  ARG  43          1HH2      ARG  43 -20.714 -42.810   2.945
  301   2HH2  ARG  43          2HH2      ARG  43 -20.630 -42.422   4.642
  302    H    GLN  44           H        GLN  44 -18.949 -38.160  -4.458
  303    HA   GLN  44           HA       GLN  44 -21.796 -37.554  -4.599
  304   1HB   GLN  44          HB2       GLN  44 -21.501 -37.927  -6.990
  305   2HB   GLN  44          HB3       GLN  44 -20.330 -36.786  -6.343
  306   1HG   GLN  44          HG2       GLN  44 -18.550 -38.038  -6.938
  307   2HG   GLN  44          HG3       GLN  44 -19.238 -39.525  -6.290
  308   1HE2  GLN  44          1HE2      GLN  44 -21.006 -40.348  -9.373
  309   2HE2  GLN  44          2HE2      GLN  44 -21.299 -40.259  -7.630
  310    H    GLY  45           H        GLY  45 -21.926 -39.424  -2.876
  311   1HA   GLY  45          HA2       GLY  45 -23.065 -41.346  -2.391
  312   2HA   GLY  45          HA3       GLY  45 -23.433 -41.551  -4.107
  313    H    PHE  46           H        PHE  46 -21.346 -42.182  -5.428
  314    HA   PHE  46           HA       PHE  46 -20.129 -44.539  -4.021
  315   1HB   PHE  46          HB2       PHE  46 -21.740 -45.046  -5.804
  316   2HB   PHE  46          HB3       PHE  46 -20.738 -44.198  -6.972
  317    HD1  PHE  46           HD1      PHE  46 -20.821 -47.075  -4.575
  318    HD2  PHE  46           HD2      PHE  46 -18.816 -45.297  -7.955
  319    HE1  PHE  46           HE1      PHE  46 -19.491 -49.144  -4.883
  320    HE2  PHE  46           HE2      PHE  46 -17.489 -47.363  -8.254
  321    HZ   PHE  46           HZ       PHE  46 -17.823 -49.294  -6.722
  322    H    PHE  47           H        PHE  47 -19.251 -42.516  -6.902
  323    HA   PHE  47           HA       PHE  47 -16.454 -43.116  -6.521
  324   1HB   PHE  47          HB2       PHE  47 -17.743 -41.039  -8.317
  325   2HB   PHE  47          HB3       PHE  47 -16.092 -41.612  -8.402
  326    HD1  PHE  47           HD1      PHE  47 -19.475 -42.192  -9.518
  327    HD2  PHE  47           HD2      PHE  47 -15.654 -44.099  -8.901
  328    HE1  PHE  47           HE1      PHE  47 -20.147 -44.034 -11.031
  329    HE2  PHE  47           HE2      PHE  47 -16.317 -45.913 -10.456
  330    HZ   PHE  47           HZ       PHE  47 -18.572 -45.898 -11.504
  331    H    ALA  48           H        ALA  48 -16.583 -42.365  -4.198
  332    HA   ALA  48           HA       ALA  48 -16.599 -39.544  -3.634
  333   1HB   ALA  48          HB1       ALA  48 -15.643 -41.879  -1.929
  334   2HB   ALA  48          HB2       ALA  48 -16.075 -40.250  -1.366
  335   3HB   ALA  48          HB3       ALA  48 -17.322 -41.310  -2.043
  336    H    VAL  49           H        VAL  49 -14.979 -39.227  -5.485
  337    HA   VAL  49           HA       VAL  49 -12.189 -39.757  -4.848
  338    HB   VAL  49           HB       VAL  49 -11.694 -38.419  -6.870
  339   1HG1  VAL  49          1HG1      VAL  49 -12.113 -40.819  -6.836
  340   2HG1  VAL  49          2HG1      VAL  49 -13.847 -40.551  -7.099
  341   3HG1  VAL  49          3HG1      VAL  49 -12.675 -40.102  -8.369
  342   1HG2  VAL  49          1HG2      VAL  49 -14.726 -38.120  -7.165
  343   2HG2  VAL  49          2HG2      VAL  49 -13.591 -36.805  -6.795
  344   3HG2  VAL  49          3HG2      VAL  49 -13.487 -37.662  -8.341
  345    H    GLN  50           H        GLN  50 -10.512 -38.100  -4.757
  346    HA   GLN  50           HA       GLN  50 -11.382 -35.889  -2.988
  347   1HB   GLN  50          HB2       GLN  50  -8.961 -37.721  -2.860
  348   2HB   GLN  50          HB3       GLN  50  -9.213 -36.306  -1.799
  349   1HG   GLN  50          HG2       GLN  50 -11.427 -37.271  -1.149
  350   2HG   GLN  50          HG3       GLN  50 -11.023 -38.773  -2.002
  351   1HE2  GLN  50          1HE2      GLN  50  -8.338 -39.442   0.477
  352   2HE2  GLN  50          2HE2      GLN  50  -8.446 -39.331  -1.269
  353    H    GLN  51           H        GLN  51 -10.181 -33.981  -2.887
  354    HA   GLN  51           HA       GLN  51  -8.287 -33.410  -5.103
  355   1HB   GLN  51          HB2       GLN  51 -10.625 -31.579  -4.536
  356   2HB   GLN  51          HB3       GLN  51  -9.541 -31.540  -5.913
  357   1HG   GLN  51          HG2       GLN  51 -10.631 -33.454  -6.927
  358   2HG   GLN  51          HG3       GLN  51 -11.602 -33.762  -5.477
  359   1HE2  GLN  51          1HE2      GLN  51 -13.737 -30.868  -5.868
  360   2HE2  GLN  51          2HE2      GLN  51 -12.774 -31.648  -4.636
  361    H    THR  52           H        THR  52  -7.041 -31.404  -4.608
  362    HA   THR  52           HA       THR  52  -6.582 -30.882  -1.848
  363    HB   THR  52           HB       THR  52  -6.080 -29.086  -4.271
  364    HG1  THR  52           HG1      THR  52  -4.511 -31.175  -3.165
  365   1HG2  THR  52          1HG2      THR  52  -5.686 -27.914  -2.143
  366   2HG2  THR  52          2HG2      THR  52  -4.705 -29.278  -1.555
  367   3HG2  THR  52          3HG2      THR  52  -4.142 -28.292  -2.922
  368    H    CYS  53           H        CYS  53  -7.503 -29.262  -0.470
  369    HA   CYS  53           HA       CYS  53 -10.082 -28.235  -1.285
  370   1HB   CYS  53          HB2       CYS  53  -9.549 -28.938   1.025
  371   2HB   CYS  53          HB3       CYS  53  -8.452 -27.566   1.167
  372    HA   PRO  54           HA       PRO  54  -7.954 -24.622  -3.059
  373   1HB   PRO  54          HB2       PRO  54 -10.071 -23.323  -4.180
  374   2HB   PRO  54          HB3       PRO  54  -9.388 -24.826  -4.861
  375   1HG   PRO  54          HG2       PRO  54 -11.818 -24.557  -3.072
  376   2HG   PRO  54          HG3       PRO  54 -11.668 -25.479  -4.591
  377   1HD   PRO  54          HD2       PRO  54 -11.390 -26.657  -2.149
  378   2HD   PRO  54          HD3       PRO  54 -10.426 -27.179  -3.560
  379    H    HIS  55           H        HIS  55 -10.906 -24.400  -1.067
  380    HA   HIS  55           HA       HIS  55 -10.973 -21.744  -0.443
  381   1HB   HIS  55          HB2       HIS  55 -12.616 -23.552   0.167
  382   2HB   HIS  55          HB3       HIS  55 -11.576 -23.971   1.537
  383    HD1  HIS  55           HD1      HIS  55 -11.240 -20.444   1.661
  384    HD2  HIS  55           HD2      HIS  55 -14.390 -23.149   2.364
  385    HE1  HIS  55           HE1      HIS  55 -12.962 -19.215   3.106
  386    H    CYS  56           H        CYS  56  -8.857 -24.161   1.059
  387    HA   CYS  56           HA       CYS  56  -7.437 -22.001   2.599
  388   1HB   CYS  56          HB2       CYS  56  -6.722 -23.797   4.121
  389   2HB   CYS  56          HB3       CYS  56  -8.452 -23.481   4.172
  390    H    GLN  57           H        GLN  57  -7.114 -23.043  -0.273
  391    HA   GLN  57           HA       GLN  57  -5.492 -23.767  -1.673
  392   1HB   GLN  57          HB2       GLN  57  -3.799 -21.980   0.113
  393   2HB   GLN  57          HB3       GLN  57  -3.515 -22.380  -1.579
  394   1HG   GLN  57          HG2       GLN  57  -4.409 -20.202  -1.576
  395   2HG   GLN  57          HG3       GLN  57  -5.708 -21.248  -2.154
  396   1HE2  GLN  57          1HE2      GLN  57  -7.930 -20.190   0.421
  397   2HE2  GLN  57          2HE2      GLN  57  -7.699 -21.002  -1.115
  398    H    GLY  58           H        GLY  58  -5.898 -25.842  -0.090
  399   1HA   GLY  58          HA2       GLY  58  -4.991 -27.856   0.427
  400   2HA   GLY  58          HA3       GLY  58  -3.449 -27.306  -0.235
  401    H    ARG  59           H        ARG  59  -4.089 -25.114   2.273
  402    HA   ARG  59           HA       ARG  59  -2.098 -26.387   3.951
  403   1HB   ARG  59          HB2       ARG  59  -3.917 -24.014   4.506
  404   2HB   ARG  59          HB3       ARG  59  -2.488 -24.493   5.437
  405   1HG   ARG  59          HG2       ARG  59  -1.108 -24.204   3.348
  406   2HG   ARG  59          HG3       ARG  59  -2.526 -23.492   2.561
  407   1HD   ARG  59          HD2       ARG  59  -1.104 -22.503   5.066
  408   2HD   ARG  59          HD3       ARG  59  -1.109 -21.697   3.505
  409    HE   ARG  59           HE       ARG  59  -3.040 -21.475   5.604
  410   1HH1  ARG  59          1HH1      ARG  59  -5.355 -21.057   5.159
  411   2HH1  ARG  59          2HH1      ARG  59  -5.693 -20.258   3.635
  412   1HH2  ARG  59          1HH2      ARG  59  -2.623 -21.034   2.151
  413   2HH2  ARG  59          2HH2      ARG  59  -4.271 -20.506   1.877
  414    H    GLY  60           H        GLY  60  -5.586 -26.202   3.970
  415   1HA   GLY  60          HA2       GLY  60  -7.100 -27.594   5.190
  416   2HA   GLY  60          HA3       GLY  60  -5.784 -28.114   6.239
  417    H    THR  61           H        THR  61  -5.309 -24.849   6.145
  418    HA   THR  61           HA       THR  61  -7.004 -24.319   8.542
  419    HB   THR  61           HB       THR  61  -5.128 -22.696   8.950
  420    HG1  THR  61           HG1      THR  61  -4.269 -22.754   6.841
  421   1HG2  THR  61          1HG2      THR  61  -3.589 -24.404   9.868
  422   2HG2  THR  61          2HG2      THR  61  -5.278 -24.842  10.189
  423   3HG2  THR  61          3HG2      THR  61  -4.375 -25.660   8.890
  424    H    LEU  62           H        LEU  62  -8.466 -22.812   8.310
  425    HA   LEU  62           HA       LEU  62  -8.274 -20.693   6.206
  426   1HB   LEU  62          HB2       LEU  62 -10.480 -21.491   8.182
  427   2HB   LEU  62          HB3       LEU  62 -10.563 -20.083   7.124
  428    HG   LEU  62           HG       LEU  62 -10.486 -22.965   6.195
  429   1HD1  LEU  62          1HD1      LEU  62 -12.608 -22.243   7.272
  430   2HD1  LEU  62          2HD1      LEU  62 -12.661 -20.809   6.231
  431   3HD1  LEU  62          3HD1      LEU  62 -12.837 -22.432   5.521
  432   1HD2  LEU  62          1HD2      LEU  62  -9.383 -21.457   4.541
  433   2HD2  LEU  62          2HD2      LEU  62 -10.947 -22.026   3.976
  434   3HD2  LEU  62          3HD2      LEU  62 -10.780 -20.367   4.618
  435    H    ILE  63           H        ILE  63  -8.956 -18.500   7.135
  436    HA   ILE  63           HA       ILE  63  -8.189 -18.074   9.921
  437    HB   ILE  63           HB       ILE  63  -6.927 -16.280   7.866
  438   1HG1  ILE  63          2HG1      ILE  63  -4.743 -17.508   8.369
  439   2HG1  ILE  63          3HG1      ILE  63  -5.698 -18.928   8.709
  440   1HG2  ILE  63          1HG2      ILE  63  -6.126 -17.125  10.685
  441   2HG2  ILE  63          2HG2      ILE  63  -5.513 -15.736   9.767
  442   3HG2  ILE  63          3HG2      ILE  63  -7.181 -15.751  10.319
  443   1HD1  ILE  63          1HD1      ILE  63  -6.592 -18.718   6.294
  444   2HD1  ILE  63          2HD1      ILE  63  -5.536 -17.309   6.109
  445   3HD1  ILE  63          3HD1      ILE  63  -4.843 -18.913   6.408
  446    H    LYS  64           H        LYS  64  -9.747 -16.657  10.695
  447    HA   LYS  64           HA       LYS  64 -11.671 -15.537   8.859
  448   1HB   LYS  64          HB2       LYS  64 -11.065 -14.941  11.791
  449   2HB   LYS  64          HB3       LYS  64 -12.462 -14.291  10.910
  450   1HG   LYS  64          HG2       LYS  64 -13.238 -16.591  10.411
  451   2HG   LYS  64          HG3       LYS  64 -11.901 -17.265  11.344
  452   1HD   LYS  64          HD2       LYS  64 -14.108 -15.456  12.438
  453   2HD   LYS  64          HD3       LYS  64 -14.024 -17.216  12.610
  454   1HE   LYS  64          HE2       LYS  64 -11.823 -16.941  13.831
  455   2HE   LYS  64          HE3       LYS  64 -12.070 -15.185  13.790
  456   1HZ   LYS  64          HZ1       LYS  64 -12.817 -16.123  15.826
  457   2HZ   LYS  64          HZ2       LYS  64 -14.095 -15.494  14.998
  458   3HZ   LYS  64          HZ3       LYS  64 -13.868 -17.126  15.049
  459    H    ASP  65           H        ASP  65  -8.791 -14.389  10.548
  460    HA   ASP  65           HA       ASP  65  -8.743 -11.758   9.150
  461   1HB   ASP  65          HB2       ASP  65  -7.232 -11.088  10.935
  462   2HB   ASP  65          HB3       ASP  65  -8.803 -11.591  11.566
  463    HA   PRO  66           HA       PRO  66  -5.582 -14.642   7.283
  464   1HB   PRO  66          HB2       PRO  66  -5.866 -13.927   4.635
  465   2HB   PRO  66          HB3       PRO  66  -6.958 -15.080   5.464
  466   1HG   PRO  66          HG2       PRO  66  -7.355 -12.097   5.044
  467   2HG   PRO  66          HG3       PRO  66  -8.499 -13.417   4.643
  468   1HD   PRO  66          HD2       PRO  66  -8.737 -12.057   6.950
  469   2HD   PRO  66          HD3       PRO  66  -8.940 -13.835   6.930
  470    H    CYS  67           H        CYS  67  -3.549 -14.300   6.331
  471    HA   CYS  67           HA       CYS  67  -2.279 -11.784   6.935
  472   1HB   CYS  67          HB2       CYS  67  -1.168 -13.935   7.142
  473   2HB   CYS  67          HB3       CYS  67  -1.331 -14.227   5.411
  474    H    ASN  68           H        ASN  68  -3.527 -10.343   5.726
  475    HA   ASN  68           HA       ASN  68  -4.251 -10.114   3.158
  476   1HB   ASN  68          HB2       ASN  68  -4.014  -7.727   3.295
  477   2HB   ASN  68          HB3       ASN  68  -4.571  -8.357   4.849
  478   1HD2  ASN  68          1HD2      ASN  68  -1.794  -5.776   5.276
  479   2HD2  ASN  68          2HD2      ASN  68  -3.269  -5.759   4.327
  480    H    LYS  69           H        LYS  69  -0.907  -9.469   4.215
  481    HA   LYS  69           HA       LYS  69   0.407  -8.618   2.000
  482   1HB   LYS  69          HB2       LYS  69   1.417  -9.070   4.193
  483   2HB   LYS  69          HB3       LYS  69   1.380 -10.810   3.850
  484   1HG   LYS  69          HG2       LYS  69   2.883 -10.481   1.912
  485   2HG   LYS  69          HG3       LYS  69   2.860  -8.727   2.185
  486   1HD   LYS  69          HD2       LYS  69   3.966  -9.023   4.360
  487   2HD   LYS  69          HD3       LYS  69   3.812 -10.784   4.226
  488   1HE   LYS  69          HE2       LYS  69   6.105 -10.089   3.680
  489   2HE   LYS  69          HE3       LYS  69   5.318 -10.811   2.269
  490   1HZ   LYS  69          HZ1       LYS  69   5.606  -7.930   2.779
  491   2HZ   LYS  69          HZ2       LYS  69   6.516  -8.819   1.733
  492   3HZ   LYS  69          HZ3       LYS  69   4.909  -8.608   1.449
  493    H    CYS  70           H        CYS  70  -0.694 -11.980   2.523
  494    HA   CYS  70           HA       CYS  70   0.012 -12.647  -0.325
  495   1HB   CYS  70          HB2       CYS  70   0.600 -14.867   0.447
  496   2HB   CYS  70          HB3       CYS  70   1.596 -13.673   1.282
  497    H    HIS  71           H        HIS  71  -2.545 -11.673   1.055
  498    HA   HIS  71           HA       HIS  71  -4.742 -12.221   1.244
  499   1HB   HIS  71          HB2       HIS  71  -4.217 -12.282  -1.251
  500   2HB   HIS  71          HB3       HIS  71  -4.221 -14.040  -1.137
  501    HD1  HIS  71           HD1      HIS  71  -6.795 -14.695   0.352
  502    HD2  HIS  71           HD2      HIS  71  -6.419 -11.470  -2.319
  503    HE1  HIS  71           HE1      HIS  71  -9.173 -14.116  -0.449
  504    H    GLY  72           H        GLY  72  -2.999 -13.719   2.922
  505   1HA   GLY  72          HA2       GLY  72  -2.920 -15.522   4.288
  506   2HA   GLY  72          HA3       GLY  72  -4.654 -15.718   4.008
  507    H    HIS  73           H        HIS  73  -2.452 -16.066   1.229
  508    HA   HIS  73           HA       HIS  73  -3.293 -18.819   0.882
  509   1HB   HIS  73          HB2       HIS  73  -1.309 -17.065  -0.594
  510   2HB   HIS  73          HB3       HIS  73  -1.679 -18.736  -1.025
  511    HD1  HIS  73           HD1      HIS  73  -4.645 -16.585   0.069
  512    HD2  HIS  73           HD2      HIS  73  -2.693 -18.000  -3.385
  513    HE1  HIS  73           HE1      HIS  73  -6.280 -16.305  -1.865
  514    H    GLY  74           H        GLY  74  -0.588 -17.219   2.311
  515   1HA   GLY  74          HA2       GLY  74   0.870 -18.203   3.899
  516   2HA   GLY  74          HA3       GLY  74   0.596 -19.798   3.208
  517    H    ARG  75           H        ARG  75   0.998 -17.977   0.489
  518    HA   ARG  75           HA       ARG  75   3.958 -17.997   0.522
  519   1HB   ARG  75          HB2       ARG  75   4.017 -19.357  -1.476
  520   2HB   ARG  75          HB3       ARG  75   3.104 -20.208  -0.225
  521   1HG   ARG  75          HG2       ARG  75   1.043 -18.895  -1.509
  522   2HG   ARG  75          HG3       ARG  75   2.200 -19.045  -2.824
  523   1HD   ARG  75          HD2       ARG  75   0.821 -20.958  -2.953
  524   2HD   ARG  75          HD3       ARG  75   2.300 -21.575  -2.184
  525    HE   ARG  75           HE       ARG  75   0.637 -20.772  -0.084
  526   1HH1  ARG  75          1HH1      ARG  75  -1.073 -21.856   0.833
  527   2HH1  ARG  75          2HH1      ARG  75  -1.698 -23.361   0.148
  528   1HH2  ARG  75          1HH2      ARG  75   0.474 -23.200  -2.657
  529   2HH2  ARG  75          2HH2      ARG  75  -0.800 -24.106  -1.871
  530    H    VAL  76           H        VAL  76   4.909 -16.775  -1.131
  531    HA   VAL  76           HA       VAL  76   3.226 -14.852  -2.651
  532    HB   VAL  76           HB       VAL  76   4.981 -13.142  -2.208
  533   1HG1  VAL  76          1HG1      VAL  76   4.250 -12.521   0.031
  534   2HG1  VAL  76          2HG1      VAL  76   2.883 -13.172  -0.894
  535   3HG1  VAL  76          3HG1      VAL  76   3.685 -14.174   0.336
  536   1HG2  VAL  76          1HG2      VAL  76   6.017 -15.034  -0.045
  537   2HG2  VAL  76          2HG2      VAL  76   6.859 -14.668  -1.568
  538   3HG2  VAL  76          3HG2      VAL  76   6.572 -13.388  -0.380
  539    H    GLU  77           H        GLU  77   4.835 -13.841  -4.416
  540    HA   GLU  77           HA       GLU  77   5.874 -16.157  -5.820
  541   1HB   GLU  77          HB2       GLU  77   4.589 -14.576  -6.997
  542   2HB   GLU  77          HB3       GLU  77   5.716 -13.248  -6.603
  543   1HG   GLU  77          HG2       GLU  77   7.492 -14.381  -7.931
  544   2HG   GLU  77          HG3       GLU  77   6.374 -15.714  -8.280
  545    H    ARG  78           H        ARG  78   7.910 -16.686  -6.320
  546    HA   ARG  78           HA       ARG  78  10.091 -15.894  -4.586
  547   1HB   ARG  78          HB2       ARG  78   9.632 -18.193  -5.426
  548   2HB   ARG  78          HB3       ARG  78  10.014 -17.663  -7.060
  549   1HG   ARG  78          HG2       ARG  78  12.347 -17.244  -6.418
  550   2HG   ARG  78          HG3       ARG  78  11.999 -17.750  -4.759
  551   1HD   ARG  78          HD2       ARG  78  11.696 -19.451  -7.272
  552   2HD   ARG  78          HD3       ARG  78  12.995 -19.595  -6.077
  553    HE   ARG  78           HE       ARG  78  10.950 -19.986  -4.445
  554   1HH1  ARG  78          1HH1      ARG  78   9.334 -22.974  -5.220
  555   2HH1  ARG  78          2HH1      ARG  78   9.454 -21.602  -4.153
  556   1HH2  ARG  78          1HH2      ARG  78  11.616 -21.562  -7.574
  557   2HH2  ARG  78          2HH2      ARG  78  10.505 -22.874  -7.249
  558    H    SER  79           H        SER  79   9.689 -13.645  -5.237
  559    HA   SER  79           HA       SER  79  10.271 -12.561  -7.776
  560   1HB   SER  79          HB2       SER  79  10.479 -11.253  -5.024
  561   2HB   SER  79          HB3       SER  79  10.239 -10.435  -6.576
  562    HG   SER  79           HG       SER  79   8.436 -12.313  -5.359
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1  26.979 -20.676  -8.818
    2   1HA   GLY   1          HA2       GLY   1  27.580 -18.381  -9.977
    3   2HA   GLY   1          HA3       GLY   1  27.501 -19.388 -11.439
    4    H    VAL   2           H        VAL   2  25.494 -20.800 -11.594
    5    HA   VAL   2           HA       VAL   2  23.099 -19.275 -11.525
    6    HB   VAL   2           HB       VAL   2  21.951 -21.388 -12.000
    7   1HG1  VAL   2          1HG1      VAL   2  23.042 -21.867 -14.126
    8   2HG1  VAL   2          2HG1      VAL   2  23.077 -20.126 -13.806
    9   3HG1  VAL   2          3HG1      VAL   2  24.545 -21.101 -13.579
   10   1HG2  VAL   2          1HG2      VAL   2  24.657 -22.749 -11.582
   11   2HG2  VAL   2          2HG2      VAL   2  23.204 -22.967 -10.581
   12   3HG2  VAL   2          3HG2      VAL   2  23.203 -23.494 -12.265
   13    H    THR   3           H        THR   3  24.670 -21.260  -9.093
   14    HA   THR   3           HA       THR   3  22.609 -21.739  -7.252
   15    HB   THR   3           HB       THR   3  24.731 -21.594  -5.690
   16    HG1  THR   3           HG1      THR   3  26.656 -21.598  -6.889
   17   1HG2  THR   3          1HG2      THR   3  23.805 -23.718  -6.568
   18   2HG2  THR   3          2HG2      THR   3  24.683 -23.484  -8.095
   19   3HG2  THR   3          3HG2      THR   3  25.577 -23.747  -6.584
   20    H    LYS   4           H        LYS   4  24.529 -18.825  -7.943
   21    HA   LYS   4           HA       LYS   4  23.274 -17.345  -5.682
   22   1HB   LYS   4          HB2       LYS   4  25.378 -16.483  -7.714
   23   2HB   LYS   4          HB3       LYS   4  24.853 -15.575  -6.301
   24   1HG   LYS   4          HG2       LYS   4  26.346 -18.241  -6.345
   25   2HG   LYS   4          HG3       LYS   4  27.013 -16.676  -5.910
   26   1HD   LYS   4          HD2       LYS   4  24.920 -18.282  -4.364
   27   2HD   LYS   4          HD3       LYS   4  26.596 -18.002  -3.906
   28   1HE   LYS   4          HE2       LYS   4  24.389 -15.890  -4.041
   29   2HE   LYS   4          HE3       LYS   4  25.127 -16.571  -2.591
   30   1HZ   LYS   4          HZ1       LYS   4  26.054 -14.459  -3.117
   31   2HZ   LYS   4          HZ2       LYS   4  27.214 -15.619  -3.274
   32   3HZ   LYS   4          HZ3       LYS   4  26.514 -14.964  -4.616
   33    H    GLU   5           H        GLU   5  23.707 -17.215  -9.231
   34    HA   GLU   5           HA       GLU   5  21.654 -15.167  -9.560
   35   1HB   GLU   5          HB2       GLU   5  23.244 -16.855 -11.538
   36   2HB   GLU   5          HB3       GLU   5  22.118 -15.582 -12.006
   37   1HG   GLU   5          HG2       GLU   5  24.609 -15.177 -10.292
   38   2HG   GLU   5          HG3       GLU   5  24.440 -14.765 -12.003
   39    H    ILE   6           H        ILE   6  20.257 -16.774  -8.194
   40    HA   ILE   6           HA       ILE   6  18.794 -18.743  -9.838
   41    HB   ILE   6           HB       ILE   6  17.264 -18.780  -7.817
   42   1HG1  ILE   6          2HG1      ILE   6  19.537 -17.428  -6.314
   43   2HG1  ILE   6          3HG1      ILE   6  18.202 -16.469  -6.955
   44   1HG2  ILE   6          1HG2      ILE   6  20.190 -19.483  -7.404
   45   2HG2  ILE   6          2HG2      ILE   6  18.810 -20.204  -6.553
   46   3HG2  ILE   6          3HG2      ILE   6  19.001 -20.459  -8.292
   47   1HD1  ILE   6          1HD1      ILE   6  17.751 -17.049  -4.642
   48   2HD1  ILE   6          2HD1      ILE   6  16.590 -17.896  -5.683
   49   3HD1  ILE   6          3HD1      ILE   6  17.964 -18.775  -4.975
   50    H    ARG   7           H        ARG   7  18.677 -16.897 -11.459
   51    HA   ARG   7           HA       ARG   7  16.719 -14.798 -11.017
   52   1HB   ARG   7          HB2       ARG   7  17.897 -15.731 -13.658
   53   2HB   ARG   7          HB3       ARG   7  17.119 -14.182 -13.290
   54   1HG   ARG   7          HG2       ARG   7  19.009 -13.828 -11.550
   55   2HG   ARG   7          HG3       ARG   7  19.790 -15.232 -12.293
   56   1HD   ARG   7          HD2       ARG   7  20.768 -13.402 -13.415
   57   2HD   ARG   7          HD3       ARG   7  19.577 -14.037 -14.539
   58    HE   ARG   7           HE       ARG   7  18.312 -12.118 -14.334
   59   1HH1  ARG   7          1HH1      ARG   7  20.826 -12.104 -11.801
   60   2HH1  ARG   7          2HH1      ARG   7  20.465 -10.480 -11.296
   61   1HH2  ARG   7          1HH2      ARG   7  17.883  -9.993 -13.670
   62   2HH2  ARG   7          2HH2      ARG   7  18.790  -9.257 -12.377
   63    H    ILE   8           H        ILE   8  15.248 -16.664 -10.207
   64    HA   ILE   8           HA       ILE   8  13.233 -17.237 -12.289
   65    HB   ILE   8           HB       ILE   8  12.920 -19.473 -10.951
   66   1HG1  ILE   8          2HG1      ILE   8  15.897 -19.152 -10.455
   67   2HG1  ILE   8          3HG1      ILE   8  14.680 -18.778  -9.228
   68   1HG2  ILE   8          1HG2      ILE   8  13.604 -19.293 -13.340
   69   2HG2  ILE   8          2HG2      ILE   8  15.302 -19.169 -12.834
   70   3HG2  ILE   8          3HG2      ILE   8  14.381 -20.655 -12.528
   71   1HD1  ILE   8          1HD1      ILE   8  13.804 -21.093  -9.376
   72   2HD1  ILE   8          2HD1      ILE   8  15.093 -21.493 -10.537
   73   3HD1  ILE   8          3HD1      ILE   8  15.505 -21.022  -8.880
   74    HA   PRO   9           HA       PRO   9  10.594 -15.526  -9.165
   75   1HB   PRO   9          HB2       PRO   9   8.195 -16.747  -9.598
   76   2HB   PRO   9          HB3       PRO   9   8.937 -15.624 -10.771
   77   1HG   PRO   9          HG2       PRO   9   9.117 -18.646 -10.764
   78   2HG   PRO   9          HG3       PRO   9   8.610 -17.588 -12.119
   79   1HD   PRO   9          HD2       PRO   9  11.139 -18.491 -11.951
   80   2HD   PRO   9          HD3       PRO   9  10.836 -16.798 -12.430
   81    H    THR  10           H        THR  10  12.122 -16.634  -7.674
   82    HA   THR  10           HA       THR  10  11.546 -19.178  -6.534
   83    HB   THR  10           HB       THR  10  13.223 -16.911  -5.379
   84    HG1  THR  10           HG1      THR  10  13.787 -17.414  -7.570
   85   1HG2  THR  10          1HG2      THR  10  13.408 -19.948  -5.138
   86   2HG2  THR  10          2HG2      THR  10  14.532 -18.773  -4.424
   87   3HG2  THR  10          3HG2      THR  10  12.854 -18.849  -3.851
   88    H    LEU  11           H        LEU  11   9.747 -19.597  -5.342
   89    HA   LEU  11           HA       LEU  11   8.370 -17.490  -3.872
   90   1HB   LEU  11          HB2       LEU  11   7.894 -20.492  -3.902
   91   2HB   LEU  11          HB3       LEU  11   6.823 -19.264  -3.214
   92    HG   LEU  11           HG       LEU  11   7.514 -19.636  -6.164
   93   1HD1  LEU  11          1HD1      LEU  11   4.893 -19.888  -4.625
   94   2HD1  LEU  11          2HD1      LEU  11   5.120 -20.143  -6.368
   95   3HD1  LEU  11          3HD1      LEU  11   5.889 -21.240  -5.208
   96   1HD2  LEU  11          1HD2      LEU  11   5.947 -17.433  -4.762
   97   2HD2  LEU  11          2HD2      LEU  11   7.320 -17.265  -5.876
   98   3HD2  LEU  11          3HD2      LEU  11   5.763 -17.812  -6.495
   99    H    GLU  12           H        GLU  12   8.089 -17.370  -1.632
  100    HA   GLU  12           HA       GLU  12   9.894 -18.939   0.127
  101   1HB   GLU  12          HB2       GLU  12   9.651 -15.893   0.089
  102   2HB   GLU  12          HB3       GLU  12  10.582 -16.854   1.248
  103   1HG   GLU  12          HG2       GLU  12  12.020 -17.679  -0.629
  104   2HG   GLU  12          HG3       GLU  12  11.127 -16.641  -1.752
  105    H    GLU  13           H        GLU  13   9.066 -19.015   2.299
  106    HA   GLU  13           HA       GLU  13   6.171 -18.751   2.431
  107   1HB   GLU  13          HB2       GLU  13   6.274 -20.000   4.368
  108   2HB   GLU  13          HB3       GLU  13   7.535 -20.684   3.356
  109   1HG   GLU  13          HG2       GLU  13   7.876 -18.846   5.778
  110   2HG   GLU  13          HG3       GLU  13   8.253 -20.561   5.678
  111    H    CYS  14           H        CYS  14   4.993 -17.167   3.586
  112    HA   CYS  14           HA       CYS  14   6.460 -14.763   4.343
  113   1HB   CYS  14          HB2       CYS  14   4.220 -14.759   3.270
  114   2HB   CYS  14          HB3       CYS  14   3.590 -15.540   4.714
  115    H    ASP  15           H        ASP  15   7.831 -15.504   5.965
  116    HA   ASP  15           HA       ASP  15   7.449 -17.048   8.179
  117   1HB   ASP  15          HB2       ASP  15   9.286 -15.922   9.207
  118   2HB   ASP  15          HB3       ASP  15   9.595 -15.967   7.468
  119    H    VAL  16           H        VAL  16   6.478 -13.667   7.857
  120    HA   VAL  16           HA       VAL  16   5.710 -12.978  10.435
  121    HB   VAL  16           HB       VAL  16   4.557 -12.273   7.714
  122   1HG1  VAL  16          1HG1      VAL  16   3.568 -10.278   8.819
  123   2HG1  VAL  16          2HG1      VAL  16   2.778 -11.795   9.252
  124   3HG1  VAL  16          3HG1      VAL  16   3.910 -11.023  10.398
  125   1HG2  VAL  16          1HG2      VAL  16   5.797 -10.152   8.137
  126   2HG2  VAL  16          2HG2      VAL  16   6.435 -10.831   9.642
  127   3HG2  VAL  16          3HG2      VAL  16   6.883 -11.547   8.078
  128    H    CYS  17           H        CYS  17   3.850 -14.925   8.069
  129    HA   CYS  17           HA       CYS  17   1.756 -15.497  10.169
  130   1HB   CYS  17          HB2       CYS  17   0.369 -16.167   8.352
  131   2HB   CYS  17          HB3       CYS  17   0.862 -14.457   8.226
  132    H    HIS  18           H        HIS  18   4.599 -16.658   9.536
  133    HA   HIS  18           HA       HIS  18   5.664 -18.629   9.424
  134   1HB   HIS  18          HB2       HIS  18   3.155 -19.755  10.697
  135   2HB   HIS  18          HB3       HIS  18   4.806 -20.373  10.844
  136    HD1  HIS  18           HD1      HIS  18   5.737 -17.063  11.388
  137    HD2  HIS  18           HD2      HIS  18   3.015 -19.569  13.404
  138    HE1  HIS  18           HE1      HIS  18   5.438 -16.094  13.722
  139    H    GLY  19           H        GLY  19   4.285 -17.835   7.084
  140   1HA   GLY  19          HA2       GLY  19   3.968 -18.694   4.995
  141   2HA   GLY  19          HA3       GLY  19   4.347 -20.303   5.609
  142    H    SER  20           H        SER  20   1.755 -19.245   7.535
  143    HA   SER  20           HA       SER  20   0.014 -21.107   6.154
  144   1HB   SER  20          HB2       SER  20  -1.594 -20.613   7.874
  145   2HB   SER  20          HB3       SER  20  -0.005 -20.888   8.603
  146    HG   SER  20           HG       SER  20   0.173 -18.709   9.004
  147    H    GLY  21           H        GLY  21  -0.532 -17.780   7.065
  148   1HA   GLY  21          HA2       GLY  21  -1.100 -16.207   5.036
  149   2HA   GLY  21          HA3       GLY  21  -2.463 -17.322   4.844
  150    H    ALA  22           H        ALA  22  -2.228 -17.629   8.029
  151    HA   ALA  22           HA       ALA  22  -4.328 -15.770   8.650
  152   1HB   ALA  22          HB1       ALA  22  -3.878 -16.540  11.002
  153   2HB   ALA  22          HB2       ALA  22  -4.182 -17.835   9.824
  154   3HB   ALA  22          HB3       ALA  22  -2.523 -17.500  10.349
  155    H    LYS  23           H        LYS  23  -4.128 -13.873  10.128
  156    HA   LYS  23           HA       LYS  23  -2.134 -12.172   9.284
  157   1HB   LYS  23          HB2       LYS  23  -3.163 -10.507  10.501
  158   2HB   LYS  23          HB3       LYS  23  -4.428 -11.694  10.336
  159   1HG   LYS  23          HG2       LYS  23  -3.870 -12.578  12.598
  160   2HG   LYS  23          HG3       LYS  23  -2.644 -11.304  12.775
  161   1HD   LYS  23          HD2       LYS  23  -4.597  -9.648  12.324
  162   2HD   LYS  23          HD3       LYS  23  -5.658 -11.034  12.655
  163   1HE   LYS  23          HE2       LYS  23  -3.554  -9.891  14.549
  164   2HE   LYS  23          HE3       LYS  23  -5.307  -9.678  14.679
  165   1HZ   LYS  23          HZ1       LYS  23  -4.548 -11.399  16.110
  166   2HZ   LYS  23          HZ2       LYS  23  -5.499 -12.058  14.935
  167   3HZ   LYS  23          HZ3       LYS  23  -3.859 -12.229  14.866
  168    HA   PRO  24           HA       PRO  24   1.671 -12.205  11.254
  169   1HB   PRO  24          HB2       PRO  24   0.861  -9.899  13.046
  170   2HB   PRO  24          HB3       PRO  24   2.450 -10.183  12.273
  171   1HG   PRO  24          HG2       PRO  24   0.685  -8.537  11.059
  172   2HG   PRO  24          HG3       PRO  24   1.497  -9.785  10.072
  173   1HD   PRO  24          HD2       PRO  24  -1.256  -9.823  11.254
  174   2HD   PRO  24          HD3       PRO  24  -0.743 -10.345   9.617
  175    H    GLY  25           H        GLY  25   2.391 -13.758  12.538
  176   1HA   GLY  25          HA2       GLY  25   2.530 -15.306  14.191
  177   2HA   GLY  25          HA3       GLY  25   2.350 -13.933  15.291
  178    H    THR  26           H        THR  26  -0.298 -14.871  13.110
  179    HA   THR  26           HA       THR  26  -1.866 -15.897  15.446
  180    HB   THR  26           HB       THR  26  -2.815 -14.575  12.883
  181    HG1  THR  26           HG1      THR  26  -1.547 -13.189  14.340
  182   1HG2  THR  26          1HG2      THR  26  -4.561 -15.932  13.946
  183   2HG2  THR  26          2HG2      THR  26  -4.284 -15.090  15.492
  184   3HG2  THR  26          3HG2      THR  26  -4.910 -14.203  14.083
  185    H    GLN  27           H        GLN  27  -3.051 -17.840  15.062
  186    HA   GLN  27           HA       GLN  27  -2.000 -19.464  12.835
  187   1HB   GLN  27          HB2       GLN  27  -3.033 -21.337  14.004
  188   2HB   GLN  27          HB3       GLN  27  -1.903 -20.464  15.034
  189   1HG   GLN  27          HG2       GLN  27  -3.583 -19.645  16.431
  190   2HG   GLN  27          HG3       GLN  27  -4.853 -19.754  15.214
  191   1HE2  GLN  27          1HE2      GLN  27  -5.472 -23.256  15.666
  192   2HE2  GLN  27          2HE2      GLN  27  -5.430 -22.031  14.404
  193    HA   PRO  28           HA       PRO  28  -5.985 -19.245  10.687
  194   1HB   PRO  28          HB2       PRO  28  -5.851 -21.374   9.061
  195   2HB   PRO  28          HB3       PRO  28  -4.688 -20.033   8.858
  196   1HG   PRO  28          HG2       PRO  28  -4.254 -22.619  10.399
  197   2HG   PRO  28          HG3       PRO  28  -3.206 -21.936   9.120
  198   1HD   PRO  28          HD2       PRO  28  -2.732 -21.534  11.767
  199   2HD   PRO  28          HD3       PRO  28  -2.429 -20.235  10.576
  200    H    GLN  29           H        GLN  29  -7.840 -21.019  10.236
  201    HA   GLN  29           HA       GLN  29  -8.171 -22.648  12.757
  202   1HB   GLN  29          HB2       GLN  29 -10.207 -21.288  10.962
  203   2HB   GLN  29          HB3       GLN  29 -10.603 -22.469  12.223
  204   1HG   GLN  29          HG2       GLN  29  -9.566 -21.021  13.941
  205   2HG   GLN  29          HG3       GLN  29  -9.101 -19.855  12.698
  206   1HE2  GLN  29          1HE2      GLN  29 -13.119 -20.195  13.649
  207   2HE2  GLN  29          2HE2      GLN  29 -12.093 -21.612  13.785
  208    H    THR  30           H        THR  30  -8.101 -24.856  12.475
  209    HA   THR  30           HA       THR  30  -7.566 -26.164  10.145
  210    HB   THR  30           HB       THR  30  -9.325 -27.288  12.369
  211    HG1  THR  30           HG1      THR  30  -7.326 -27.501  13.518
  212   1HG2  THR  30          1HG2      THR  30  -6.984 -28.454  10.787
  213   2HG2  THR  30          2HG2      THR  30  -7.906 -29.295  12.049
  214   3HG2  THR  30          3HG2      THR  30  -8.705 -28.837  10.537
  215    H    CYS  31           H        CYS  31  -8.777 -26.612   8.280
  216    HA   CYS  31           HA       CYS  31 -11.498 -25.730   8.095
  217   1HB   CYS  31          HB2       CYS  31  -9.972 -25.844   6.163
  218   2HB   CYS  31          HB3       CYS  31  -9.964 -27.601   6.295
  219    HA   PRO  32           HA       PRO  32 -12.913 -29.529  10.124
  220   1HB   PRO  32          HB2       PRO  32 -15.576 -29.030  10.344
  221   2HB   PRO  32          HB3       PRO  32 -14.334 -28.178  11.314
  222   1HG   PRO  32          HG2       PRO  32 -15.655 -27.194   8.766
  223   2HG   PRO  32          HG3       PRO  32 -15.472 -26.321  10.314
  224   1HD   PRO  32          HD2       PRO  32 -13.729 -25.989   8.250
  225   2HD   PRO  32          HD3       PRO  32 -13.175 -25.958   9.950
  226    H    THR  33           H        THR  33 -14.497 -28.224   7.153
  227    HA   THR  33           HA       THR  33 -15.961 -30.278   6.255
  228    HB   THR  33           HB       THR  33 -14.125 -28.774   4.376
  229    HG1  THR  33           HG1      THR  33 -15.533 -26.948   4.799
  230   1HG2  THR  33          1HG2      THR  33 -17.144 -29.225   4.403
  231   2HG2  THR  33          2HG2      THR  33 -16.204 -28.457   3.106
  232   3HG2  THR  33          3HG2      THR  33 -15.975 -30.179   3.465
  233    H    CYS  34           H        CYS  34 -12.418 -30.031   6.017
  234    HA   CYS  34           HA       CYS  34 -12.273 -32.814   4.885
  235   1HB   CYS  34          HB2       CYS  34 -10.046 -32.112   4.068
  236   2HB   CYS  34          HB3       CYS  34 -11.385 -31.280   3.290
  237    H    HIS  35           H        HIS  35 -12.359 -31.627   7.802
  238    HA   HIS  35           HA       HIS  35 -11.293 -31.919   9.794
  239   1HB   HIS  35          HB2       HIS  35 -10.466 -34.569   8.547
  240   2HB   HIS  35          HB3       HIS  35 -10.598 -34.201  10.267
  241    HD1  HIS  35           HD1      HIS  35 -13.660 -32.727   9.068
  242    HD2  HIS  35           HD2      HIS  35 -12.170 -36.648   9.458
  243    HE1  HIS  35           HE1      HIS  35 -15.676 -34.274   9.110
  244    H    GLY  36           H        GLY  36  -9.784 -30.326   8.112
  245   1HA   GLY  36          HA2       GLY  36  -7.710 -29.392   8.013
  246   2HA   GLY  36          HA3       GLY  36  -7.178 -30.500   9.279
  247    H    SER  37           H        SER  37  -8.166 -32.598   6.834
  248    HA   SER  37           HA       SER  37  -5.435 -33.220   6.203
  249   1HB   SER  37          HB2       SER  37  -6.311 -34.901   4.724
  250   2HB   SER  37          HB3       SER  37  -7.232 -34.918   6.239
  251    HG   SER  37           HG       SER  37  -8.908 -33.856   5.193
  252    H    GLY  38           H        GLY  38  -7.922 -31.419   4.532
  253   1HA   GLY  38          HA2       GLY  38  -7.444 -29.607   3.025
  254   2HA   GLY  38          HA3       GLY  38  -5.943 -30.388   2.538
  255    H    GLN  39           H        GLN  39  -8.465 -32.745   2.709
  256    HA   GLN  39           HA       GLN  39  -9.284 -32.268  -0.102
  257   1HB   GLN  39          HB2       GLN  39  -8.905 -34.631  -0.645
  258   2HB   GLN  39          HB3       GLN  39  -7.428 -33.738  -0.294
  259   1HG   GLN  39          HG2       GLN  39  -7.184 -35.867   0.699
  260   2HG   GLN  39          HG3       GLN  39  -7.408 -34.732   2.023
  261   1HE2  GLN  39          1HE2      GLN  39 -10.055 -36.713   3.296
  262   2HE2  GLN  39          2HE2      GLN  39  -8.737 -35.587   3.605
  263    H    VAL  40           H        VAL  40 -11.215 -33.181  -0.720
  264    HA   VAL  40           HA       VAL  40 -13.091 -33.910   1.501
  265    HB   VAL  40           HB       VAL  40 -14.825 -33.275  -0.245
  266   1HG1  VAL  40          1HG1      VAL  40 -14.361 -31.900   1.706
  267   2HG1  VAL  40          2HG1      VAL  40 -13.027 -31.087   0.854
  268   3HG1  VAL  40          3HG1      VAL  40 -14.706 -30.879   0.296
  269   1HG2  VAL  40          1HG2      VAL  40 -14.236 -31.718  -2.014
  270   2HG2  VAL  40          2HG2      VAL  40 -12.526 -31.753  -1.559
  271   3HG2  VAL  40          3HG2      VAL  40 -13.290 -33.190  -2.253
  272    H    GLN  41           H        GLN  41 -13.865 -35.973   1.406
  273    HA   GLN  41           HA       GLN  41 -13.358 -37.523  -1.084
  274   1HB   GLN  41          HB2       GLN  41 -11.908 -38.189   0.664
  275   2HB   GLN  41          HB3       GLN  41 -13.267 -38.528   1.756
  276   1HG   GLN  41          HG2       GLN  41 -13.991 -40.390   0.428
  277   2HG   GLN  41          HG3       GLN  41 -13.121 -39.832  -1.000
  278   1HE2  GLN  41          1HE2      GLN  41 -10.971 -41.810   1.893
  279   2HE2  GLN  41          2HE2      GLN  41 -12.466 -41.010   2.347
  280    H    MET  42           H        MET  42 -15.102 -37.740  -2.152
  281    HA   MET  42           HA       MET  42 -17.786 -37.610  -1.046
  282   1HB   MET  42          HB2       MET  42 -16.943 -38.485  -3.839
  283   2HB   MET  42          HB3       MET  42 -18.496 -37.822  -3.321
  284   1HG   MET  42          HG2       MET  42 -15.807 -36.426  -3.567
  285   2HG   MET  42          HG3       MET  42 -17.243 -36.139  -4.532
  286   1HE   MET  42          HE1       MET  42 -19.559 -35.884  -2.340
  287   2HE   MET  42          HE2       MET  42 -19.335 -34.781  -3.722
  288   3HE   MET  42          HE3       MET  42 -19.520 -34.127  -2.078
  289    H    ARG  43           H        ARG  43 -17.457 -39.324   0.523
  290    HA   ARG  43           HA       ARG  43 -16.934 -42.047  -0.268
  291   1HB   ARG  43          HB2       ARG  43 -16.499 -41.034   1.983
  292   2HB   ARG  43          HB3       ARG  43 -18.243 -41.045   2.281
  293   1HG   ARG  43          HG2       ARG  43 -18.224 -43.556   1.980
  294   2HG   ARG  43          HG3       ARG  43 -16.483 -43.478   1.666
  295   1HD   ARG  43          HD2       ARG  43 -16.883 -44.141   3.969
  296   2HD   ARG  43          HD3       ARG  43 -16.120 -42.534   3.931
  297    HE   ARG  43           HE       ARG  43 -18.975 -42.282   3.960
  298   1HH1  ARG  43          1HH1      ARG  43 -20.036 -41.623   5.865
  299   2HH1  ARG  43          2HH1      ARG  43 -19.270 -41.794   7.421
  300   1HH2  ARG  43          1HH2      ARG  43 -16.305 -43.197   6.077
  301   2HH2  ARG  43          2HH2      ARG  43 -17.099 -42.700   7.546
  302    H    GLN  44           H        GLN  44 -18.525 -41.804  -2.108
  303    HA   GLN  44           HA       GLN  44 -21.363 -41.984  -1.590
  304   1HB   GLN  44          HB2       GLN  44 -21.507 -42.541  -4.013
  305   2HB   GLN  44          HB3       GLN  44 -20.727 -41.003  -3.624
  306   1HG   GLN  44          HG2       GLN  44 -18.513 -41.924  -4.044
  307   2HG   GLN  44          HG3       GLN  44 -19.187 -43.543  -4.276
  308   1HE2  GLN  44          1HE2      GLN  44 -18.489 -42.196  -7.620
  309   2HE2  GLN  44          2HE2      GLN  44 -17.595 -42.718  -6.184
  310    H    GLY  45           H        GLY  45 -21.031 -43.639   0.104
  311   1HA   GLY  45          HA2       GLY  45 -21.721 -45.714   0.818
  312   2HA   GLY  45          HA3       GLY  45 -22.002 -46.204  -0.858
  313    H    PHE  46           H        PHE  46 -19.782 -46.339  -2.131
  314    HA   PHE  46           HA       PHE  46 -17.606 -47.501  -0.500
  315   1HB   PHE  46          HB2       PHE  46 -17.578 -49.611  -1.690
  316   2HB   PHE  46          HB3       PHE  46 -19.035 -49.402  -0.737
  317    HD1  PHE  46           HD1      PHE  46 -21.238 -48.890  -1.865
  318    HD2  PHE  46           HD2      PHE  46 -17.689 -49.938  -4.092
  319    HE1  PHE  46           HE1      PHE  46 -22.637 -49.517  -3.812
  320    HE2  PHE  46           HE2      PHE  46 -19.101 -50.669  -5.981
  321    HZ   PHE  46           HZ       PHE  46 -21.572 -50.437  -5.864
  322    H    PHE  47           H        PHE  47 -18.732 -46.495  -3.764
  323    HA   PHE  47           HA       PHE  47 -16.035 -46.613  -4.874
  324   1HB   PHE  47          HB2       PHE  47 -18.531 -45.159  -5.832
  325   2HB   PHE  47          HB3       PHE  47 -17.041 -45.334  -6.740
  326    HD1  PHE  47           HD1      PHE  47 -20.272 -46.577  -6.516
  327    HD2  PHE  47           HD2      PHE  47 -16.187 -47.885  -6.991
  328    HE1  PHE  47           HE1      PHE  47 -21.026 -48.405  -7.998
  329    HE2  PHE  47           HE2      PHE  47 -16.956 -49.743  -8.435
  330    HZ   PHE  47           HZ       PHE  47 -19.370 -49.977  -8.986
  331    H    ALA  48           H        ALA  48 -15.417 -45.406  -2.671
  332    HA   ALA  48           HA       ALA  48 -15.899 -42.618  -2.447
  333   1HB   ALA  48          HB1       ALA  48 -13.611 -44.293  -1.337
  334   2HB   ALA  48          HB2       ALA  48 -14.084 -42.672  -0.786
  335   3HB   ALA  48          HB3       ALA  48 -15.193 -44.041  -0.567
  336    H    VAL  49           H        VAL  49 -14.999 -40.885  -3.429
  337    HA   VAL  49           HA       VAL  49 -12.320 -41.051  -4.654
  338    HB   VAL  49           HB       VAL  49 -13.195 -39.692  -6.594
  339   1HG1  VAL  49          1HG1      VAL  49 -14.222 -42.538  -6.345
  340   2HG1  VAL  49          2HG1      VAL  49 -13.831 -41.675  -7.854
  341   3HG1  VAL  49          3HG1      VAL  49 -12.544 -42.056  -6.681
  342   1HG2  VAL  49          1HG2      VAL  49 -15.935 -40.740  -5.720
  343   2HG2  VAL  49          2HG2      VAL  49 -15.410 -39.041  -5.681
  344   3HG2  VAL  49          3HG2      VAL  49 -15.557 -39.890  -7.228
  345    H    GLN  50           H        GLN  50 -11.357 -38.870  -4.852
  346    HA   GLN  50           HA       GLN  50 -12.701 -36.921  -3.101
  347   1HB   GLN  50          HB2       GLN  50 -10.844 -36.898  -1.544
  348   2HB   GLN  50          HB3       GLN  50 -11.223 -38.605  -1.838
  349   1HG   GLN  50          HG2       GLN  50  -9.340 -38.684  -3.480
  350   2HG   GLN  50          HG3       GLN  50  -9.010 -36.972  -3.128
  351   1HE2  GLN  50          1HE2      GLN  50  -8.203 -39.596  -0.047
  352   2HE2  GLN  50          2HE2      GLN  50  -9.627 -39.922  -1.010
  353    H    GLN  51           H        GLN  51 -11.655 -34.851  -2.955
  354    HA   GLN  51           HA       GLN  51  -9.919 -34.118  -5.248
  355   1HB   GLN  51          HB2       GLN  51 -12.387 -32.463  -4.609
  356   2HB   GLN  51          HB3       GLN  51 -11.298 -32.353  -5.984
  357   1HG   GLN  51          HG2       GLN  51 -13.194 -33.297  -6.926
  358   2HG   GLN  51          HG3       GLN  51 -12.170 -34.706  -6.664
  359   1HE2  GLN  51          1HE2      GLN  51 -15.472 -34.080  -4.187
  360   2HE2  GLN  51          2HE2      GLN  51 -14.581 -32.710  -4.814
  361    H    THR  52           H        THR  52  -9.040 -31.852  -4.904
  362    HA   THR  52           HA       THR  52  -8.123 -31.425  -2.255
  363    HB   THR  52           HB       THR  52  -8.382 -29.427  -4.555
  364    HG1  THR  52           HG1      THR  52  -6.408 -31.410  -4.091
  365   1HG2  THR  52          1HG2      THR  52  -6.248 -28.536  -3.642
  366   2HG2  THR  52          2HG2      THR  52  -7.578 -28.408  -2.479
  367   3HG2  THR  52          3HG2      THR  52  -6.352 -29.689  -2.292
  368    H    CYS  53           H        CYS  53  -9.000 -30.086  -0.574
  369    HA   CYS  53           HA       CYS  53 -11.796 -29.485  -0.751
  370   1HB   CYS  53          HB2       CYS  53 -10.674 -30.077   1.350
  371   2HB   CYS  53          HB3       CYS  53  -9.764 -28.566   1.284
  372    HA   PRO  54           HA       PRO  54 -10.879 -25.560  -2.845
  373   1HB   PRO  54          HB2       PRO  54 -13.417 -24.642  -3.284
  374   2HB   PRO  54          HB3       PRO  54 -12.688 -25.987  -4.204
  375   1HG   PRO  54          HG2       PRO  54 -14.558 -26.185  -1.831
  376   2HG   PRO  54          HG3       PRO  54 -14.656 -27.056  -3.385
  377   1HD   PRO  54          HD2       PRO  54 -13.543 -28.177  -1.170
  378   2HD   PRO  54          HD3       PRO  54 -12.890 -28.497  -2.804
  379    H    HIS  55           H        HIS  55 -13.222 -25.757  -0.153
  380    HA   HIS  55           HA       HIS  55 -13.500 -23.138   0.555
  381   1HB   HIS  55          HB2       HIS  55 -14.639 -25.153   1.530
  382   2HB   HIS  55          HB3       HIS  55 -13.215 -25.418   2.546
  383    HD1  HIS  55           HD1      HIS  55 -13.252 -21.918   2.824
  384    HD2  HIS  55           HD2      HIS  55 -15.938 -24.947   3.990
  385    HE1  HIS  55           HE1      HIS  55 -14.726 -20.931   4.671
  386    H    CYS  56           H        CYS  56 -10.735 -25.206   1.387
  387    HA   CYS  56           HA       CYS  56  -9.309 -22.832   2.555
  388   1HB   CYS  56          HB2       CYS  56  -7.978 -24.475   3.804
  389   2HB   CYS  56          HB3       CYS  56  -9.677 -24.474   4.278
  390    H    GLN  57           H        GLN  57  -9.558 -23.911  -0.324
  391    HA   GLN  57           HA       GLN  57  -8.227 -24.393  -2.098
  392   1HB   GLN  57          HB2       GLN  57  -6.386 -22.433  -0.669
  393   2HB   GLN  57          HB3       GLN  57  -6.445 -22.777  -2.397
  394   1HG   GLN  57          HG2       GLN  57  -7.564 -20.727  -2.137
  395   2HG   GLN  57          HG3       GLN  57  -8.837 -21.917  -2.419
  396   1HE2  GLN  57          1HE2      GLN  57 -10.490 -21.165   0.649
  397   2HE2  GLN  57          2HE2      GLN  57 -10.514 -21.996  -0.890
  398    H    GLY  58           H        GLY  58  -7.981 -26.478  -0.361
  399   1HA   GLY  58          HA2       GLY  58  -6.694 -28.346  -0.087
  400   2HA   GLY  58          HA3       GLY  58  -5.469 -27.627  -1.137
  401    H    ARG  59           H        ARG  59  -5.672 -25.368   1.347
  402    HA   ARG  59           HA       ARG  59  -3.192 -26.360   2.510
  403   1HB   ARG  59          HB2       ARG  59  -5.006 -24.110   3.399
  404   2HB   ARG  59          HB3       ARG  59  -3.322 -24.358   3.884
  405   1HG   ARG  59          HG2       ARG  59  -2.571 -23.967   1.546
  406   2HG   ARG  59          HG3       ARG  59  -4.250 -23.603   1.088
  407   1HD   ARG  59          HD2       ARG  59  -2.590 -22.134   3.196
  408   2HD   ARG  59          HD3       ARG  59  -3.028 -21.504   1.615
  409    HE   ARG  59           HE       ARG  59  -4.781 -21.958   3.982
  410   1HH1  ARG  59          1HH1      ARG  59  -7.032 -21.762   3.739
  411   2HH1  ARG  59          2HH1      ARG  59  -7.671 -20.964   2.287
  412   1HH2  ARG  59          1HH2      ARG  59  -4.580 -20.554   0.725
  413   2HH2  ARG  59          2HH2      ARG  59  -6.324 -20.347   0.622
  414    H    GLY  60           H        GLY  60  -6.448 -27.091   3.178
  415   1HA   GLY  60          HA2       GLY  60  -7.500 -28.164   4.959
  416   2HA   GLY  60          HA3       GLY  60  -5.900 -28.489   5.626
  417    H    THR  61           H        THR  61  -6.191 -25.127   5.108
  418    HA   THR  61           HA       THR  61  -7.108 -24.586   7.879
  419    HB   THR  61           HB       THR  61  -5.111 -22.879   7.665
  420    HG1  THR  61           HG1      THR  61  -4.148 -25.047   6.101
  421   1HG2  THR  61          1HG2      THR  61  -4.714 -25.841   8.288
  422   2HG2  THR  61          2HG2      THR  61  -3.641 -24.522   8.799
  423   3HG2  THR  61          3HG2      THR  61  -5.303 -24.599   9.417
  424    H    LEU  62           H        LEU  62  -8.411 -22.985   8.103
  425    HA   LEU  62           HA       LEU  62  -9.193 -21.297   5.823
  426   1HB   LEU  62          HB2       LEU  62 -10.320 -21.619   8.634
  427   2HB   LEU  62          HB3       LEU  62 -11.005 -20.586   7.378
  428    HG   LEU  62           HG       LEU  62 -10.705 -23.618   7.150
  429   1HD1  LEU  62          1HD1      LEU  62 -13.131 -21.886   7.795
  430   2HD1  LEU  62          2HD1      LEU  62 -13.166 -23.636   7.488
  431   3HD1  LEU  62          3HD1      LEU  62 -12.307 -23.002   8.905
  432   1HD2  LEU  62          1HD2      LEU  62 -12.165 -21.565   5.425
  433   2HD2  LEU  62          2HD2      LEU  62 -10.747 -22.501   4.932
  434   3HD2  LEU  62          3HD2      LEU  62 -12.273 -23.335   5.237
  435    H    ILE  63           H        ILE  63  -8.362 -19.415   5.566
  436    HA   ILE  63           HA       ILE  63  -6.510 -18.198   7.453
  437    HB   ILE  63           HB       ILE  63  -7.574 -17.248   4.773
  438   1HG1  ILE  63          2HG1      ILE  63  -6.499 -19.359   4.438
  439   2HG1  ILE  63          3HG1      ILE  63  -5.400 -18.095   3.898
  440   1HG2  ILE  63          1HG2      ILE  63  -5.403 -15.929   4.811
  441   2HG2  ILE  63          2HG2      ILE  63  -6.657 -15.380   5.929
  442   3HG2  ILE  63          3HG2      ILE  63  -5.292 -16.323   6.541
  443   1HD1  ILE  63          1HD1      ILE  63  -4.213 -18.364   6.167
  444   2HD1  ILE  63          2HD1      ILE  63  -5.221 -19.808   6.408
  445   3HD1  ILE  63          3HD1      ILE  63  -4.099 -19.729   5.046
  446    H    LYS  64           H        LYS  64  -8.018 -18.139   9.151
  447    HA   LYS  64           HA       LYS  64 -10.334 -16.881   9.633
  448   1HB   LYS  64          HB2       LYS  64  -8.934 -17.925  11.334
  449   2HB   LYS  64          HB3       LYS  64  -7.718 -16.649  11.189
  450   1HG   LYS  64          HG2       LYS  64  -9.381 -14.991  12.054
  451   2HG   LYS  64          HG3       LYS  64 -10.550 -16.310  12.264
  452   1HD   LYS  64          HD2       LYS  64  -8.970 -17.454  13.803
  453   2HD   LYS  64          HD3       LYS  64  -7.776 -16.169  13.562
  454   1HE   LYS  64          HE2       LYS  64 -10.546 -15.832  14.814
  455   2HE   LYS  64          HE3       LYS  64  -9.002 -15.883  15.682
  456   1HZ   LYS  64          HZ1       LYS  64  -9.650 -13.654  15.387
  457   2HZ   LYS  64          HZ2       LYS  64  -8.344 -13.919  14.411
  458   3HZ   LYS  64          HZ3       LYS  64  -9.853 -13.836  13.763
  459    H    ASP  65           H        ASP  65  -7.210 -15.148   9.466
  460    HA   ASP  65           HA       ASP  65  -8.546 -12.621   8.715
  461   1HB   ASP  65          HB2       ASP  65  -6.759 -11.541  10.293
  462   2HB   ASP  65          HB3       ASP  65  -8.301 -12.120  10.915
  463    HA   PRO  66           HA       PRO  66  -5.298 -13.582   5.797
  464   1HB   PRO  66          HB2       PRO  66  -5.659 -11.636   3.918
  465   2HB   PRO  66          HB3       PRO  66  -6.796 -12.994   4.159
  466   1HG   PRO  66          HG2       PRO  66  -7.007 -10.193   5.299
  467   2HG   PRO  66          HG3       PRO  66  -8.266 -11.111   4.423
  468   1HD   PRO  66          HD2       PRO  66  -8.172 -11.024   7.141
  469   2HD   PRO  66          HD3       PRO  66  -8.642 -12.531   6.293
  470    H    CYS  67           H        CYS  67  -3.209 -13.282   6.001
  471    HA   CYS  67           HA       CYS  67  -1.967 -11.030   7.276
  472   1HB   CYS  67          HB2       CYS  67  -1.051 -13.294   7.315
  473   2HB   CYS  67          HB3       CYS  67  -0.912 -13.319   5.570
  474    H    ASN  68           H        ASN  68  -2.511  -9.156   6.079
  475    HA   ASN  68           HA       ASN  68  -2.644  -8.547   3.457
  476   1HB   ASN  68          HB2       ASN  68  -3.021  -6.802   4.978
  477   2HB   ASN  68          HB3       ASN  68  -1.441  -7.003   5.746
  478   1HD2  ASN  68          1HD2      ASN  68  -1.315  -5.085   2.096
  479   2HD2  ASN  68          2HD2      ASN  68  -2.376  -6.461   2.176
  480    H    LYS  69           H        LYS  69   0.537  -8.732   5.163
  481    HA   LYS  69           HA       LYS  69   2.222  -7.946   3.157
  482   1HB   LYS  69          HB2       LYS  69   2.956  -8.511   5.390
  483   2HB   LYS  69          HB3       LYS  69   2.689 -10.240   5.101
  484   1HG   LYS  69          HG2       LYS  69   4.413 -10.328   3.422
  485   2HG   LYS  69          HG3       LYS  69   4.561  -8.572   3.364
  486   1HD   LYS  69          HD2       LYS  69   5.264 -10.278   5.802
  487   2HD   LYS  69          HD3       LYS  69   6.408  -9.764   4.553
  488   1HE   LYS  69          HE2       LYS  69   5.707  -7.344   5.048
  489   2HE   LYS  69          HE3       LYS  69   4.896  -7.969   6.495
  490   1HZ   LYS  69          HZ1       LYS  69   7.023  -8.849   7.190
  491   2HZ   LYS  69          HZ2       LYS  69   7.747  -8.237   5.843
  492   3HZ   LYS  69          HZ3       LYS  69   7.093  -7.221   6.961
  493    H    CYS  70           H        CYS  70   0.583 -11.118   3.297
  494    HA   CYS  70           HA       CYS  70   1.572 -11.672   0.507
  495   1HB   CYS  70          HB2       CYS  70   1.421 -14.055   1.052
  496   2HB   CYS  70          HB3       CYS  70   2.643 -13.257   2.025
  497    H    HIS  71           H        HIS  71  -0.992 -10.471   2.012
  498    HA   HIS  71           HA       HIS  71  -3.253 -10.642   1.925
  499   1HB   HIS  71          HB2       HIS  71  -2.442 -11.293  -0.919
  500   2HB   HIS  71          HB3       HIS  71  -4.112 -10.933  -0.445
  501    HD1  HIS  71           HD1      HIS  71  -0.827  -9.115  -1.042
  502    HD2  HIS  71           HD2      HIS  71  -4.528  -8.487   0.842
  503    HE1  HIS  71           HE1      HIS  71  -0.923  -6.643  -0.425
  504    H    GLY  72           H        GLY  72  -2.274 -12.811   3.161
  505   1HA   GLY  72          HA2       GLY  72  -2.956 -14.878   3.881
  506   2HA   GLY  72          HA3       GLY  72  -4.448 -14.646   2.965
  507    H    HIS  73           H        HIS  73  -1.699 -14.515   0.855
  508    HA   HIS  73           HA       HIS  73  -2.362 -17.081  -0.333
  509   1HB   HIS  73          HB2       HIS  73  -0.031 -15.197  -0.873
  510   2HB   HIS  73          HB3       HIS  73  -0.488 -16.596  -1.834
  511    HD1  HIS  73           HD1      HIS  73  -3.308 -14.219  -0.742
  512    HD2  HIS  73           HD2      HIS  73  -0.762 -15.045  -3.997
  513    HE1  HIS  73           HE1      HIS  73  -4.240 -12.957  -2.736
  514    H    GLY  74           H        GLY  74  -0.437 -16.134   2.293
  515   1HA   GLY  74          HA2       GLY  74   0.789 -17.473   3.757
  516   2HA   GLY  74          HA3       GLY  74   0.616 -18.844   2.655
  517    H    ARG  75           H        ARG  75   1.762 -17.909   0.343
  518    HA   ARG  75           HA       ARG  75   4.624 -17.511   1.105
  519   1HB   ARG  75          HB2       ARG  75   5.030 -18.331  -1.283
  520   2HB   ARG  75          HB3       ARG  75   4.517 -19.489  -0.067
  521   1HG   ARG  75          HG2       ARG  75   3.456 -19.862  -2.235
  522   2HG   ARG  75          HG3       ARG  75   2.292 -19.606  -0.938
  523   1HD   ARG  75          HD2       ARG  75   1.564 -18.507  -2.967
  524   2HD   ARG  75          HD3       ARG  75   1.866 -17.311  -1.734
  525    HE   ARG  75           HE       ARG  75   3.907 -18.008  -3.827
  526   1HH1  ARG  75          1HH1      ARG  75   3.562 -14.905  -5.408
  527   2HH1  ARG  75          2HH1      ARG  75   4.169 -16.531  -5.540
  528   1HH2  ARG  75          1HH2      ARG  75   2.238 -14.312  -3.567
  529   2HH2  ARG  75          2HH2      ARG  75   2.239 -15.367  -2.179
  530    H    VAL  76           H        VAL  76   5.934 -16.356  -0.523
  531    HA   VAL  76           HA       VAL  76   4.610 -14.134  -1.946
  532    HB   VAL  76           HB       VAL  76   6.293 -12.553  -1.076
  533   1HG1  VAL  76          1HG1      VAL  76   5.274 -12.115   1.082
  534   2HG1  VAL  76          2HG1      VAL  76   4.029 -12.682  -0.048
  535   3HG1  VAL  76          3HG1      VAL  76   4.689 -13.785   1.183
  536   1HG2  VAL  76          1HG2      VAL  76   8.068 -14.111  -0.352
  537   2HG2  VAL  76          2HG2      VAL  76   7.581 -13.041   0.965
  538   3HG2  VAL  76          3HG2      VAL  76   7.022 -14.721   0.950
  539    H    GLU  77           H        GLU  77   6.117 -13.277  -3.594
  540    HA   GLU  77           HA       GLU  77   8.035 -15.357  -4.529
  541   1HB   GLU  77          HB2       GLU  77   6.211 -14.676  -6.060
  542   2HB   GLU  77          HB3       GLU  77   6.796 -13.001  -6.005
  543   1HG   GLU  77          HG2       GLU  77   8.977 -13.728  -6.952
  544   2HG   GLU  77          HG3       GLU  77   8.412 -15.408  -6.978
  545    H    ARG  78           H        ARG  78  10.186 -14.922  -4.494
  546    HA   ARG  78           HA       ARG  78  11.241 -12.559  -3.225
  547   1HB   ARG  78          HB2       ARG  78  12.212 -14.873  -3.146
  548   2HB   ARG  78          HB3       ARG  78  12.626 -14.720  -4.841
  549   1HG   ARG  78          HG2       ARG  78  13.706 -12.390  -3.559
  550   2HG   ARG  78          HG3       ARG  78  13.999 -13.717  -2.430
  551   1HD   ARG  78          HD2       ARG  78  15.887 -13.418  -4.026
  552   2HD   ARG  78          HD3       ARG  78  15.112 -15.006  -4.209
  553    HE   ARG  78           HE       ARG  78  14.019 -12.853  -5.867
  554   1HH1  ARG  78          1HH1      ARG  78  16.356 -15.493  -6.000
  555   2HH1  ARG  78          2HH1      ARG  78  15.892 -15.969  -7.613
  556   1HH2  ARG  78          1HH2      ARG  78  13.221 -13.586  -7.675
  557   2HH2  ARG  78          2HH2      ARG  78  13.889 -14.976  -8.529
  558    H    SER  79           H        SER  79  10.074 -11.085  -4.593
  559    HA   SER  79           HA       SER  79  10.520 -10.813  -7.410
  560   1HB   SER  79          HB2       SER  79   9.410  -8.808  -5.397
  561   2HB   SER  79          HB3       SER  79   9.167  -8.801  -7.152
  562    HG   SER  79           HG       SER  79   8.340 -10.884  -5.359
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1   6.862 -18.809 -25.689
    2   1HA   GLY   1          HA2       GLY   1   5.947 -16.250 -25.294
    3   2HA   GLY   1          HA3       GLY   1   4.442 -17.182 -25.417
    4    H    VAL   2           H        VAL   2   4.171 -19.022 -23.949
    5    HA   VAL   2           HA       VAL   2   4.772 -18.518 -21.246
    6    HB   VAL   2           HB       VAL   2   4.034 -20.833 -20.837
    7   1HG1  VAL   2          1HG1      VAL   2   2.288 -19.360 -22.855
    8   2HG1  VAL   2          2HG1      VAL   2   1.756 -20.557 -21.659
    9   3HG1  VAL   2          3HG1      VAL   2   2.403 -18.999 -21.119
   10   1HG2  VAL   2          1HG2      VAL   2   4.996 -21.997 -22.786
   11   2HG2  VAL   2          2HG2      VAL   2   3.253 -22.259 -22.676
   12   3HG2  VAL   2          3HG2      VAL   2   3.895 -21.123 -23.874
   13    H    THR   3           H        THR   3   6.695 -20.074 -23.718
   14    HA   THR   3           HA       THR   3   8.602 -21.468 -22.121
   15    HB   THR   3           HB       THR   3   9.825 -21.101 -24.434
   16    HG1  THR   3           HG1      THR   3   8.336 -20.440 -26.050
   17   1HG2  THR   3          1HG2      THR   3   8.378 -22.785 -25.526
   18   2HG2  THR   3          2HG2      THR   3   8.640 -23.192 -23.823
   19   3HG2  THR   3          3HG2      THR   3   7.096 -22.480 -24.336
   20    H    LYS   4           H        LYS   4   8.365 -18.187 -23.504
   21    HA   LYS   4           HA       LYS   4  11.058 -17.399 -22.671
   22   1HB   LYS   4          HB2       LYS   4   8.737 -15.802 -23.821
   23   2HB   LYS   4          HB3       LYS   4  10.401 -15.227 -23.620
   24   1HG   LYS   4          HG2       LYS   4  11.200 -17.059 -25.115
   25   2HG   LYS   4          HG3       LYS   4   9.529 -17.549 -25.418
   26   1HD   LYS   4          HD2       LYS   4  10.684 -14.790 -26.047
   27   2HD   LYS   4          HD3       LYS   4  10.514 -16.115 -27.209
   28   1HE   LYS   4          HE2       LYS   4   8.041 -16.131 -26.820
   29   2HE   LYS   4          HE3       LYS   4   8.217 -14.730 -25.743
   30   1HZ   LYS   4          HZ1       LYS   4   9.114 -13.508 -27.576
   31   2HZ   LYS   4          HZ2       LYS   4   8.946 -14.803 -28.581
   32   3HZ   LYS   4          HZ3       LYS   4   7.613 -14.082 -27.935
   33    H    GLU   5           H        GLU   5   7.707 -16.915 -21.618
   34    HA   GLU   5           HA       GLU   5   8.296 -14.987 -19.535
   35   1HB   GLU   5          HB2       GLU   5   5.914 -16.811 -20.046
   36   2HB   GLU   5          HB3       GLU   5   5.945 -15.511 -18.848
   37   1HG   GLU   5          HG2       GLU   5   6.188 -13.815 -20.553
   38   2HG   GLU   5          HG3       GLU   5   6.424 -15.015 -21.825
   39    H    ILE   6           H        ILE   6  10.195 -16.398 -18.812
   40    HA   ILE   6           HA       ILE   6   9.768 -18.799 -17.323
   41    HB   ILE   6           HB       ILE   6  12.090 -18.388 -16.491
   42   1HG1  ILE   6          2HG1      ILE   6  12.194 -16.058 -18.457
   43   2HG1  ILE   6          3HG1      ILE   6  11.912 -15.801 -16.735
   44   1HG2  ILE   6          1HG2      ILE   6  13.097 -18.873 -18.671
   45   2HG2  ILE   6          2HG2      ILE   6  11.546 -19.696 -18.512
   46   3HG2  ILE   6          3HG2      ILE   6  11.670 -18.232 -19.504
   47   1HD1  ILE   6          1HD1      ILE   6  14.263 -15.527 -17.213
   48   2HD1  ILE   6          2HD1      ILE   6  14.038 -16.971 -16.206
   49   3HD1  ILE   6          3HD1      ILE   6  14.364 -17.135 -17.949
   50    H    ARG   7           H        ARG   7   7.853 -17.865 -16.231
   51    HA   ARG   7           HA       ARG   7   8.168 -16.236 -13.863
   52   1HB   ARG   7          HB2       ARG   7   5.791 -16.786 -13.529
   53   2HB   ARG   7          HB3       ARG   7   6.149 -16.249 -15.170
   54   1HG   ARG   7          HG2       ARG   7   6.348 -18.958 -15.556
   55   2HG   ARG   7          HG3       ARG   7   5.241 -18.938 -14.192
   56   1HD   ARG   7          HD2       ARG   7   3.696 -17.488 -15.415
   57   2HD   ARG   7          HD3       ARG   7   4.822 -17.334 -16.766
   58    HE   ARG   7           HE       ARG   7   3.066 -19.574 -16.138
   59   1HH1  ARG   7          1HH1      ARG   7   2.972 -21.320 -17.585
   60   2HH1  ARG   7          2HH1      ARG   7   4.204 -21.537 -18.800
   61   1HH2  ARG   7          1HH2      ARG   7   6.036 -18.648 -17.885
   62   2HH2  ARG   7          2HH2      ARG   7   5.928 -19.927 -19.040
   63    H    ILE   8           H        ILE   8  10.125 -17.824 -13.359
   64    HA   ILE   8           HA       ILE   8   9.677 -20.364 -12.269
   65    HB   ILE   8           HB       ILE   8  11.720 -18.317 -11.328
   66   1HG1  ILE   8          2HG1      ILE   8  12.064 -18.516 -13.673
   67   2HG1  ILE   8          3HG1      ILE   8  13.294 -19.472 -12.872
   68   1HG2  ILE   8          1HG2      ILE   8  11.565 -20.172  -9.760
   69   2HG2  ILE   8          2HG2      ILE   8  11.686 -21.352 -11.078
   70   3HG2  ILE   8          3HG2      ILE   8  13.061 -20.302 -10.683
   71   1HD1  ILE   8          1HD1      ILE   8  10.802 -20.546 -14.268
   72   2HD1  ILE   8          2HD1      ILE   8  12.479 -20.663 -14.813
   73   3HD1  ILE   8          3HD1      ILE   8  11.965 -21.551 -13.369
   74    HA   PRO   9           HA       PRO   9   7.159 -18.976  -8.766
   75   1HB   PRO   9          HB2       PRO   9   6.570 -21.368  -7.602
   76   2HB   PRO   9          HB3       PRO   9   5.897 -20.861  -9.175
   77   1HG   PRO   9          HG2       PRO   9   8.322 -22.618  -8.701
   78   2HG   PRO   9          HG3       PRO   9   6.915 -22.963  -9.750
   79   1HD   PRO   9          HD2       PRO   9   9.209 -21.918 -10.739
   80   2HD   PRO   9          HD3       PRO   9   7.623 -21.363 -11.362
   81    H    THR  10           H        THR  10   9.194 -17.926  -8.154
   82    HA   THR  10           HA       THR  10  11.004 -19.188  -6.259
   83    HB   THR  10           HB       THR  10  10.729 -16.251  -7.005
   84    HG1  THR  10           HG1      THR  10  10.867 -17.579  -8.895
   85   1HG2  THR  10          1HG2      THR  10  12.334 -16.839  -5.142
   86   2HG2  THR  10          2HG2      THR  10  13.164 -17.941  -6.258
   87   3HG2  THR  10          3HG2      THR  10  13.141 -16.195  -6.584
   88    H    LEU  11           H        LEU  11   8.888 -19.793  -5.063
   89    HA   LEU  11           HA       LEU  11   7.599 -17.712  -3.509
   90   1HB   LEU  11          HB2       LEU  11   7.398 -20.717  -3.191
   91   2HB   LEU  11          HB3       LEU  11   6.314 -19.488  -2.528
   92    HG   LEU  11           HG       LEU  11   6.711 -20.258  -5.438
   93   1HD1  LEU  11          1HD1      LEU  11   4.249 -20.217  -3.660
   94   2HD1  LEU  11          2HD1      LEU  11   4.338 -20.815  -5.330
   95   3HD1  LEU  11          3HD1      LEU  11   5.218 -21.658  -4.038
   96   1HD2  LEU  11          1HD2      LEU  11   5.234 -17.842  -4.323
   97   2HD2  LEU  11          2HD2      LEU  11   6.532 -17.880  -5.544
   98   3HD2  LEU  11          3HD2      LEU  11   4.937 -18.523  -5.940
   99    H    GLU  12           H        GLU  12   8.296 -16.837  -1.698
  100    HA   GLU  12           HA       GLU  12  10.247 -18.303   0.044
  101   1HB   GLU  12          HB2       GLU  12   9.603 -15.342  -0.148
  102   2HB   GLU  12          HB3       GLU  12  10.742 -16.088   0.982
  103   1HG   GLU  12          HG2       GLU  12  12.043 -16.970  -0.995
  104   2HG   GLU  12          HG3       GLU  12  10.975 -16.041  -2.062
  105    H    GLU  13           H        GLU  13   9.568 -18.926   1.995
  106    HA   GLU  13           HA       GLU  13   6.883 -19.008   2.785
  107   1HB   GLU  13          HB2       GLU  13   8.886 -20.442   3.568
  108   2HB   GLU  13          HB3       GLU  13   9.317 -19.091   4.624
  109   1HG   GLU  13          HG2       GLU  13   8.109 -20.542   6.011
  110   2HG   GLU  13          HG3       GLU  13   6.899 -19.331   5.597
  111    H    CYS  14           H        CYS  14   5.542 -17.437   3.709
  112    HA   CYS  14           HA       CYS  14   6.736 -14.849   4.376
  113   1HB   CYS  14          HB2       CYS  14   4.562 -15.077   3.206
  114   2HB   CYS  14          HB3       CYS  14   3.897 -15.761   4.690
  115    H    ASP  15           H        ASP  15   8.095 -15.410   6.072
  116    HA   ASP  15           HA       ASP  15   7.635 -16.784   8.427
  117   1HB   ASP  15          HB2       ASP  15   9.441 -15.538   9.387
  118   2HB   ASP  15          HB3       ASP  15   9.815 -15.785   7.677
  119    H    VAL  16           H        VAL  16   6.631 -13.510   7.610
  120    HA   VAL  16           HA       VAL  16   5.815 -12.479  10.055
  121    HB   VAL  16           HB       VAL  16   4.442 -12.155   7.353
  122   1HG1  VAL  16          1HG1      VAL  16   3.747  -9.953   8.225
  123   2HG1  VAL  16          2HG1      VAL  16   3.037 -11.293   9.125
  124   3HG1  VAL  16          3HG1      VAL  16   4.408 -10.387   9.818
  125   1HG2  VAL  16          1HG2      VAL  16   6.786 -11.551   7.094
  126   2HG2  VAL  16          2HG2      VAL  16   5.859 -10.057   7.243
  127   3HG2  VAL  16          3HG2      VAL  16   6.771 -10.663   8.635
  128    H    CYS  17           H        CYS  17   3.916 -14.628   7.858
  129    HA   CYS  17           HA       CYS  17   1.916 -15.065  10.068
  130   1HB   CYS  17          HB2       CYS  17   0.566 -16.117   8.316
  131   2HB   CYS  17          HB3       CYS  17   0.842 -14.384   8.092
  132    H    HIS  18           H        HIS  18   4.780 -16.186   9.634
  133    HA   HIS  18           HA       HIS  18   5.870 -18.091  10.016
  134   1HB   HIS  18          HB2       HIS  18   3.363 -19.176  11.285
  135   2HB   HIS  18          HB3       HIS  18   5.039 -19.350  11.817
  136    HD1  HIS  18           HD1      HIS  18   5.594 -16.063  11.774
  137    HD2  HIS  18           HD2      HIS  18   2.205 -18.042  13.294
  138    HE1  HIS  18           HE1      HIS  18   4.460 -14.448  13.383
  139    H    GLY  19           H        GLY  19   4.582 -17.821   7.476
  140   1HA   GLY  19          HA2       GLY  19   4.400 -19.086   5.592
  141   2HA   GLY  19          HA3       GLY  19   4.789 -20.531   6.541
  142    H    SER  20           H        SER  20   2.098 -19.226   8.107
  143    HA   SER  20           HA       SER  20   0.448 -21.340   6.969
  144   1HB   SER  20          HB2       SER  20  -1.210 -20.671   8.554
  145   2HB   SER  20          HB3       SER  20   0.341 -20.833   9.363
  146    HG   SER  20           HG       SER  20   0.494 -18.583   9.453
  147    H    GLY  21           H        GLY  21  -0.213 -17.912   7.413
  148   1HA   GLY  21          HA2       GLY  21  -0.686 -16.758   5.044
  149   2HA   GLY  21          HA3       GLY  21  -2.059 -17.866   5.095
  150    H    ALA  22           H        ALA  22  -2.066 -17.497   8.224
  151    HA   ALA  22           HA       ALA  22  -3.833 -15.133   8.095
  152   1HB   ALA  22          HB1       ALA  22  -4.687 -15.851  10.205
  153   2HB   ALA  22          HB2       ALA  22  -4.630 -17.251   9.121
  154   3HB   ALA  22          HB3       ALA  22  -3.384 -17.048  10.379
  155    H    LYS  23           H        LYS  23  -3.549 -13.300   9.470
  156    HA   LYS  23           HA       LYS  23  -0.996 -12.326   9.587
  157   1HB   LYS  23          HB2       LYS  23  -1.905 -10.399  10.767
  158   2HB   LYS  23          HB3       LYS  23  -3.027 -11.030   9.600
  159   1HG   LYS  23          HG2       LYS  23  -4.359 -10.506  11.423
  160   2HG   LYS  23          HG3       LYS  23  -4.191 -12.265  11.436
  161   1HD   LYS  23          HD2       LYS  23  -4.164 -11.280  13.675
  162   2HD   LYS  23          HD3       LYS  23  -2.693 -12.177  13.341
  163   1HE   LYS  23          HE2       LYS  23  -1.499 -10.011  12.893
  164   2HE   LYS  23          HE3       LYS  23  -2.987  -9.150  13.338
  165   1HZ   LYS  23          HZ1       LYS  23  -1.447 -11.010  15.019
  166   2HZ   LYS  23          HZ2       LYS  23  -1.443  -9.364  15.152
  167   3HZ   LYS  23          HZ3       LYS  23  -2.816 -10.214  15.490
  168    HA   PRO  24           HA       PRO  24   1.714 -13.642  12.668
  169   1HB   PRO  24          HB2       PRO  24   1.280 -10.953  14.009
  170   2HB   PRO  24          HB3       PRO  24   2.807 -11.878  13.874
  171   1HG   PRO  24          HG2       PRO  24   2.218  -9.912  12.087
  172   2HG   PRO  24          HG3       PRO  24   2.946 -11.442  11.545
  173   1HD   PRO  24          HD2       PRO  24   0.159 -10.483  11.248
  174   2HD   PRO  24          HD3       PRO  24   1.057 -11.623  10.213
  175    H    GLY  25           H        GLY  25   1.491 -15.067  14.311
  176   1HA   GLY  25          HA2       GLY  25   0.864 -15.986  16.296
  177   2HA   GLY  25          HA3       GLY  25   0.129 -14.454  16.780
  178    H    THR  26           H        THR  26  -1.826 -14.097  14.872
  179    HA   THR  26           HA       THR  26  -3.866 -15.956  15.778
  180    HB   THR  26           HB       THR  26  -4.229 -13.782  13.699
  181    HG1  THR  26           HG1      THR  26  -3.172 -12.970  15.617
  182   1HG2  THR  26          1HG2      THR  26  -6.482 -13.673  14.725
  183   2HG2  THR  26          2HG2      THR  26  -6.147 -15.280  14.055
  184   3HG2  THR  26          3HG2      THR  26  -6.059 -15.007  15.812
  185    H    GLN  27           H        GLN  27  -2.587 -17.713  14.864
  186    HA   GLN  27           HA       GLN  27  -2.254 -18.324  12.155
  187   1HB   GLN  27          HB2       GLN  27  -2.001 -20.666  13.050
  188   2HB   GLN  27          HB3       GLN  27  -1.170 -19.443  14.000
  189   1HG   GLN  27          HG2       GLN  27  -3.567 -19.537  15.371
  190   2HG   GLN  27          HG3       GLN  27  -3.530 -21.155  14.687
  191   1HE2  GLN  27          1HE2      GLN  27  -0.641 -20.012  17.433
  192   2HE2  GLN  27          2HE2      GLN  27  -1.403 -18.765  16.462
  193    HA   PRO  28           HA       PRO  28  -6.308 -19.200  10.649
  194   1HB   PRO  28          HB2       PRO  28  -6.021 -21.347   8.987
  195   2HB   PRO  28          HB3       PRO  28  -5.331 -19.739   8.623
  196   1HG   PRO  28          HG2       PRO  28  -3.903 -22.071   9.929
  197   2HG   PRO  28          HG3       PRO  28  -3.396 -21.139   8.484
  198   1HD   PRO  28          HD2       PRO  28  -2.437 -20.514  10.919
  199   2HD   PRO  28          HD3       PRO  28  -2.945 -19.204   9.827
  200    H    GLN  29           H        GLN  29  -7.953 -21.109  10.355
  201    HA   GLN  29           HA       GLN  29  -7.754 -22.882  12.798
  202   1HB   GLN  29          HB2       GLN  29 -10.229 -21.741  11.475
  203   2HB   GLN  29          HB3       GLN  29 -10.175 -22.753  12.920
  204   1HG   GLN  29          HG2       GLN  29  -8.908 -19.963  12.698
  205   2HG   GLN  29          HG3       GLN  29 -10.497 -20.313  13.360
  206   1HE2  GLN  29          1HE2      GLN  29  -7.204 -21.320  15.624
  207   2HE2  GLN  29          2HE2      GLN  29  -6.966 -21.138  13.900
  208    H    THR  30           H        THR  30  -7.999 -25.073  12.560
  209    HA   THR  30           HA       THR  30  -7.462 -26.270  10.143
  210    HB   THR  30           HB       THR  30  -9.118 -27.524  12.379
  211    HG1  THR  30           HG1      THR  30  -6.328 -26.976  12.380
  212   1HG2  THR  30          1HG2      THR  30  -7.701 -29.490  11.911
  213   2HG2  THR  30          2HG2      THR  30  -8.550 -28.967  10.443
  214   3HG2  THR  30          3HG2      THR  30  -6.826 -28.577  10.662
  215    H    CYS  31           H        CYS  31  -8.710 -26.620   8.272
  216    HA   CYS  31           HA       CYS  31 -11.515 -25.948   8.285
  217   1HB   CYS  31          HB2       CYS  31 -10.108 -25.777   6.263
  218   2HB   CYS  31          HB3       CYS  31  -9.918 -27.530   6.269
  219    HA   PRO  32           HA       PRO  32 -12.439 -30.014  10.058
  220   1HB   PRO  32          HB2       PRO  32 -15.145 -29.873  10.314
  221   2HB   PRO  32          HB3       PRO  32 -14.004 -28.950  11.341
  222   1HG   PRO  32          HG2       PRO  32 -15.465 -27.949   8.878
  223   2HG   PRO  32          HG3       PRO  32 -15.371 -27.176  10.486
  224   1HD   PRO  32          HD2       PRO  32 -13.707 -26.472   8.454
  225   2HD   PRO  32          HD3       PRO  32 -13.127 -26.523  10.145
  226    H    THR  33           H        THR  33 -14.194 -28.765   7.164
  227    HA   THR  33           HA       THR  33 -15.408 -30.989   6.222
  228    HB   THR  33           HB       THR  33 -13.941 -29.160   4.321
  229    HG1  THR  33           HG1      THR  33 -16.113 -28.313   5.925
  230   1HG2  THR  33          1HG2      THR  33 -16.875 -29.992   4.535
  231   2HG2  THR  33          2HG2      THR  33 -16.120 -29.078   3.212
  232   3HG2  THR  33          3HG2      THR  33 -15.676 -30.774   3.492
  233    H    CYS  34           H        CYS  34 -11.986 -30.106   5.618
  234    HA   CYS  34           HA       CYS  34 -11.467 -32.807   4.415
  235   1HB   CYS  34          HB2       CYS  34  -9.231 -31.746   3.872
  236   2HB   CYS  34          HB3       CYS  34 -10.603 -31.292   2.915
  237    H    HIS  35           H        HIS  35 -11.693 -31.812   7.454
  238    HA   HIS  35           HA       HIS  35 -10.641 -32.264   9.415
  239   1HB   HIS  35          HB2       HIS  35  -9.385 -34.646   8.016
  240   2HB   HIS  35          HB3       HIS  35  -9.872 -34.494   9.704
  241    HD1  HIS  35           HD1      HIS  35 -12.924 -33.344   8.446
  242    HD2  HIS  35           HD2      HIS  35 -10.777 -36.908   7.793
  243    HE1  HIS  35           HE1      HIS  35 -14.593 -35.057   7.572
  244    H    GLY  36           H        GLY  36  -9.362 -30.317   8.049
  245   1HA   GLY  36          HA2       GLY  36  -7.420 -29.125   7.930
  246   2HA   GLY  36          HA3       GLY  36  -6.712 -30.278   9.073
  247    H    SER  37           H        SER  37  -7.633 -32.195   6.503
  248    HA   SER  37           HA       SER  37  -4.861 -32.386   5.612
  249   1HB   SER  37          HB2       SER  37  -7.243 -34.165   4.999
  250   2HB   SER  37          HB3       SER  37  -5.527 -34.539   4.810
  251    HG   SER  37           HG       SER  37  -6.752 -33.882   7.320
  252    H    GLY  38           H        GLY  38  -7.067 -30.303   4.565
  253   1HA   GLY  38          HA2       GLY  38  -7.144 -29.062   2.629
  254   2HA   GLY  38          HA3       GLY  38  -5.822 -30.041   2.004
  255    H    GLN  39           H        GLN  39  -7.552 -32.547   2.264
  256    HA   GLN  39           HA       GLN  39  -9.149 -32.127  -0.208
  257   1HB   GLN  39          HB2       GLN  39  -8.652 -34.473  -0.753
  258   2HB   GLN  39          HB3       GLN  39  -7.245 -33.423  -0.687
  259   1HG   GLN  39          HG2       GLN  39  -6.279 -35.042   0.462
  260   2HG   GLN  39          HG3       GLN  39  -7.155 -34.463   1.869
  261   1HE2  GLN  39          1HE2      GLN  39  -9.442 -37.288   1.839
  262   2HE2  GLN  39          2HE2      GLN  39  -9.394 -35.574   2.234
  263    H    VAL  40           H        VAL  40 -11.175 -32.803  -0.296
  264    HA   VAL  40           HA       VAL  40 -12.508 -33.885   2.147
  265    HB   VAL  40           HB       VAL  40 -14.556 -33.625   0.606
  266   1HG1  VAL  40          1HG1      VAL  40 -13.019 -31.154   1.458
  267   2HG1  VAL  40          2HG1      VAL  40 -14.768 -31.244   1.098
  268   3HG1  VAL  40          3HG1      VAL  40 -14.090 -32.165   2.461
  269   1HG2  VAL  40          1HG2      VAL  40 -12.784 -31.720  -0.976
  270   2HG2  VAL  40          2HG2      VAL  40 -13.175 -33.365  -1.523
  271   3HG2  VAL  40          3HG2      VAL  40 -14.466 -32.170  -1.280
  272    H    GLN  41           H        GLN  41 -13.848 -35.852   1.813
  273    HA   GLN  41           HA       GLN  41 -12.991 -37.520  -0.476
  274   1HB   GLN  41          HB2       GLN  41 -11.570 -37.877   1.603
  275   2HB   GLN  41          HB3       GLN  41 -13.019 -38.562   2.354
  276   1HG   GLN  41          HG2       GLN  41 -13.115 -40.256   0.506
  277   2HG   GLN  41          HG3       GLN  41 -11.712 -39.494  -0.255
  278   1HE2  GLN  41          1HE2      GLN  41 -10.128 -42.251   1.457
  279   2HE2  GLN  41          2HE2      GLN  41 -11.014 -41.862  -0.019
  280    H    MET  42           H        MET  42 -14.715 -38.046  -1.541
  281    HA   MET  42           HA       MET  42 -17.365 -38.019  -0.301
  282   1HB   MET  42          HB2       MET  42 -16.712 -37.270  -2.699
  283   2HB   MET  42          HB3       MET  42 -16.759 -38.985  -3.118
  284   1HG   MET  42          HG2       MET  42 -18.970 -37.267  -1.912
  285   2HG   MET  42          HG3       MET  42 -18.900 -37.858  -3.574
  286   1HE   MET  42          HE1       MET  42 -21.363 -38.027  -1.424
  287   2HE   MET  42          HE2       MET  42 -22.007 -39.625  -1.870
  288   3HE   MET  42          HE3       MET  42 -21.489 -38.492  -3.144
  289    H    ARG  43           H        ARG  43 -16.728 -39.577   1.308
  290    HA   ARG  43           HA       ARG  43 -15.955 -42.269   0.752
  291   1HB   ARG  43          HB2       ARG  43 -17.117 -40.941   3.209
  292   2HB   ARG  43          HB3       ARG  43 -16.535 -42.617   3.185
  293   1HG   ARG  43          HG2       ARG  43 -14.304 -41.981   2.625
  294   2HG   ARG  43          HG3       ARG  43 -14.778 -40.309   2.294
  295   1HD   ARG  43          HD2       ARG  43 -15.382 -39.988   4.646
  296   2HD   ARG  43          HD3       ARG  43 -14.816 -41.633   5.026
  297    HE   ARG  43           HE       ARG  43 -12.629 -40.703   3.818
  298   1HH1  ARG  43          1HH1      ARG  43 -11.088 -39.253   4.224
  299   2HH1  ARG  43          2HH1      ARG  43 -11.245 -38.038   5.491
  300   1HH2  ARG  43          1HH2      ARG  43 -14.551 -39.072   6.313
  301   2HH2  ARG  43          2HH2      ARG  43 -13.321 -37.878   6.648
  302    H    GLN  44           H        GLN  44 -17.760 -42.416  -1.036
  303    HA   GLN  44           HA       GLN  44 -20.372 -43.329  -0.058
  304   1HB   GLN  44          HB2       GLN  44 -20.736 -43.950  -2.428
  305   2HB   GLN  44          HB3       GLN  44 -20.322 -42.266  -2.198
  306   1HG   GLN  44          HG2       GLN  44 -18.435 -42.404  -3.445
  307   2HG   GLN  44          HG3       GLN  44 -17.900 -43.888  -2.655
  308   1HE2  GLN  44          1HE2      GLN  44 -19.599 -46.118  -4.929
  309   2HE2  GLN  44          2HE2      GLN  44 -19.354 -45.889  -3.208
  310    H    GLY  45           H        GLY  45 -18.685 -44.736   1.428
  311   1HA   GLY  45          HA2       GLY  45 -18.268 -46.853   2.156
  312   2HA   GLY  45          HA3       GLY  45 -19.303 -47.468   0.864
  313    H    PHE  46           H        PHE  46 -18.194 -47.310  -1.397
  314    HA   PHE  46           HA       PHE  46 -15.591 -48.715  -1.155
  315   1HB   PHE  46          HB2       PHE  46 -16.103 -49.503  -3.460
  316   2HB   PHE  46          HB3       PHE  46 -17.116 -50.093  -2.159
  317    HD1  PHE  46           HD1      PHE  46 -17.168 -48.680  -5.432
  318    HD2  PHE  46           HD2      PHE  46 -19.450 -49.103  -1.796
  319    HE1  PHE  46           HE1      PHE  46 -19.264 -48.363  -6.698
  320    HE2  PHE  46           HE2      PHE  46 -21.530 -48.661  -3.054
  321    HZ   PHE  46           HZ       PHE  46 -21.450 -48.322  -5.515
  322    H    PHE  47           H        PHE  47 -16.928 -46.554  -3.771
  323    HA   PHE  47           HA       PHE  47 -14.174 -45.783  -4.387
  324   1HB   PHE  47          HB2       PHE  47 -16.716 -44.582  -5.483
  325   2HB   PHE  47          HB3       PHE  47 -15.102 -44.424  -6.135
  326    HD1  PHE  47           HD1      PHE  47 -14.149 -47.313  -6.033
  327    HD2  PHE  47           HD2      PHE  47 -17.845 -45.498  -7.346
  328    HE1  PHE  47           HE1      PHE  47 -14.486 -49.152  -7.641
  329    HE2  PHE  47           HE2      PHE  47 -18.130 -47.312  -9.006
  330    HZ   PHE  47           HZ       PHE  47 -16.474 -49.163  -9.133
  331    H    ALA  48           H        ALA  48 -13.867 -45.084  -2.089
  332    HA   ALA  48           HA       ALA  48 -14.939 -42.526  -1.255
  333   1HB   ALA  48          HB1       ALA  48 -14.239 -44.261   0.342
  334   2HB   ALA  48          HB2       ALA  48 -12.563 -44.132  -0.232
  335   3HB   ALA  48          HB3       ALA  48 -13.330 -42.760   0.594
  336    H    VAL  49           H        VAL  49 -14.349 -41.676  -3.549
  337    HA   VAL  49           HA       VAL  49 -11.569 -41.006  -3.976
  338    HB   VAL  49           HB       VAL  49 -12.433 -39.644  -5.895
  339   1HG1  VAL  49          1HG1      VAL  49 -13.204 -42.572  -5.664
  340   2HG1  VAL  49          2HG1      VAL  49 -12.956 -41.677  -7.186
  341   3HG1  VAL  49          3HG1      VAL  49 -11.602 -41.909  -6.057
  342   1HG2  VAL  49          1HG2      VAL  49 -14.719 -39.914  -6.640
  343   2HG2  VAL  49          2HG2      VAL  49 -15.142 -40.890  -5.230
  344   3HG2  VAL  49          3HG2      VAL  49 -14.736 -39.172  -5.032
  345    H    GLN  50           H        GLN  50 -10.467 -39.167  -3.840
  346    HA   GLN  50           HA       GLN  50 -11.527 -37.238  -1.945
  347   1HB   GLN  50          HB2       GLN  50  -9.390 -36.755  -1.354
  348   2HB   GLN  50          HB3       GLN  50  -9.251 -38.460  -1.817
  349   1HG   GLN  50          HG2       GLN  50  -8.431 -37.672  -4.092
  350   2HG   GLN  50          HG3       GLN  50  -8.491 -36.005  -3.476
  351   1HE2  GLN  50          1HE2      GLN  50  -5.561 -38.492  -1.996
  352   2HE2  GLN  50          2HE2      GLN  50  -7.039 -39.213  -2.611
  353    H    GLN  51           H        GLN  51 -11.319 -34.918  -2.267
  354    HA   GLN  51           HA       GLN  51 -10.693 -33.982  -4.986
  355   1HB   GLN  51          HB2       GLN  51 -13.145 -32.725  -3.818
  356   2HB   GLN  51          HB3       GLN  51 -12.626 -32.910  -5.479
  357   1HG   GLN  51          HG2       GLN  51 -14.455 -34.255  -5.470
  358   2HG   GLN  51          HG3       GLN  51 -13.255 -35.483  -5.113
  359   1HE2  GLN  51          1HE2      GLN  51 -14.915 -36.122  -1.971
  360   2HE2  GLN  51          2HE2      GLN  51 -13.727 -36.740  -3.106
  361    H    THR  52           H        THR  52 -10.025 -31.684  -4.927
  362    HA   THR  52           HA       THR  52  -8.729 -30.954  -2.501
  363    HB   THR  52           HB       THR  52  -9.528 -29.145  -4.833
  364    HG1  THR  52           HG1      THR  52  -7.381 -30.998  -4.664
  365   1HG2  THR  52          1HG2      THR  52  -7.334 -28.083  -4.381
  366   2HG2  THR  52          2HG2      THR  52  -8.399 -27.995  -2.968
  367   3HG2  THR  52          3HG2      THR  52  -7.075 -29.185  -3.011
  368    H    CYS  53           H        CYS  53  -9.543 -29.703  -0.721
  369    HA   CYS  53           HA       CYS  53 -12.358 -29.189  -0.634
  370   1HB   CYS  53          HB2       CYS  53 -10.993 -29.707   1.336
  371   2HB   CYS  53          HB3       CYS  53 -10.138 -28.169   1.152
  372    HA   PRO  54           HA       PRO  54 -11.748 -25.224  -2.794
  373   1HB   PRO  54          HB2       PRO  54 -14.331 -24.388  -3.035
  374   2HB   PRO  54          HB3       PRO  54 -13.637 -25.722  -4.003
  375   1HG   PRO  54          HG2       PRO  54 -15.303 -25.961  -1.483
  376   2HG   PRO  54          HG3       PRO  54 -15.516 -26.829  -3.028
  377   1HD   PRO  54          HD2       PRO  54 -14.182 -27.931  -0.924
  378   2HD   PRO  54          HD3       PRO  54 -13.673 -28.231  -2.611
  379    H    HIS  55           H        HIS  55 -13.798 -25.574   0.100
  380    HA   HIS  55           HA       HIS  55 -14.180 -23.041   0.974
  381   1HB   HIS  55          HB2       HIS  55 -14.923 -25.209   2.031
  382   2HB   HIS  55          HB3       HIS  55 -13.330 -25.323   2.794
  383    HD1  HIS  55           HD1      HIS  55 -13.680 -21.887   3.279
  384    HD2  HIS  55           HD2      HIS  55 -15.809 -25.247   4.666
  385    HE1  HIS  55           HE1      HIS  55 -14.936 -21.150   5.387
  386    H    CYS  56           H        CYS  56 -11.117 -24.809   1.222
  387    HA   CYS  56           HA       CYS  56  -9.735 -22.307   2.134
  388   1HB   CYS  56          HB2       CYS  56  -8.208 -23.813   3.413
  389   2HB   CYS  56          HB3       CYS  56  -9.831 -23.666   4.067
  390    H    GLN  57           H        GLN  57 -10.224 -23.559  -0.575
  391    HA   GLN  57           HA       GLN  57  -9.076 -24.223  -2.442
  392   1HB   GLN  57          HB2       GLN  57  -7.213 -22.088  -1.317
  393   2HB   GLN  57          HB3       GLN  57  -7.247 -22.621  -3.003
  394   1HG   GLN  57          HG2       GLN  57  -9.614 -21.315  -1.575
  395   2HG   GLN  57          HG3       GLN  57  -8.446 -20.486  -2.600
  396   1HE2  GLN  57          1HE2      GLN  57 -11.436 -22.600  -4.367
  397   2HE2  GLN  57          2HE2      GLN  57 -11.287 -22.567  -2.613
  398    H    GLY  58           H        GLY  58  -8.635 -26.198  -0.681
  399   1HA   GLY  58          HA2       GLY  58  -7.289 -28.042  -0.495
  400   2HA   GLY  58          HA3       GLY  58  -6.148 -27.306  -1.615
  401    H    ARG  59           H        ARG  59  -6.240 -24.984   0.739
  402    HA   ARG  59           HA       ARG  59  -3.700 -25.862   1.809
  403   1HB   ARG  59          HB2       ARG  59  -5.411 -23.455   2.559
  404   2HB   ARG  59          HB3       ARG  59  -3.723 -23.751   2.993
  405   1HG   ARG  59          HG2       ARG  59  -3.182 -23.868   0.518
  406   2HG   ARG  59          HG3       ARG  59  -4.832 -23.355   0.171
  407   1HD   ARG  59          HD2       ARG  59  -3.256 -21.429   0.116
  408   2HD   ARG  59          HD3       ARG  59  -4.533 -21.253   1.318
  409    HE   ARG  59           HE       ARG  59  -2.978 -21.117   2.952
  410   1HH1  ARG  59          1HH1      ARG  59  -0.971 -21.332   4.012
  411   2HH1  ARG  59          2HH1      ARG  59   0.277 -22.315   3.302
  412   1HH2  ARG  59          1HH2      ARG  59  -1.440 -22.791   0.249
  413   2HH2  ARG  59          2HH2      ARG  59   0.087 -22.996   1.074
  414    H    GLY  60           H        GLY  60  -6.843 -26.630   2.780
  415   1HA   GLY  60          HA2       GLY  60  -7.675 -27.713   4.637
  416   2HA   GLY  60          HA3       GLY  60  -6.008 -28.021   5.115
  417    H    THR  61           H        THR  61  -6.276 -24.678   4.882
  418    HA   THR  61           HA       THR  61  -6.891 -24.367   7.772
  419    HB   THR  61           HB       THR  61  -5.121 -22.449   7.312
  420    HG1  THR  61           HG1      THR  61  -4.257 -24.467   5.499
  421   1HG2  THR  61          1HG2      THR  61  -3.337 -23.983   8.088
  422   2HG2  THR  61          2HG2      THR  61  -4.851 -24.224   8.981
  423   3HG2  THR  61          3HG2      THR  61  -4.375 -25.377   7.711
  424    H    LEU  62           H        LEU  62  -8.333 -22.935   8.258
  425    HA   LEU  62           HA       LEU  62  -9.639 -21.248   6.226
  426   1HB   LEU  62          HB2       LEU  62 -10.147 -21.616   9.204
  427   2HB   LEU  62          HB3       LEU  62 -11.154 -20.683   8.100
  428    HG   LEU  62           HG       LEU  62 -10.660 -23.692   7.870
  429   1HD1  LEU  62          1HD1      LEU  62 -11.887 -23.143   9.921
  430   2HD1  LEU  62          2HD1      LEU  62 -13.018 -22.127   9.002
  431   3HD1  LEU  62          3HD1      LEU  62 -12.980 -23.885   8.740
  432   1HD2  LEU  62          1HD2      LEU  62 -12.650 -23.580   6.348
  433   2HD2  LEU  62          2HD2      LEU  62 -12.597 -21.805   6.459
  434   3HD2  LEU  62          3HD2      LEU  62 -11.264 -22.698   5.699
  435    H    ILE  63           H        ILE  63  -8.470 -19.532   5.729
  436    HA   ILE  63           HA       ILE  63  -6.587 -18.230   7.481
  437    HB   ILE  63           HB       ILE  63  -7.709 -17.267   4.829
  438   1HG1  ILE  63          2HG1      ILE  63  -6.828 -19.505   4.439
  439   2HG1  ILE  63          3HG1      ILE  63  -5.807 -18.267   3.724
  440   1HG2  ILE  63          1HG2      ILE  63  -6.527 -15.533   5.985
  441   2HG2  ILE  63          2HG2      ILE  63  -5.186 -16.605   6.407
  442   3HG2  ILE  63          3HG2      ILE  63  -5.452 -16.141   4.713
  443   1HD1  ILE  63          1HD1      ILE  63  -4.205 -18.484   5.618
  444   2HD1  ILE  63          2HD1      ILE  63  -5.217 -19.787   6.292
  445   3HD1  ILE  63          3HD1      ILE  63  -4.430 -19.990   4.720
  446    H    LYS  64           H        LYS  64  -8.146 -18.013   9.207
  447    HA   LYS  64           HA       LYS  64 -10.429 -16.640   9.479
  448   1HB   LYS  64          HB2       LYS  64  -9.154 -17.751  11.263
  449   2HB   LYS  64          HB3       LYS  64  -7.983 -16.423  11.291
  450   1HG   LYS  64          HG2       LYS  64  -9.758 -14.864  12.038
  451   2HG   LYS  64          HG3       LYS  64 -10.956 -16.173  11.947
  452   1HD   LYS  64          HD2       LYS  64  -9.691 -17.455  13.654
  453   2HD   LYS  64          HD3       LYS  64  -8.454 -16.186  13.706
  454   1HE   LYS  64          HE2       LYS  64 -10.154 -14.555  14.499
  455   2HE   LYS  64          HE3       LYS  64 -11.397 -15.821  14.444
  456   1HZ   LYS  64          HZ1       LYS  64 -10.141 -17.033  16.073
  457   2HZ   LYS  64          HZ2       LYS  64  -8.988 -15.856  16.123
  458   3HZ   LYS  64          HZ3       LYS  64 -10.521 -15.531  16.634
  459    H    ASP  65           H        ASP  65  -7.233 -15.025   9.482
  460    HA   ASP  65           HA       ASP  65  -8.418 -12.504   8.517
  461   1HB   ASP  65          HB2       ASP  65  -7.014 -11.241  10.161
  462   2HB   ASP  65          HB3       ASP  65  -8.481 -12.011  10.758
  463    HA   PRO  66           HA       PRO  66  -4.892 -13.967   6.118
  464   1HB   PRO  66          HB2       PRO  66  -5.236 -12.475   3.817
  465   2HB   PRO  66          HB3       PRO  66  -6.187 -13.926   4.226
  466   1HG   PRO  66          HG2       PRO  66  -6.927 -11.043   4.728
  467   2HG   PRO  66          HG3       PRO  66  -7.931 -12.319   3.975
  468   1HD   PRO  66          HD2       PRO  66  -8.200 -11.668   6.560
  469   2HD   PRO  66          HD3       PRO  66  -8.271 -13.394   6.087
  470    H    CYS  67           H        CYS  67  -2.876 -13.497   5.774
  471    HA   CYS  67           HA       CYS  67  -1.721 -11.001   6.726
  472   1HB   CYS  67          HB2       CYS  67  -0.759 -13.208   7.162
  473   2HB   CYS  67          HB3       CYS  67  -0.567 -13.491   5.436
  474    H    ASN  68           H        ASN  68  -2.454  -9.448   5.335
  475    HA   ASN  68           HA       ASN  68  -2.839  -9.318   2.657
  476   1HB   ASN  68          HB2       ASN  68  -2.445  -6.948   2.755
  477   2HB   ASN  68          HB3       ASN  68  -3.275  -7.470   4.226
  478   1HD2  ASN  68          1HD2      ASN  68  -0.386  -5.086   4.981
  479   2HD2  ASN  68          2HD2      ASN  68  -1.688  -4.999   3.810
  480    H    LYS  69           H        LYS  69   0.329  -8.909   4.214
  481    HA   LYS  69           HA       LYS  69   2.034  -8.216   2.208
  482   1HB   LYS  69          HB2       LYS  69   2.640  -8.603   4.547
  483   2HB   LYS  69          HB3       LYS  69   2.506 -10.354   4.308
  484   1HG   LYS  69          HG2       LYS  69   4.353 -10.319   2.695
  485   2HG   LYS  69          HG3       LYS  69   4.446  -8.550   2.794
  486   1HD   LYS  69          HD2       LYS  69   5.025  -8.680   5.179
  487   2HD   LYS  69          HD3       LYS  69   4.851 -10.442   5.158
  488   1HE   LYS  69          HE2       LYS  69   6.886  -8.874   3.496
  489   2HE   LYS  69          HE3       LYS  69   7.236  -9.644   5.050
  490   1HZ   LYS  69          HZ1       LYS  69   6.648 -11.748   4.086
  491   2HZ   LYS  69          HZ2       LYS  69   6.357 -11.039   2.626
  492   3HZ   LYS  69          HZ3       LYS  69   7.877 -11.034   3.253
  493    H    CYS  70           H        CYS  70   0.625 -11.466   2.652
  494    HA   CYS  70           HA       CYS  70   1.794 -12.339   0.014
  495   1HB   CYS  70          HB2       CYS  70   1.834 -14.604   1.000
  496   2HB   CYS  70          HB3       CYS  70   2.919 -13.496   1.838
  497    H    HIS  71           H        HIS  71  -0.806 -11.028   0.878
  498    HA   HIS  71           HA       HIS  71  -3.054 -11.231   0.636
  499   1HB   HIS  71          HB2       HIS  71  -2.219 -12.899  -1.764
  500   2HB   HIS  71          HB3       HIS  71  -3.757 -12.059  -1.553
  501    HD1  HIS  71           HD1      HIS  71  -1.430  -9.540  -0.388
  502    HD2  HIS  71           HD2      HIS  71  -2.419 -11.255  -4.110
  503    HE1  HIS  71           HE1      HIS  71  -0.689  -7.892  -2.173
  504    H    GLY  72           H        GLY  72  -2.070 -13.082   2.540
  505   1HA   GLY  72          HA2       GLY  72  -2.978 -14.744   3.788
  506   2HA   GLY  72          HA3       GLY  72  -4.329 -14.866   2.669
  507    H    HIS  73           H        HIS  73  -1.576 -15.407   0.726
  508    HA   HIS  73           HA       HIS  73  -2.182 -18.221   0.592
  509   1HB   HIS  73          HB2       HIS  73  -1.502 -16.731  -1.301
  510   2HB   HIS  73          HB3       HIS  73   0.132 -16.665  -0.626
  511    HD1  HIS  73           HD1      HIS  73  -0.672 -20.108  -0.035
  512    HD2  HIS  73           HD2      HIS  73   0.100 -17.724  -3.408
  513    HE1  HIS  73           HE1      HIS  73  -0.021 -21.714  -1.926
  514    H    GLY  74           H        GLY  74   0.216 -16.302   2.200
  515   1HA   GLY  74          HA2       GLY  74   1.469 -16.903   4.056
  516   2HA   GLY  74          HA3       GLY  74   1.238 -18.607   3.752
  517    H    ARG  75           H        ARG  75   2.252 -16.848   0.921
  518    HA   ARG  75           HA       ARG  75   5.088 -16.895   1.535
  519   1HB   ARG  75          HB2       ARG  75   5.651 -18.382  -0.364
  520   2HB   ARG  75          HB3       ARG  75   4.779 -19.199   0.920
  521   1HG   ARG  75          HG2       ARG  75   2.718 -18.330  -0.835
  522   2HG   ARG  75          HG3       ARG  75   4.044 -18.742  -1.908
  523   1HD   ARG  75          HD2       ARG  75   2.676 -20.689  -1.619
  524   2HD   ARG  75          HD3       ARG  75   4.161 -21.009  -0.737
  525    HE   ARG  75           HE       ARG  75   1.480 -20.219   0.386
  526   1HH1  ARG  75          1HH1      ARG  75   1.075 -20.391   2.499
  527   2HH1  ARG  75          2HH1      ARG  75   2.268 -20.971   3.652
  528   1HH2  ARG  75          1HH2      ARG  75   4.676 -21.614   1.098
  529   2HH2  ARG  75          2HH2      ARG  75   4.405 -21.568   2.817
  530    H    VAL  76           H        VAL  76   6.312 -15.717   0.000
  531    HA   VAL  76           HA       VAL  76   4.641 -13.980  -1.791
  532    HB   VAL  76           HB       VAL  76   6.318 -12.254  -1.501
  533   1HG1  VAL  76          1HG1      VAL  76   5.257 -13.215   1.186
  534   2HG1  VAL  76          2HG1      VAL  76   5.652 -11.551   0.711
  535   3HG1  VAL  76          3HG1      VAL  76   4.289 -12.378  -0.052
  536   1HG2  VAL  76          1HG2      VAL  76   8.333 -13.523  -0.920
  537   2HG2  VAL  76          2HG2      VAL  76   7.963 -12.348   0.342
  538   3HG2  VAL  76          3HG2      VAL  76   7.590 -14.058   0.610
  539    H    GLU  77           H        GLU  77   5.092 -13.962  -3.912
  540    HA   GLU  77           HA       GLU  77   7.112 -15.826  -4.920
  541   1HB   GLU  77          HB2       GLU  77   4.859 -15.812  -5.888
  542   2HB   GLU  77          HB3       GLU  77   5.046 -14.114  -6.367
  543   1HG   GLU  77          HG2       GLU  77   6.779 -14.638  -7.932
  544   2HG   GLU  77          HG3       GLU  77   6.985 -16.276  -7.295
  545    H    ARG  78           H        ARG  78   9.140 -15.038  -4.727
  546    HA   ARG  78           HA       ARG  78   9.769 -12.221  -5.248
  547   1HB   ARG  78          HB2       ARG  78  10.811 -13.606  -3.482
  548   2HB   ARG  78          HB3       ARG  78  11.543 -14.629  -4.720
  549   1HG   ARG  78          HG2       ARG  78  12.891 -12.723  -5.541
  550   2HG   ARG  78          HG3       ARG  78  12.030 -11.612  -4.453
  551   1HD   ARG  78          HD2       ARG  78  12.917 -12.735  -2.509
  552   2HD   ARG  78          HD3       ARG  78  13.642 -14.018  -3.521
  553    HE   ARG  78           HE       ARG  78  14.666 -11.503  -4.339
  554   1HH1  ARG  78          1HH1      ARG  78  16.754 -10.852  -3.671
  555   2HH1  ARG  78          2HH1      ARG  78  17.513 -11.575  -2.278
  556   1HH2  ARG  78          1HH2      ARG  78  14.780 -13.736  -1.584
  557   2HH2  ARG  78          2HH2      ARG  78  16.369 -13.239  -1.071
  558    H    SER  79           H        SER  79   8.564 -12.740  -7.461
  559    HA   SER  79           HA       SER  79  10.463 -12.509  -9.557
  560   1HB   SER  79          HB2       SER  79   9.863 -14.596 -10.819
  561   2HB   SER  79          HB3       SER  79  10.832 -14.921  -9.382
  562    HG   SER  79           HG       SER  79   8.938 -16.285  -9.670
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1  22.321  -9.138  -5.310
    2   1HA   GLY   1          HA2       GLY   1  19.712  -8.567  -3.974
    3   2HA   GLY   1          HA3       GLY   1  20.310  -7.596  -5.328
    4    H    VAL   2           H        VAL   2  20.225 -11.087  -4.624
    5    HA   VAL   2           HA       VAL   2  19.814 -12.075  -7.181
    6    HB   VAL   2           HB       VAL   2  20.436 -13.350  -5.149
    7   1HG1  VAL   2          1HG1      VAL   2  18.765 -14.251  -3.637
    8   2HG1  VAL   2          2HG1      VAL   2  18.753 -12.483  -3.559
    9   3HG1  VAL   2          3HG1      VAL   2  17.478 -13.345  -4.443
   10   1HG2  VAL   2          1HG2      VAL   2  19.770 -14.516  -7.215
   11   2HG2  VAL   2          2HG2      VAL   2  19.325 -15.436  -5.766
   12   3HG2  VAL   2          3HG2      VAL   2  18.084 -14.547  -6.666
   13    H    THR   3           H        THR   3  17.452 -10.700  -4.969
   14    HA   THR   3           HA       THR   3  14.990 -11.493  -5.966
   15    HB   THR   3           HB       THR   3  14.459  -9.076  -5.040
   16    HG1  THR   3           HG1      THR   3  16.214  -8.239  -3.870
   17   1HG2  THR   3          1HG2      THR   3  15.879 -11.206  -3.354
   18   2HG2  THR   3          2HG2      THR   3  14.890  -9.878  -2.704
   19   3HG2  THR   3          3HG2      THR   3  14.137 -11.121  -3.714
   20    H    LYS   4           H        LYS   4  17.316  -9.144  -7.342
   21    HA   LYS   4           HA       LYS   4  15.436  -7.905  -9.138
   22   1HB   LYS   4          HB2       LYS   4  18.443  -8.250  -9.381
   23   2HB   LYS   4          HB3       LYS   4  17.439  -7.146 -10.338
   24   1HG   LYS   4          HG2       LYS   4  16.728  -6.034  -8.167
   25   2HG   LYS   4          HG3       LYS   4  17.954  -6.989  -7.333
   26   1HD   LYS   4          HD2       LYS   4  18.361  -4.914  -9.531
   27   2HD   LYS   4          HD3       LYS   4  18.874  -4.799  -7.846
   28   1HE   LYS   4          HE2       LYS   4  20.002  -6.663  -9.994
   29   2HE   LYS   4          HE3       LYS   4  20.801  -5.274  -9.257
   30   1HZ   LYS   4          HZ1       LYS   4  21.535  -7.328  -8.314
   31   2HZ   LYS   4          HZ2       LYS   4  20.774  -6.418  -7.171
   32   3HZ   LYS   4          HZ3       LYS   4  20.007  -7.721  -7.832
   33    H    GLU   5           H        GLU   5  17.240 -10.957  -9.253
   34    HA   GLU   5           HA       GLU   5  16.945 -11.272 -12.135
   35   1HB   GLU   5          HB2       GLU   5  17.769 -13.372 -10.104
   36   2HB   GLU   5          HB3       GLU   5  18.082 -13.338 -11.843
   37   1HG   GLU   5          HG2       GLU   5  19.288 -11.534  -9.697
   38   2HG   GLU   5          HG3       GLU   5  20.116 -12.715 -10.708
   39    H    ILE   6           H        ILE   6  14.510 -10.716 -11.512
   40    HA   ILE   6           HA       ILE   6  12.833 -12.860 -10.694
   41    HB   ILE   6           HB       ILE   6  10.992 -11.543 -11.589
   42   1HG1  ILE   6          2HG1      ILE   6  13.118  -9.729 -12.840
   43   2HG1  ILE   6          3HG1      ILE   6  12.021 -10.803 -13.722
   44   1HG2  ILE   6          1HG2      ILE   6  13.015  -9.646 -10.337
   45   2HG2  ILE   6          2HG2      ILE   6  11.251  -9.678 -10.117
   46   3HG2  ILE   6          3HG2      ILE   6  12.255 -10.978  -9.450
   47   1HD1  ILE   6          1HD1      ILE   6  11.211  -8.391 -12.056
   48   2HD1  ILE   6          2HD1      ILE   6  11.149  -8.562 -13.817
   49   3HD1  ILE   6          3HD1      ILE   6  10.074  -9.542 -12.799
   50    H    ARG   7           H        ARG   7  14.541 -12.433 -13.530
   51    HA   ARG   7           HA       ARG   7  13.031 -13.834 -15.460
   52   1HB   ARG   7          HB2       ARG   7  16.037 -13.824 -15.003
   53   2HB   ARG   7          HB3       ARG   7  15.242 -14.268 -16.522
   54   1HG   ARG   7          HG2       ARG   7  14.388 -11.975 -16.793
   55   2HG   ARG   7          HG3       ARG   7  15.117 -11.480 -15.258
   56   1HD   ARG   7          HD2       ARG   7  16.630 -12.398 -17.735
   57   2HD   ARG   7          HD3       ARG   7  16.508 -10.768 -17.104
   58    HE   ARG   7           HE       ARG   7  17.892 -11.242 -15.291
   59   1HH1  ARG   7          1HH1      ARG   7  19.634 -12.321 -14.353
   60   2HH1  ARG   7          2HH1      ARG   7  20.153 -13.874 -14.958
   61   1HH2  ARG   7          1HH2      ARG   7  17.549 -14.120 -17.340
   62   2HH2  ARG   7          2HH2      ARG   7  18.943 -14.914 -16.667
   63    H    ILE   8           H        ILE   8  14.817 -14.855 -12.738
   64    HA   ILE   8           HA       ILE   8  14.092 -17.725 -13.177
   65    HB   ILE   8           HB       ILE   8  16.367 -17.637 -13.649
   66   1HG1  ILE   8          2HG1      ILE   8  16.138 -18.601 -10.769
   67   2HG1  ILE   8          3HG1      ILE   8  15.466 -19.444 -12.172
   68   1HG2  ILE   8          1HG2      ILE   8  16.996 -15.448 -12.662
   69   2HG2  ILE   8          2HG2      ILE   8  16.997 -16.185 -11.046
   70   3HG2  ILE   8          3HG2      ILE   8  18.135 -16.726 -12.284
   71   1HD1  ILE   8          1HD1      ILE   8  17.584 -20.439 -11.614
   72   2HD1  ILE   8          2HD1      ILE   8  17.764 -19.581 -13.157
   73   3HD1  ILE   8          3HD1      ILE   8  18.412 -18.877 -11.654
   74    HA   PRO   9           HA       PRO   9  12.300 -15.834  -9.383
   75   1HB   PRO   9          HB2       PRO   9   9.827 -16.984  -9.441
   76   2HB   PRO   9          HB3       PRO   9  10.272 -15.597 -10.488
   77   1HG   PRO   9          HG2       PRO   9  10.278 -18.546 -11.185
   78   2HG   PRO   9          HG3       PRO   9   9.549 -17.206 -12.122
   79   1HD   PRO   9          HD2       PRO   9  12.007 -18.236 -12.684
   80   2HD   PRO   9          HD3       PRO   9  11.668 -16.496 -12.893
   81    H    THR  10           H        THR  10  11.030 -16.947  -7.512
   82    HA   THR  10           HA       THR  10  11.253 -19.736  -7.102
   83    HB   THR  10           HB       THR  10  12.863 -18.202  -5.042
   84    HG1  THR  10           HG1      THR  10  13.820 -18.978  -7.579
   85   1HG2  THR  10          1HG2      THR  10  13.021 -20.991  -6.258
   86   2HG2  THR  10          2HG2      THR  10  14.014 -20.401  -4.905
   87   3HG2  THR  10          3HG2      THR  10  12.260 -20.582  -4.702
   88    H    LEU  11           H        LEU  11  10.199 -20.177  -4.886
   89    HA   LEU  11           HA       LEU  11   8.460 -17.892  -4.053
   90   1HB   LEU  11          HB2       LEU  11   7.964 -20.883  -3.857
   91   2HB   LEU  11          HB3       LEU  11   6.897 -19.603  -3.270
   92    HG   LEU  11           HG       LEU  11   7.608 -20.166  -6.184
   93   1HD1  LEU  11          1HD1      LEU  11   6.017 -21.756  -5.134
   94   2HD1  LEU  11          2HD1      LEU  11   4.986 -20.390  -4.649
   95   3HD1  LEU  11          3HD1      LEU  11   5.233 -20.754  -6.369
   96   1HD2  LEU  11          1HD2      LEU  11   7.310 -17.781  -6.037
   97   2HD2  LEU  11          2HD2      LEU  11   5.796 -18.441  -6.647
   98   3HD2  LEU  11          3HD2      LEU  11   5.913 -17.951  -4.944
   99    H    GLU  12           H        GLU  12   8.301 -17.454  -1.882
  100    HA   GLU  12           HA       GLU  12  10.091 -18.899   0.014
  101   1HB   GLU  12          HB2       GLU  12   9.707 -15.882  -0.277
  102   2HB   GLU  12          HB3       GLU  12  10.686 -16.703   0.952
  103   1HG   GLU  12          HG2       GLU  12  12.134 -17.640  -0.871
  104   2HG   GLU  12          HG3       GLU  12  11.192 -16.731  -2.065
  105    H    GLU  13           H        GLU  13   9.166 -19.170   2.044
  106    HA   GLU  13           HA       GLU  13   6.308 -18.821   2.230
  107   1HB   GLU  13          HB2       GLU  13   6.420 -20.051   4.183
  108   2HB   GLU  13          HB3       GLU  13   7.682 -20.743   3.182
  109   1HG   GLU  13          HG2       GLU  13   8.033 -18.846   5.558
  110   2HG   GLU  13          HG3       GLU  13   8.404 -20.565   5.505
  111    H    CYS  14           H        CYS  14   5.146 -17.284   3.479
  112    HA   CYS  14           HA       CYS  14   6.620 -14.821   4.069
  113   1HB   CYS  14          HB2       CYS  14   4.373 -14.781   3.082
  114   2HB   CYS  14          HB3       CYS  14   3.760 -15.595   4.519
  115    H    ASP  15           H        ASP  15   8.029 -15.343   5.711
  116    HA   ASP  15           HA       ASP  15   7.720 -16.873   7.986
  117   1HB   ASP  15          HB2       ASP  15   9.559 -15.660   8.927
  118   2HB   ASP  15          HB3       ASP  15   9.840 -15.800   7.188
  119    H    VAL  16           H        VAL  16   6.641 -13.552   7.462
  120    HA   VAL  16           HA       VAL  16   5.924 -12.801  10.065
  121    HB   VAL  16           HB       VAL  16   4.629 -12.074   7.405
  122   1HG1  VAL  16          1HG1      VAL  16   4.412 -10.748  10.125
  123   2HG1  VAL  16          2HG1      VAL  16   3.895 -10.014   8.589
  124   3HG1  VAL  16          3HG1      VAL  16   3.100 -11.478   9.164
  125   1HG2  VAL  16          1HG2      VAL  16   6.834 -10.765   9.059
  126   2HG2  VAL  16          2HG2      VAL  16   7.006 -11.477   7.440
  127   3HG2  VAL  16          3HG2      VAL  16   6.042 -10.014   7.666
  128    H    CYS  17           H        CYS  17   4.088 -14.855   7.746
  129    HA   CYS  17           HA       CYS  17   2.106 -15.409   9.952
  130   1HB   CYS  17          HB2       CYS  17   0.666 -16.292   8.216
  131   2HB   CYS  17          HB3       CYS  17   0.972 -14.553   8.096
  132    H    HIS  18           H        HIS  18   4.934 -16.442   9.362
  133    HA   HIS  18           HA       HIS  18   6.068 -18.362   9.524
  134   1HB   HIS  18          HB2       HIS  18   3.625 -19.561  10.818
  135   2HB   HIS  18          HB3       HIS  18   5.325 -19.774  11.254
  136    HD1  HIS  18           HD1      HIS  18   5.881 -16.488  11.417
  137    HD2  HIS  18           HD2      HIS  18   2.570 -18.579  12.958
  138    HE1  HIS  18           HE1      HIS  18   4.810 -14.980  13.163
  139    H    GLY  19           H        GLY  19   4.697 -17.936   7.066
  140   1HA   GLY  19          HA2       GLY  19   4.456 -19.060   5.105
  141   2HA   GLY  19          HA3       GLY  19   4.925 -20.560   5.913
  142    H    SER  20           H        SER  20   2.172 -19.175   7.511
  143    HA   SER  20           HA       SER  20   0.498 -21.293   6.317
  144   1HB   SER  20          HB2       SER  20  -1.092 -20.780   8.017
  145   2HB   SER  20          HB3       SER  20   0.493 -21.012   8.745
  146    HG   SER  20           HG       SER  20   0.649 -18.804   9.069
  147    H    GLY  21           H        GLY  21  -0.284 -17.987   7.173
  148   1HA   GLY  21          HA2       GLY  21  -0.744 -16.543   4.949
  149   2HA   GLY  21          HA3       GLY  21  -2.103 -17.652   4.860
  150    H    ALA  22           H        ALA  22  -2.008 -17.580   8.074
  151    HA   ALA  22           HA       ALA  22  -3.831 -15.261   8.226
  152   1HB   ALA  22          HB1       ALA  22  -4.348 -16.120  10.465
  153   2HB   ALA  22          HB2       ALA  22  -4.596 -17.343   9.211
  154   3HB   ALA  22          HB3       ALA  22  -3.145 -17.400  10.256
  155    H    LYS  23           H        LYS  23  -3.577 -13.598   9.876
  156    HA   LYS  23           HA       LYS  23  -1.076 -12.448   9.922
  157   1HB   LYS  23          HB2       LYS  23  -1.917 -10.922  11.647
  158   2HB   LYS  23          HB3       LYS  23  -3.161 -11.269  10.437
  159   1HG   LYS  23          HG2       LYS  23  -4.079 -13.018  11.993
  160   2HG   LYS  23          HG3       LYS  23  -2.929 -12.494  13.226
  161   1HD   LYS  23          HD2       LYS  23  -5.038 -10.696  11.945
  162   2HD   LYS  23          HD3       LYS  23  -5.217 -11.539  13.494
  163   1HE   LYS  23          HE2       LYS  23  -3.203 -10.324  14.366
  164   2HE   LYS  23          HE3       LYS  23  -3.131  -9.400  12.851
  165   1HZ   LYS  23          HZ1       LYS  23  -5.378  -9.425  14.732
  166   2HZ   LYS  23          HZ2       LYS  23  -4.275  -8.216  14.550
  167   3HZ   LYS  23          HZ3       LYS  23  -5.315  -8.573  13.322
  168    HA   PRO  24           HA       PRO  24   1.829 -14.398  12.470
  169   1HB   PRO  24          HB2       PRO  24   2.419 -12.234  14.329
  170   2HB   PRO  24          HB3       PRO  24   3.348 -12.804  12.930
  171   1HG   PRO  24          HG2       PRO  24   1.333 -10.605  13.124
  172   2HG   PRO  24          HG3       PRO  24   2.730 -10.724  12.017
  173   1HD   PRO  24          HD2       PRO  24   0.236 -11.082  11.124
  174   2HD   PRO  24          HD3       PRO  24   1.513 -12.184  10.548
  175    H    GLY  25           H        GLY  25   1.878 -15.775  14.177
  176   1HA   GLY  25          HA2       GLY  25   1.398 -16.751  16.177
  177   2HA   GLY  25          HA3       GLY  25   0.713 -15.230  16.760
  178    H    THR  26           H        THR  26  -1.396 -14.765  15.128
  179    HA   THR  26           HA       THR  26  -3.346 -16.682  16.083
  180    HB   THR  26           HB       THR  26  -3.892 -14.406  14.156
  181    HG1  THR  26           HG1      THR  26  -2.651 -13.575  15.871
  182   1HG2  THR  26          1HG2      THR  26  -6.020 -14.332  15.414
  183   2HG2  THR  26          2HG2      THR  26  -5.762 -15.955  14.739
  184   3HG2  THR  26          3HG2      THR  26  -5.468 -15.648  16.467
  185    H    GLN  27           H        GLN  27  -2.461 -18.523  15.048
  186    HA   GLN  27           HA       GLN  27  -2.120 -18.899  12.341
  187   1HB   GLN  27          HB2       GLN  27  -2.072 -21.240  12.795
  188   2HB   GLN  27          HB3       GLN  27  -1.445 -20.434  14.226
  189   1HG   GLN  27          HG2       GLN  27  -4.258 -21.612  13.908
  190   2HG   GLN  27          HG3       GLN  27  -2.901 -22.339  14.750
  191   1HE2  GLN  27          1HE2      GLN  27  -5.014 -19.338  16.601
  192   2HE2  GLN  27          2HE2      GLN  27  -5.166 -19.554  14.857
  193    HA   PRO  28           HA       PRO  28  -6.056 -19.008  10.341
  194   1HB   PRO  28          HB2       PRO  28  -5.385 -21.729   9.287
  195   2HB   PRO  28          HB3       PRO  28  -5.941 -20.299   8.360
  196   1HG   PRO  28          HG2       PRO  28  -3.345 -21.067   8.285
  197   2HG   PRO  28          HG3       PRO  28  -3.740 -19.334   8.454
  198   1HD   PRO  28          HD2       PRO  28  -2.961 -21.299  10.615
  199   2HD   PRO  28          HD3       PRO  28  -2.384 -19.633  10.344
  200    H    GLN  29           H        GLN  29  -8.129 -20.319  10.007
  201    HA   GLN  29           HA       GLN  29  -8.646 -21.976  12.437
  202   1HB   GLN  29          HB2       GLN  29 -10.497 -20.749  10.362
  203   2HB   GLN  29          HB3       GLN  29 -11.010 -21.772  11.717
  204   1HG   GLN  29          HG2       GLN  29  -9.966 -20.159  13.302
  205   2HG   GLN  29          HG3       GLN  29  -9.545 -19.101  11.943
  206   1HE2  GLN  29          1HE2      GLN  29 -12.835 -18.063  13.543
  207   2HE2  GLN  29          2HE2      GLN  29 -11.257 -18.417  14.225
  208    H    THR  30           H        THR  30  -8.459 -24.198  12.260
  209    HA   THR  30           HA       THR  30  -7.760 -25.574  10.001
  210    HB   THR  30           HB       THR  30  -9.537 -26.724  12.198
  211    HG1  THR  30           HG1      THR  30  -7.612 -26.730  13.473
  212   1HG2  THR  30          1HG2      THR  30  -7.960 -28.624  12.044
  213   2HG2  THR  30          2HG2      THR  30  -8.689 -28.280  10.466
  214   3HG2  THR  30          3HG2      THR  30  -7.021 -27.762  10.808
  215    H    CYS  31           H        CYS  31  -8.912 -26.161   8.102
  216    HA   CYS  31           HA       CYS  31 -11.663 -25.447   7.840
  217   1HB   CYS  31          HB2       CYS  31 -10.105 -25.605   5.938
  218   2HB   CYS  31          HB3       CYS  31 -10.006 -27.349   6.180
  219    HA   PRO  32           HA       PRO  32 -12.938 -29.171  10.052
  220   1HB   PRO  32          HB2       PRO  32 -15.638 -28.855  10.107
  221   2HB   PRO  32          HB3       PRO  32 -14.499 -27.857  11.068
  222   1HG   PRO  32          HG2       PRO  32 -15.748 -27.136   8.398
  223   2HG   PRO  32          HG3       PRO  32 -15.710 -26.154   9.890
  224   1HD   PRO  32          HD2       PRO  32 -13.880 -25.825   7.907
  225   2HD   PRO  32          HD3       PRO  32 -13.412 -25.672   9.627
  226    H    THR  33           H        THR  33 -14.429 -28.266   6.883
  227    HA   THR  33           HA       THR  33 -15.689 -30.545   6.166
  228    HB   THR  33           HB       THR  33 -13.916 -29.023   4.245
  229    HG1  THR  33           HG1      THR  33 -16.305 -28.055   5.414
  230   1HG2  THR  33          1HG2      THR  33 -15.441 -30.763   3.323
  231   2HG2  THR  33          2HG2      THR  33 -16.825 -29.944   4.073
  232   3HG2  THR  33          3HG2      THR  33 -15.897 -29.132   2.793
  233    H    CYS  34           H        CYS  34 -12.174 -29.965   5.796
  234    HA   CYS  34           HA       CYS  34 -11.728 -32.835   5.002
  235   1HB   CYS  34          HB2       CYS  34  -9.413 -31.984   4.498
  236   2HB   CYS  34          HB3       CYS  34 -10.682 -31.539   3.394
  237    H    HIS  35           H        HIS  35 -12.048 -31.228   7.851
  238    HA   HIS  35           HA       HIS  35 -11.136 -31.382   9.923
  239   1HB   HIS  35          HB2       HIS  35  -9.974 -34.059   9.049
  240   2HB   HIS  35          HB3       HIS  35 -10.376 -33.534  10.679
  241    HD1  HIS  35           HD1      HIS  35 -13.403 -32.539   9.106
  242    HD2  HIS  35           HD2      HIS  35 -11.520 -36.246   9.759
  243    HE1  HIS  35           HE1      HIS  35 -15.220 -34.315   8.964
  244    H    GLY  36           H        GLY  36  -9.693 -29.892   8.057
  245   1HA   GLY  36          HA2       GLY  36  -7.679 -28.799   7.919
  246   2HA   GLY  36          HA3       GLY  36  -7.024 -29.832   9.192
  247    H    SER  37           H        SER  37  -8.050 -32.131   7.084
  248    HA   SER  37           HA       SER  37  -5.418 -32.704   6.215
  249   1HB   SER  37          HB2       SER  37  -7.908 -34.082   5.191
  250   2HB   SER  37          HB3       SER  37  -6.281 -34.739   5.479
  251    HG   SER  37           HG       SER  37  -8.283 -34.031   7.330
  252    H    GLY  38           H        GLY  38  -7.241 -30.384   4.806
  253   1HA   GLY  38          HA2       GLY  38  -6.895 -29.228   2.839
  254   2HA   GLY  38          HA3       GLY  38  -5.641 -30.383   2.410
  255    H    GLN  39           H        GLN  39  -7.646 -32.687   2.542
  256    HA   GLN  39           HA       GLN  39  -9.251 -32.091   0.118
  257   1HB   GLN  39          HB2       GLN  39  -8.635 -34.450  -0.639
  258   2HB   GLN  39          HB3       GLN  39  -7.462 -33.155  -0.877
  259   1HG   GLN  39          HG2       GLN  39  -6.395 -35.225  -0.161
  260   2HG   GLN  39          HG3       GLN  39  -6.117 -33.920   0.989
  261   1HE2  GLN  39          1HE2      GLN  39  -7.317 -35.922   3.628
  262   2HE2  GLN  39          2HE2      GLN  39  -6.259 -34.609   3.083
  263    H    VAL  40           H        VAL  40 -10.979 -33.429  -0.212
  264    HA   VAL  40           HA       VAL  40 -12.253 -34.490   2.278
  265    HB   VAL  40           HB       VAL  40 -14.331 -34.304   0.792
  266   1HG1  VAL  40          1HG1      VAL  40 -14.650 -31.917   1.183
  267   2HG1  VAL  40          2HG1      VAL  40 -13.912 -32.711   2.594
  268   3HG1  VAL  40          3HG1      VAL  40 -12.912 -31.713   1.510
  269   1HG2  VAL  40          1HG2      VAL  40 -13.019 -34.057  -1.352
  270   2HG2  VAL  40          2HG2      VAL  40 -14.308 -32.858  -1.131
  271   3HG2  VAL  40          3HG2      VAL  40 -12.619 -32.391  -0.873
  272    H    GLN  41           H        GLN  41 -13.133 -36.606   2.145
  273    HA   GLN  41           HA       GLN  41 -12.210 -38.221  -0.184
  274   1HB   GLN  41          HB2       GLN  41 -11.035 -38.659   1.906
  275   2HB   GLN  41          HB3       GLN  41 -12.564 -39.115   2.684
  276   1HG   GLN  41          HG2       GLN  41 -12.844 -40.992   1.171
  277   2HG   GLN  41          HG3       GLN  41 -11.558 -40.413   0.103
  278   1HE2  GLN  41          1HE2      GLN  41 -10.488 -42.279   3.622
  279   2HE2  GLN  41          2HE2      GLN  41 -12.079 -41.551   3.491
  280    H    MET  42           H        MET  42 -13.862 -38.544  -1.477
  281    HA   MET  42           HA       MET  42 -16.639 -38.802  -0.430
  282   1HB   MET  42          HB2       MET  42 -16.233 -37.044  -2.091
  283   2HB   MET  42          HB3       MET  42 -15.451 -38.208  -3.172
  284   1HG   MET  42          HG2       MET  42 -17.785 -37.606  -3.829
  285   2HG   MET  42          HG3       MET  42 -17.506 -39.331  -3.636
  286   1HE   MET  42          HE1       MET  42 -18.119 -36.749  -0.662
  287   2HE   MET  42          HE2       MET  42 -19.087 -36.116  -2.018
  288   3HE   MET  42          HE3       MET  42 -19.892 -36.798  -0.587
  289    H    ARG  43           H        ARG  43 -17.801 -40.697  -0.822
  290    HA   ARG  43           HA       ARG  43 -16.259 -42.984  -1.893
  291   1HB   ARG  43          HB2       ARG  43 -17.636 -42.991   0.323
  292   2HB   ARG  43          HB3       ARG  43 -19.024 -43.241  -0.749
  293   1HG   ARG  43          HG2       ARG  43 -17.801 -45.214  -1.748
  294   2HG   ARG  43          HG3       ARG  43 -16.451 -44.910  -0.644
  295   1HD   ARG  43          HD2       ARG  43 -17.804 -46.693   0.294
  296   2HD   ARG  43          HD3       ARG  43 -17.935 -45.260   1.310
  297    HE   ARG  43           HE       ARG  43 -20.171 -45.073   0.805
  298   1HH1  ARG  43          1HH1      ARG  43 -18.680 -47.400  -1.488
  299   2HH1  ARG  43          2HH1      ARG  43 -20.180 -47.597  -2.359
  300   1HH2  ARG  43          1HH2      ARG  43 -22.103 -46.625  -1.686
  301   2HH2  ARG  43          2HH2      ARG  43 -22.120 -45.506  -0.342
  302    H    GLN  44           H        GLN  44 -16.333 -43.083  -4.087
  303    HA   GLN  44           HA       GLN  44 -18.514 -41.799  -5.559
  304   1HB   GLN  44          HB2       GLN  44 -17.279 -42.421  -7.588
  305   2HB   GLN  44          HB3       GLN  44 -16.405 -41.443  -6.421
  306   1HG   GLN  44          HG2       GLN  44 -14.822 -42.909  -7.282
  307   2HG   GLN  44          HG3       GLN  44 -15.149 -43.510  -5.675
  308   1HE2  GLN  44          1HE2      GLN  44 -16.254 -45.708  -9.005
  309   2HE2  GLN  44          2HE2      GLN  44 -16.045 -43.972  -9.138
  310    H    GLY  45           H        GLY  45 -19.972 -43.383  -4.226
  311   1HA   GLY  45          HA2       GLY  45 -21.703 -44.887  -4.575
  312   2HA   GLY  45          HA3       GLY  45 -21.078 -45.256  -6.187
  313    H    PHE  46           H        PHE  46 -18.476 -46.113  -5.552
  314    HA   PHE  46           HA       PHE  46 -18.962 -48.640  -4.025
  315   1HB   PHE  46          HB2       PHE  46 -17.055 -48.139  -6.335
  316   2HB   PHE  46          HB3       PHE  46 -17.343 -49.656  -5.503
  317    HD1  PHE  46           HD1      PHE  46 -18.668 -47.177  -7.904
  318    HD2  PHE  46           HD2      PHE  46 -19.513 -50.867  -5.832
  319    HE1  PHE  46           HE1      PHE  46 -20.562 -47.611  -9.440
  320    HE2  PHE  46           HE2      PHE  46 -21.407 -51.293  -7.373
  321    HZ   PHE  46           HZ       PHE  46 -21.936 -49.668  -9.179
  322    H    PHE  47           H        PHE  47 -16.038 -46.846  -5.111
  323    HA   PHE  47           HA       PHE  47 -14.743 -47.520  -2.540
  324   1HB   PHE  47          HB2       PHE  47 -13.480 -46.514  -5.095
  325   2HB   PHE  47          HB3       PHE  47 -12.701 -47.377  -3.774
  326    HD1  PHE  47           HD1      PHE  47 -14.087 -47.723  -7.028
  327    HD2  PHE  47           HD2      PHE  47 -13.818 -49.799  -3.253
  328    HE1  PHE  47           HE1      PHE  47 -14.767 -49.829  -8.133
  329    HE2  PHE  47           HE2      PHE  47 -14.493 -51.904  -4.371
  330    HZ   PHE  47           HZ       PHE  47 -14.980 -51.922  -6.810
  331    H    ALA  48           H        ALA  48 -13.142 -46.019  -1.698
  332    HA   ALA  48           HA       ALA  48 -14.188 -43.289  -1.419
  333   1HB   ALA  48          HB1       ALA  48 -12.490 -43.158   0.350
  334   2HB   ALA  48          HB2       ALA  48 -13.539 -44.571   0.560
  335   3HB   ALA  48          HB3       ALA  48 -11.893 -44.769  -0.086
  336    H    VAL  49           H        VAL  49 -13.344 -41.519  -2.520
  337    HA   VAL  49           HA       VAL  49 -10.575 -41.650  -3.541
  338    HB   VAL  49           HB       VAL  49 -11.437 -40.401  -5.554
  339   1HG1  VAL  49          1HG1      VAL  49 -10.642 -42.718  -5.575
  340   2HG1  VAL  49          2HG1      VAL  49 -12.290 -43.304  -5.251
  341   3HG1  VAL  49          3HG1      VAL  49 -11.928 -42.461  -6.778
  342   1HG2  VAL  49          1HG2      VAL  49 -14.142 -41.569  -4.771
  343   2HG2  VAL  49          2HG2      VAL  49 -13.715 -39.847  -4.742
  344   3HG2  VAL  49          3HG2      VAL  49 -13.746 -40.726  -6.279
  345    H    GLN  50           H        GLN  50  -9.572 -39.650  -3.653
  346    HA   GLN  50           HA       GLN  50 -10.750 -37.691  -1.791
  347   1HB   GLN  50          HB2       GLN  50  -7.928 -38.398  -2.581
  348   2HB   GLN  50          HB3       GLN  50  -8.324 -36.932  -1.646
  349   1HG   GLN  50          HG2       GLN  50  -9.445 -38.241   0.066
  350   2HG   GLN  50          HG3       GLN  50  -9.210 -39.739  -0.857
  351   1HE2  GLN  50          1HE2      GLN  50  -6.483 -40.236   1.352
  352   2HE2  GLN  50          2HE2      GLN  50  -8.162 -40.655   1.014
  353    H    GLN  51           H        GLN  51 -10.841 -35.530  -2.175
  354    HA   GLN  51           HA       GLN  51 -10.192 -34.519  -4.902
  355   1HB   GLN  51          HB2       GLN  51 -12.721 -33.693  -3.487
  356   2HB   GLN  51          HB3       GLN  51 -12.318 -33.538  -5.182
  357   1HG   GLN  51          HG2       GLN  51 -12.772 -35.879  -5.593
  358   2HG   GLN  51          HG3       GLN  51 -12.904 -36.246  -3.866
  359   1HE2  GLN  51          1HE2      GLN  51 -16.079 -34.627  -3.383
  360   2HE2  GLN  51          2HE2      GLN  51 -14.517 -34.818  -2.613
  361    H    THR  52           H        THR  52  -9.425 -32.325  -4.780
  362    HA   THR  52           HA       THR  52  -8.383 -31.391  -2.363
  363    HB   THR  52           HB       THR  52  -9.257 -29.729  -4.773
  364    HG1  THR  52           HG1      THR  52  -7.183 -30.353  -5.587
  365   1HG2  THR  52          1HG2      THR  52  -7.234 -28.407  -4.169
  366   2HG2  THR  52          2HG2      THR  52  -8.405 -28.464  -2.836
  367   3HG2  THR  52          3HG2      THR  52  -6.957 -29.498  -2.788
  368    H    CYS  53           H        CYS  53  -9.259 -30.060  -0.667
  369    HA   CYS  53           HA       CYS  53 -12.137 -29.746  -0.662
  370   1HB   CYS  53          HB2       CYS  53 -10.833 -30.227   1.366
  371   2HB   CYS  53          HB3       CYS  53 -10.044 -28.655   1.211
  372    HA   PRO  54           HA       PRO  54 -11.581 -25.820  -2.887
  373   1HB   PRO  54          HB2       PRO  54 -14.183 -25.060  -3.212
  374   2HB   PRO  54          HB3       PRO  54 -13.431 -26.401  -4.123
  375   1HG   PRO  54          HG2       PRO  54 -15.139 -26.608  -1.629
  376   2HG   PRO  54          HG3       PRO  54 -15.299 -27.529  -3.150
  377   1HD   PRO  54          HD2       PRO  54 -13.984 -28.539  -0.996
  378   2HD   PRO  54          HD3       PRO  54 -13.416 -28.856  -2.659
  379    H    HIS  55           H        HIS  55 -13.679 -26.075  -0.013
  380    HA   HIS  55           HA       HIS  55 -14.101 -23.451   0.636
  381   1HB   HIS  55          HB2       HIS  55 -15.016 -25.486   1.763
  382   2HB   HIS  55          HB3       HIS  55 -13.481 -25.671   2.620
  383    HD1  HIS  55           HD1      HIS  55 -13.793 -22.136   2.808
  384    HD2  HIS  55           HD2      HIS  55 -15.887 -25.389   4.470
  385    HE1  HIS  55           HE1      HIS  55 -15.040 -21.244   4.858
  386    H    CYS  56           H        CYS  56 -11.141 -25.283   1.247
  387    HA   CYS  56           HA       CYS  56  -9.747 -22.821   2.282
  388   1HB   CYS  56          HB2       CYS  56  -8.214 -24.406   3.374
  389   2HB   CYS  56          HB3       CYS  56  -9.862 -24.496   3.994
  390    H    GLN  57           H        GLN  57 -10.231 -23.930  -0.566
  391    HA   GLN  57           HA       GLN  57  -9.077 -24.372  -2.469
  392   1HB   GLN  57          HB2       GLN  57  -7.210 -22.281  -1.282
  393   2HB   GLN  57          HB3       GLN  57  -7.432 -22.668  -2.987
  394   1HG   GLN  57          HG2       GLN  57  -8.635 -20.673  -2.625
  395   2HG   GLN  57          HG3       GLN  57  -9.851 -21.941  -2.783
  396   1HE2  GLN  57          1HE2      GLN  57 -11.256 -21.280   0.423
  397   2HE2  GLN  57          2HE2      GLN  57 -11.366 -22.128  -1.102
  398    H    GLY  58           H        GLY  58  -8.535 -26.411  -0.752
  399   1HA   GLY  58          HA2       GLY  58  -7.141 -28.210  -0.649
  400   2HA   GLY  58          HA3       GLY  58  -6.039 -27.411  -1.771
  401    H    ARG  59           H        ARG  59  -6.114 -25.153   0.680
  402    HA   ARG  59           HA       ARG  59  -3.512 -25.955   1.605
  403   1HB   ARG  59          HB2       ARG  59  -5.479 -23.961   2.789
  404   2HB   ARG  59          HB3       ARG  59  -3.765 -24.118   3.210
  405   1HG   ARG  59          HG2       ARG  59  -3.136 -23.511   0.880
  406   2HG   ARG  59          HG3       ARG  59  -4.852 -23.260   0.496
  407   1HD   ARG  59          HD2       ARG  59  -3.252 -21.796   2.652
  408   2HD   ARG  59          HD3       ARG  59  -3.729 -21.107   1.109
  409    HE   ARG  59           HE       ARG  59  -5.416 -21.621   3.480
  410   1HH1  ARG  59          1HH1      ARG  59  -7.634 -21.387   3.393
  411   2HH1  ARG  59          2HH1      ARG  59  -8.393 -20.709   1.937
  412   1HH2  ARG  59          1HH2      ARG  59  -5.435 -20.630   0.069
  413   2HH2  ARG  59          2HH2      ARG  59  -7.170 -20.335   0.091
  414    H    GLY  60           H        GLY  60  -6.719 -26.009   3.044
  415   1HA   GLY  60          HA2       GLY  60  -7.479 -27.767   4.592
  416   2HA   GLY  60          HA3       GLY  60  -5.837 -27.889   5.220
  417    H    THR  61           H        THR  61  -5.882 -24.723   4.870
  418    HA   THR  61           HA       THR  61  -6.965 -24.136   7.566
  419    HB   THR  61           HB       THR  61  -5.202 -22.258   7.196
  420    HG1  THR  61           HG1      THR  61  -4.998 -22.639   4.972
  421   1HG2  THR  61          1HG2      THR  61  -4.245 -25.158   7.348
  422   2HG2  THR  61          2HG2      THR  61  -3.348 -23.730   7.901
  423   3HG2  THR  61          3HG2      THR  61  -4.848 -24.209   8.725
  424    H    LEU  62           H        LEU  62  -8.486 -22.616   7.765
  425    HA   LEU  62           HA       LEU  62  -9.365 -21.013   5.431
  426   1HB   LEU  62          HB2       LEU  62 -10.550 -21.323   8.211
  427   2HB   LEU  62          HB3       LEU  62 -11.240 -20.382   6.890
  428    HG   LEU  62           HG       LEU  62 -10.804 -23.402   6.865
  429   1HD1  LEU  62          1HD1      LEU  62 -13.315 -21.708   7.226
  430   2HD1  LEU  62          2HD1      LEU  62 -13.290 -23.476   7.048
  431   3HD1  LEU  62          3HD1      LEU  62 -12.538 -22.716   8.465
  432   1HD2  LEU  62          1HD2      LEU  62 -12.233 -21.551   4.900
  433   2HD2  LEU  62          2HD2      LEU  62 -10.738 -22.441   4.574
  434   3HD2  LEU  62          3HD2      LEU  62 -12.233 -23.335   4.840
  435    H    ILE  63           H        ILE  63  -8.334 -19.223   5.137
  436    HA   ILE  63           HA       ILE  63  -6.774 -17.874   7.179
  437    HB   ILE  63           HB       ILE  63  -7.481 -17.013   4.343
  438   1HG1  ILE  63          2HG1      ILE  63  -6.439 -19.220   4.213
  439   2HG1  ILE  63          3HG1      ILE  63  -5.393 -17.954   3.593
  440   1HG2  ILE  63          1HG2      ILE  63  -5.295 -16.177   6.294
  441   2HG2  ILE  63          2HG2      ILE  63  -5.303 -15.760   4.564
  442   3HG2  ILE  63          3HG2      ILE  63  -6.597 -15.193   5.625
  443   1HD1  ILE  63          1HD1      ILE  63  -4.076 -19.517   4.881
  444   2HD1  ILE  63          2HD1      ILE  63  -4.128 -17.973   5.742
  445   3HD1  ILE  63          3HD1      ILE  63  -5.133 -19.331   6.295
  446    H    LYS  64           H        LYS  64  -8.780 -17.767   8.561
  447    HA   LYS  64           HA       LYS  64 -10.971 -16.128   7.957
  448   1HB   LYS  64          HB2       LYS  64 -10.864 -17.684   9.856
  449   2HB   LYS  64          HB3       LYS  64  -9.630 -16.689  10.639
  450   1HG   LYS  64          HG2       LYS  64 -11.770 -16.314  11.691
  451   2HG   LYS  64          HG3       LYS  64 -11.257 -14.833  10.880
  452   1HD   LYS  64          HD2       LYS  64 -12.808 -15.317   8.994
  453   2HD   LYS  64          HD3       LYS  64 -13.209 -16.886   9.722
  454   1HE   LYS  64          HE2       LYS  64 -14.979 -15.267  10.168
  455   2HE   LYS  64          HE3       LYS  64 -14.189 -15.720  11.686
  456   1HZ   LYS  64          HZ1       LYS  64 -14.559 -13.361  11.500
  457   2HZ   LYS  64          HZ2       LYS  64 -12.946 -13.683  11.570
  458   3HZ   LYS  64          HZ3       LYS  64 -13.642 -13.282  10.132
  459    H    ASP  65           H        ASP  65  -7.858 -15.341   9.457
  460    HA   ASP  65           HA       ASP  65  -8.307 -12.395   9.280
  461   1HB   ASP  65          HB2       ASP  65  -6.801 -12.266  11.208
  462   2HB   ASP  65          HB3       ASP  65  -8.349 -13.045  11.531
  463    HA   PRO  66           HA       PRO  66  -4.994 -13.793   6.381
  464   1HB   PRO  66          HB2       PRO  66  -5.280 -11.794   4.469
  465   2HB   PRO  66          HB3       PRO  66  -6.268 -13.275   4.531
  466   1HG   PRO  66          HG2       PRO  66  -6.940 -10.570   5.687
  467   2HG   PRO  66          HG3       PRO  66  -7.970 -11.616   4.662
  468   1HD   PRO  66          HD2       PRO  66  -8.268 -11.589   7.309
  469   2HD   PRO  66          HD3       PRO  66  -8.307 -13.161   6.461
  470    H    CYS  67           H        CYS  67  -2.945 -13.379   6.168
  471    HA   CYS  67           HA       CYS  67  -1.670 -11.162   7.546
  472   1HB   CYS  67          HB2       CYS  67  -0.721 -13.405   7.449
  473   2HB   CYS  67          HB3       CYS  67  -0.667 -13.349   5.692
  474    H    ASN  68           H        ASN  68  -2.563  -9.374   6.478
  475    HA   ASN  68           HA       ASN  68  -2.988  -8.746   3.888
  476   1HB   ASN  68          HB2       ASN  68  -3.436  -7.184   5.705
  477   2HB   ASN  68          HB3       ASN  68  -1.702  -6.953   5.978
  478   1HD2  ASN  68          1HD2      ASN  68  -3.474  -5.159   2.710
  479   2HD2  ASN  68          2HD2      ASN  68  -4.288  -6.505   3.487
  480    H    LYS  69           H        LYS  69   0.252  -8.632   5.398
  481    HA   LYS  69           HA       LYS  69   1.770  -7.450   3.442
  482   1HB   LYS  69          HB2       LYS  69   2.573  -8.238   5.662
  483   2HB   LYS  69          HB3       LYS  69   2.592  -9.902   5.042
  484   1HG   LYS  69          HG2       LYS  69   4.221  -9.192   3.270
  485   2HG   LYS  69          HG3       LYS  69   4.182  -7.544   3.920
  486   1HD   LYS  69          HD2       LYS  69   5.073  -8.386   6.080
  487   2HD   LYS  69          HD3       LYS  69   5.079 -10.043   5.427
  488   1HE   LYS  69          HE2       LYS  69   6.664  -9.326   3.639
  489   2HE   LYS  69          HE3       LYS  69   6.669  -7.683   4.306
  490   1HZ   LYS  69          HZ1       LYS  69   7.578  -8.580   6.327
  491   2HZ   LYS  69          HZ2       LYS  69   7.584 -10.102   5.695
  492   3HZ   LYS  69          HZ3       LYS  69   8.541  -8.936   5.039
  493    H    CYS  70           H        CYS  70   0.666 -10.868   3.471
  494    HA   CYS  70           HA       CYS  70   1.677 -11.182   0.649
  495   1HB   CYS  70          HB2       CYS  70   1.806 -13.549   1.093
  496   2HB   CYS  70          HB3       CYS  70   2.804 -12.666   2.248
  497    H    HIS  71           H        HIS  71  -0.877  -9.999   1.759
  498    HA   HIS  71           HA       HIS  71  -3.133 -10.105   1.503
  499   1HB   HIS  71          HB2       HIS  71  -2.289 -11.358  -1.135
  500   2HB   HIS  71          HB3       HIS  71  -3.854 -10.605  -0.802
  501    HD1  HIS  71           HD1      HIS  71  -1.564  -8.282   0.792
  502    HD2  HIS  71           HD2      HIS  71  -2.561  -9.327  -3.169
  503    HE1  HIS  71           HE1      HIS  71  -0.873  -6.327  -0.677
  504    H    GLY  72           H        GLY  72  -2.260 -12.200   3.138
  505   1HA   GLY  72          HA2       GLY  72  -3.081 -14.068   4.075
  506   2HA   GLY  72          HA3       GLY  72  -4.516 -13.914   3.060
  507    H    HIS  73           H        HIS  73  -1.695 -14.216   1.076
  508    HA   HIS  73           HA       HIS  73  -2.577 -16.803   0.150
  509   1HB   HIS  73          HB2       HIS  73  -0.013 -15.239  -0.395
  510   2HB   HIS  73          HB3       HIS  73  -0.495 -16.729  -1.204
  511    HD1  HIS  73           HD1      HIS  73  -3.186 -14.025  -0.624
  512    HD2  HIS  73           HD2      HIS  73  -0.557 -15.488  -3.581
  513    HE1  HIS  73           HE1      HIS  73  -3.929 -13.014  -2.829
  514    H    GLY  74           H        GLY  74   0.418 -15.740   1.730
  515   1HA   GLY  74          HA2       GLY  74   1.138 -16.814   3.799
  516   2HA   GLY  74          HA3       GLY  74   0.676 -18.372   3.146
  517    H    ARG  75           H        ARG  75   1.957 -17.118   0.483
  518    HA   ARG  75           HA       ARG  75   4.793 -17.173   1.162
  519   1HB   ARG  75          HB2       ARG  75   5.252 -18.918  -0.572
  520   2HB   ARG  75          HB3       ARG  75   4.441 -19.499   0.874
  521   1HG   ARG  75          HG2       ARG  75   2.274 -18.943  -0.818
  522   2HG   ARG  75          HG3       ARG  75   3.517 -19.466  -1.942
  523   1HD   ARG  75          HD2       ARG  75   2.176 -21.397  -1.183
  524   2HD   ARG  75          HD3       ARG  75   3.847 -21.544  -0.648
  525    HE   ARG  75           HE       ARG  75   3.161 -21.508   1.532
  526   1HH1  ARG  75          1HH1      ARG  75   1.781 -21.120   3.349
  527   2HH1  ARG  75          2HH1      ARG  75   0.185 -20.495   3.106
  528   1HH2  ARG  75          1HH2      ARG  75   0.526 -20.200  -0.422
  529   2HH2  ARG  75          2HH2      ARG  75  -0.468 -19.798   0.965
  530    H    VAL  76           H        VAL  76   6.058 -16.286  -0.568
  531    HA   VAL  76           HA       VAL  76   4.516 -14.782  -2.627
  532    HB   VAL  76           HB       VAL  76   5.833 -12.765  -2.048
  533   1HG1  VAL  76          1HG1      VAL  76   4.558 -12.085  -0.102
  534   2HG1  VAL  76          2HG1      VAL  76   3.531 -13.091  -1.140
  535   3HG1  VAL  76          3HG1      VAL  76   4.238 -13.770   0.345
  536   1HG2  VAL  76          1HG2      VAL  76   6.703 -14.286   0.460
  537   2HG2  VAL  76          2HG2      VAL  76   7.762 -13.836  -0.895
  538   3HG2  VAL  76          3HG2      VAL  76   7.008 -12.581   0.095
  539    H    GLU  77           H        GLU  77   5.945 -13.885  -4.300
  540    HA   GLU  77           HA       GLU  77   7.958 -15.846  -5.077
  541   1HB   GLU  77          HB2       GLU  77   6.350 -14.870  -6.693
  542   2HB   GLU  77          HB3       GLU  77   7.026 -13.260  -6.374
  543   1HG   GLU  77          HG2       GLU  77   9.267 -14.140  -7.253
  544   2HG   GLU  77          HG3       GLU  77   8.420 -15.631  -7.695
  545    H    ARG  78           H        ARG  78  10.153 -15.391  -5.400
  546    HA   ARG  78           HA       ARG  78  11.431 -13.443  -3.643
  547   1HB   ARG  78          HB2       ARG  78  12.219 -15.838  -4.253
  548   2HB   ARG  78          HB3       ARG  78  12.664 -15.175  -5.827
  549   1HG   ARG  78          HG2       ARG  78  13.991 -13.406  -4.266
  550   2HG   ARG  78          HG3       ARG  78  13.862 -14.722  -3.098
  551   1HD   ARG  78          HD2       ARG  78  15.908 -15.117  -4.174
  552   2HD   ARG  78          HD3       ARG  78  14.829 -16.240  -4.985
  553    HE   ARG  78           HE       ARG  78  15.775 -13.563  -5.988
  554   1HH1  ARG  78          1HH1      ARG  78  16.081 -13.291  -8.196
  555   2HH1  ARG  78          2HH1      ARG  78  15.438 -14.458  -9.337
  556   1HH2  ARG  78          1HH2      ARG  78  14.495 -16.835  -6.885
  557   2HH2  ARG  78          2HH2      ARG  78  14.696 -16.457  -8.569
  558    H    SER  79           H        SER  79   9.813 -11.920  -5.201
  559    HA   SER  79           HA       SER  79  10.703 -11.213  -7.768
  560   1HB   SER  79          HB2       SER  79   9.282  -9.455  -5.730
  561   2HB   SER  79          HB3       SER  79   9.244  -9.284  -7.497
  562    HG   SER  79           HG       SER  79   8.273 -11.407  -7.559
  Start of MODEL   11
    1    H    GLY   1           H        GLY   1  20.551 -11.178 -11.666
    2   1HA   GLY   1          HA2       GLY   1  18.776 -10.488  -9.402
    3   2HA   GLY   1          HA3       GLY   1  18.032 -11.075 -10.905
    4    H    VAL   2           H        VAL   2  20.958 -11.883  -9.031
    5    HA   VAL   2           HA       VAL   2  21.286 -14.507  -9.658
    6    HB   VAL   2           HB       VAL   2  22.438 -14.817  -7.510
    7   1HG1  VAL   2          1HG1      VAL   2  24.163 -13.151  -7.918
    8   2HG1  VAL   2          2HG1      VAL   2  23.530 -13.747  -9.460
    9   3HG1  VAL   2          3HG1      VAL   2  23.044 -12.148  -8.858
   10   1HG2  VAL   2          1HG2      VAL   2  22.700 -12.883  -5.974
   11   2HG2  VAL   2          2HG2      VAL   2  21.407 -12.021  -6.825
   12   3HG2  VAL   2          3HG2      VAL   2  21.061 -13.529  -5.947
   13    H    THR   3           H        THR   3  19.056 -13.304  -7.152
   14    HA   THR   3           HA       THR   3  18.175 -15.660  -5.969
   15    HB   THR   3           HB       THR   3  16.047 -14.141  -5.764
   16    HG1  THR   3           HG1      THR   3  16.431 -12.004  -6.374
   17   1HG2  THR   3          1HG2      THR   3  17.727 -14.390  -3.963
   18   2HG2  THR   3          2HG2      THR   3  18.756 -13.166  -4.741
   19   3HG2  THR   3          3HG2      THR   3  17.170 -12.710  -4.085
   20    H    LYS   4           H        LYS   4  17.221 -14.189  -9.063
   21    HA   LYS   4           HA       LYS   4  15.099 -16.204  -9.488
   22   1HB   LYS   4          HB2       LYS   4  14.832 -13.732 -10.002
   23   2HB   LYS   4          HB3       LYS   4  16.006 -13.947 -11.316
   24   1HG   LYS   4          HG2       LYS   4  14.518 -15.634 -12.366
   25   2HG   LYS   4          HG3       LYS   4  13.403 -15.514 -10.992
   26   1HD   LYS   4          HD2       LYS   4  12.994 -13.112 -11.537
   27   2HD   LYS   4          HD3       LYS   4  14.138 -13.226 -12.883
   28   1HE   LYS   4          HE2       LYS   4  11.851 -13.396 -13.726
   29   2HE   LYS   4          HE3       LYS   4  12.694 -14.933 -13.978
   30   1HZ   LYS   4          HZ1       LYS   4  10.482 -15.228 -13.124
   31   2HZ   LYS   4          HZ2       LYS   4  11.588 -15.783 -12.037
   32   3HZ   LYS   4          HZ3       LYS   4  10.831 -14.342 -11.779
   33    H    GLU   5           H        GLU   5  18.358 -15.307 -10.587
   34    HA   GLU   5           HA       GLU   5  18.437 -17.006 -12.849
   35   1HB   GLU   5          HB2       GLU   5  20.702 -16.093 -11.066
   36   2HB   GLU   5          HB3       GLU   5  20.919 -16.863 -12.637
   37   1HG   GLU   5          HG2       GLU   5  19.997 -15.041 -13.839
   38   2HG   GLU   5          HG3       GLU   5  19.247 -14.329 -12.416
   39    H    ILE   6           H        ILE   6  19.172 -17.619  -9.570
   40    HA   ILE   6           HA       ILE   6  20.096 -20.355  -9.930
   41    HB   ILE   6           HB       ILE   6  19.594 -20.774  -7.577
   42   1HG1  ILE   6          2HG1      ILE   6  18.430 -17.977  -7.572
   43   2HG1  ILE   6          3HG1      ILE   6  17.594 -19.485  -7.185
   44   1HG2  ILE   6          1HG2      ILE   6  21.055 -18.149  -8.011
   45   2HG2  ILE   6          2HG2      ILE   6  21.320 -19.332  -6.710
   46   3HG2  ILE   6          3HG2      ILE   6  21.709 -19.757  -8.377
   47   1HD1  ILE   6          1HD1      ILE   6  18.052 -18.381  -5.130
   48   2HD1  ILE   6          2HD1      ILE   6  19.155 -19.768  -5.226
   49   3HD1  ILE   6          3HD1      ILE   6  19.751 -18.121  -5.545
   50    H    ARG   7           H        ARG   7  18.949 -22.110 -10.545
   51    HA   ARG   7           HA       ARG   7  16.186 -21.748 -11.272
   52   1HB   ARG   7          HB2       ARG   7  17.955 -24.202 -11.403
   53   2HB   ARG   7          HB3       ARG   7  16.421 -23.973 -12.243
   54   1HG   ARG   7          HG2       ARG   7  17.365 -22.788 -13.907
   55   2HG   ARG   7          HG3       ARG   7  18.167 -21.678 -12.817
   56   1HD   ARG   7          HD2       ARG   7  19.177 -24.385 -13.752
   57   2HD   ARG   7          HD3       ARG   7  19.831 -22.807 -14.185
   58    HE   ARG   7           HE       ARG   7  20.353 -24.386 -11.813
   59   1HH1  ARG   7          1HH1      ARG   7  22.161 -23.779 -10.606
   60   2HH1  ARG   7          2HH1      ARG   7  22.729 -22.133 -10.612
   61   1HH2  ARG   7          1HH2      ARG   7  20.185 -20.947 -12.754
   62   2HH2  ARG   7          2HH2      ARG   7  21.687 -20.557 -11.988
   63    H    ILE   8           H        ILE   8  15.890 -21.260  -8.795
   64    HA   ILE   8           HA       ILE   8  14.617 -23.640  -7.526
   65    HB   ILE   8           HB       ILE   8  15.985 -21.257  -6.200
   66   1HG1  ILE   8          2HG1      ILE   8  16.784 -24.204  -6.359
   67   2HG1  ILE   8          3HG1      ILE   8  17.631 -22.837  -7.102
   68   1HG2  ILE   8          1HG2      ILE   8  13.955 -22.075  -4.980
   69   2HG2  ILE   8          2HG2      ILE   8  14.668 -23.701  -4.935
   70   3HG2  ILE   8          3HG2      ILE   8  15.434 -22.345  -4.077
   71   1HD1  ILE   8          1HD1      ILE   8  18.023 -21.893  -4.799
   72   2HD1  ILE   8          2HD1      ILE   8  17.414 -23.430  -4.135
   73   3HD1  ILE   8          3HD1      ILE   8  18.856 -23.420  -5.158
   74    HA   PRO   9           HA       PRO   9  11.010 -21.102  -8.541
   75   1HB   PRO   9          HB2       PRO   9  10.126 -22.178  -5.843
   76   2HB   PRO   9          HB3       PRO   9   9.138 -21.936  -7.315
   77   1HG   PRO   9          HG2       PRO   9  10.120 -24.402  -6.770
   78   2HG   PRO   9          HG3       PRO   9  10.269 -23.754  -8.431
   79   1HD   PRO   9          HD2       PRO   9  12.385 -23.878  -6.279
   80   2HD   PRO   9          HD3       PRO   9  12.520 -24.201  -8.035
   81    H    THR  10           H        THR  10  11.249 -18.917  -8.363
   82    HA   THR  10           HA       THR  10  12.632 -17.670  -6.292
   83    HB   THR  10           HB       THR  10  10.944 -16.237  -8.342
   84    HG1  THR  10           HG1      THR  10  13.278 -17.795  -8.762
   85   1HG2  THR  10          1HG2      THR  10  13.015 -14.858  -8.496
   86   2HG2  THR  10          2HG2      THR  10  12.364 -14.871  -6.851
   87   3HG2  THR  10          3HG2      THR  10  13.778 -15.871  -7.251
   88    H    LEU  11           H        LEU  11  11.008 -18.670  -4.593
   89    HA   LEU  11           HA       LEU  11   9.300 -16.445  -3.630
   90   1HB   LEU  11          HB2       LEU  11   8.559 -19.366  -3.998
   91   2HB   LEU  11          HB3       LEU  11   7.689 -18.333  -2.865
   92    HG   LEU  11           HG       LEU  11   7.970 -17.409  -5.736
   93   1HD1  LEU  11          1HD1      LEU  11   7.171 -19.700  -5.965
   94   2HD1  LEU  11          2HD1      LEU  11   5.888 -19.388  -4.768
   95   3HD1  LEU  11          3HD1      LEU  11   5.896 -18.517  -6.321
   96   1HD2  LEU  11          1HD2      LEU  11   6.977 -15.953  -3.935
   97   2HD2  LEU  11          2HD2      LEU  11   5.865 -16.299  -5.264
   98   3HD2  LEU  11          3HD2      LEU  11   5.704 -17.151  -3.713
   99    H    GLU  12           H        GLU  12   8.871 -16.613  -1.340
  100    HA   GLU  12           HA       GLU  12  10.604 -18.353   0.311
  101   1HB   GLU  12          HB2       GLU  12  10.344 -15.318   0.635
  102   2HB   GLU  12          HB3       GLU  12  11.183 -16.425   1.733
  103   1HG   GLU  12          HG2       GLU  12  12.743 -17.019  -0.171
  104   2HG   GLU  12          HG3       GLU  12  11.942 -15.751  -1.122
  105    H    GLU  13           H        GLU  13   9.618 -18.655   2.432
  106    HA   GLU  13           HA       GLU  13   6.740 -18.410   2.401
  107   1HB   GLU  13          HB2       GLU  13   6.738 -19.625   4.369
  108   2HB   GLU  13          HB3       GLU  13   8.101 -20.280   3.475
  109   1HG   GLU  13          HG2       GLU  13   8.186 -18.361   5.861
  110   2HG   GLU  13          HG3       GLU  13   8.636 -20.062   5.844
  111    H    CYS  14           H        CYS  14   5.440 -16.971   3.634
  112    HA   CYS  14           HA       CYS  14   6.741 -14.420   4.285
  113   1HB   CYS  14          HB2       CYS  14   4.533 -14.516   3.186
  114   2HB   CYS  14          HB3       CYS  14   3.893 -15.314   4.621
  115    H    ASP  15           H        ASP  15   8.112 -14.946   5.962
  116    HA   ASP  15           HA       ASP  15   7.742 -16.431   8.254
  117   1HB   ASP  15          HB2       ASP  15   9.515 -15.163   9.243
  118   2HB   ASP  15          HB3       ASP  15   9.869 -15.321   7.518
  119    H    VAL  16           H        VAL  16   6.624 -13.151   7.613
  120    HA   VAL  16           HA       VAL  16   5.782 -12.294  10.121
  121    HB   VAL  16           HB       VAL  16   4.401 -11.822   7.451
  122   1HG1  VAL  16          1HG1      VAL  16   4.330 -10.238  10.034
  123   2HG1  VAL  16          2HG1      VAL  16   3.673  -9.696   8.472
  124   3HG1  VAL  16          3HG1      VAL  16   2.979 -11.110   9.262
  125   1HG2  VAL  16          1HG2      VAL  16   5.771  -9.701   7.479
  126   2HG2  VAL  16          2HG2      VAL  16   6.692 -10.363   8.839
  127   3HG2  VAL  16          3HG2      VAL  16   6.741 -11.158   7.249
  128    H    CYS  17           H        CYS  17   3.969 -14.385   7.790
  129    HA   CYS  17           HA       CYS  17   2.017 -15.028   9.986
  130   1HB   CYS  17          HB2       CYS  17   0.624 -15.959   8.211
  131   2HB   CYS  17          HB3       CYS  17   0.868 -14.216   8.107
  132    H    HIS  18           H        HIS  18   4.860 -16.008   9.515
  133    HA   HIS  18           HA       HIS  18   6.029 -17.902   9.721
  134   1HB   HIS  18          HB2       HIS  18   3.562 -19.145  10.921
  135   2HB   HIS  18          HB3       HIS  18   5.245 -19.320  11.427
  136    HD1  HIS  18           HD1      HIS  18   5.729 -16.022  11.598
  137    HD2  HIS  18           HD2      HIS  18   2.404 -18.179  13.017
  138    HE1  HIS  18           HE1      HIS  18   4.569 -14.540  13.310
  139    H    GLY  19           H        GLY  19   4.758 -17.531   7.201
  140   1HA   GLY  19          HA2       GLY  19   4.650 -18.680   5.242
  141   2HA   GLY  19          HA3       GLY  19   5.072 -20.171   6.085
  142    H    SER  20           H        SER  20   2.295 -18.991   7.674
  143    HA   SER  20           HA       SER  20   0.705 -21.065   6.360
  144   1HB   SER  20          HB2       SER  20  -1.041 -20.475   7.904
  145   2HB   SER  20          HB3       SER  20   0.464 -20.776   8.768
  146    HG   SER  20           HG       SER  20   0.675 -18.530   9.058
  147    H    GLY  21           H        GLY  21  -0.087 -17.742   7.096
  148   1HA   GLY  21          HA2       GLY  21  -0.586 -16.328   4.875
  149   2HA   GLY  21          HA3       GLY  21  -1.892 -17.510   4.765
  150    H    ALA  22           H        ALA  22  -1.788 -17.504   7.965
  151    HA   ALA  22           HA       ALA  22  -3.811 -15.370   8.196
  152   1HB   ALA  22          HB1       ALA  22  -4.345 -16.434  10.296
  153   2HB   ALA  22          HB2       ALA  22  -4.271 -17.658   9.020
  154   3HB   ALA  22          HB3       ALA  22  -2.920 -17.491  10.167
  155    H    LYS  23           H        LYS  23  -3.494 -13.471   9.385
  156    HA   LYS  23           HA       LYS  23  -0.912 -12.569   9.635
  157   1HB   LYS  23          HB2       LYS  23  -1.803 -10.599  10.897
  158   2HB   LYS  23          HB3       LYS  23  -2.604 -11.028   9.397
  159   1HG   LYS  23          HG2       LYS  23  -4.261 -10.334  10.850
  160   2HG   LYS  23          HG3       LYS  23  -4.434 -12.080  10.738
  161   1HD   LYS  23          HD2       LYS  23  -3.344 -12.330  12.952
  162   2HD   LYS  23          HD3       LYS  23  -3.001 -10.593  13.006
  163   1HE   LYS  23          HE2       LYS  23  -5.448 -10.126  13.001
  164   2HE   LYS  23          HE3       LYS  23  -5.775 -11.870  12.940
  165   1HZ   LYS  23          HZ1       LYS  23  -4.364 -10.482  15.104
  166   2HZ   LYS  23          HZ2       LYS  23  -5.919 -11.024  15.151
  167   3HZ   LYS  23          HZ3       LYS  23  -4.676 -12.100  15.034
  168    HA   PRO  24           HA       PRO  24   1.762 -13.801  12.689
  169   1HB   PRO  24          HB2       PRO  24   1.115 -11.191  14.078
  170   2HB   PRO  24          HB3       PRO  24   2.698 -12.022  13.994
  171   1HG   PRO  24          HG2       PRO  24   1.908 -10.064  12.202
  172   2HG   PRO  24          HG3       PRO  24   2.986 -11.402  11.747
  173   1HD   PRO  24          HD2       PRO  24   0.289 -10.909  10.845
  174   2HD   PRO  24          HD3       PRO  24   1.368 -12.226  10.339
  175    H    GLY  25           H        GLY  25   1.633 -15.326  14.213
  176   1HA   GLY  25          HA2       GLY  25   1.111 -16.423  16.128
  177   2HA   GLY  25          HA3       GLY  25   0.344 -14.958  16.750
  178    H    THR  26           H        THR  26  -1.665 -14.638  14.776
  179    HA   THR  26           HA       THR  26  -3.684 -16.431  15.786
  180    HB   THR  26           HB       THR  26  -3.855 -14.429  13.513
  181    HG1  THR  26           HG1      THR  26  -2.944 -13.462  15.373
  182   1HG2  THR  26          1HG2      THR  26  -5.856 -15.865  13.824
  183   2HG2  THR  26          2HG2      THR  26  -5.920 -15.397  15.542
  184   3HG2  THR  26          3HG2      THR  26  -6.183 -14.180  14.274
  185    H    GLN  27           H        GLN  27  -2.732 -18.449  15.100
  186    HA   GLN  27           HA       GLN  27  -2.005 -19.144  12.515
  187   1HB   GLN  27          HB2       GLN  27  -2.498 -21.507  13.227
  188   2HB   GLN  27          HB3       GLN  27  -1.554 -20.604  14.410
  189   1HG   GLN  27          HG2       GLN  27  -3.288 -20.539  15.955
  190   2HG   GLN  27          HG3       GLN  27  -4.565 -20.632  14.746
  191   1HE2  GLN  27          1HE2      GLN  27  -4.478 -24.199  14.424
  192   2HE2  GLN  27          2HE2      GLN  27  -4.772 -22.747  13.477
  193    HA   PRO  28           HA       PRO  28  -5.737 -19.525  10.052
  194   1HB   PRO  28          HB2       PRO  28  -5.384 -21.852   8.742
  195   2HB   PRO  28          HB3       PRO  28  -4.503 -20.350   8.294
  196   1HG   PRO  28          HG2       PRO  28  -3.503 -22.622  10.042
  197   2HG   PRO  28          HG3       PRO  28  -2.665 -21.873   8.656
  198   1HD   PRO  28          HD2       PRO  28  -2.084 -21.068  11.132
  199   2HD   PRO  28          HD3       PRO  28  -2.363 -19.813   9.899
  200    H    GLN  29           H        GLN  29  -7.748 -20.767  10.181
  201    HA   GLN  29           HA       GLN  29  -7.818 -22.598  12.541
  202   1HB   GLN  29          HB2       GLN  29 -10.068 -21.420  10.879
  203   2HB   GLN  29          HB3       GLN  29 -10.218 -22.346  12.382
  204   1HG   GLN  29          HG2       GLN  29  -8.872 -19.611  12.057
  205   2HG   GLN  29          HG3       GLN  29 -10.423 -19.960  12.824
  206   1HE2  GLN  29          1HE2      GLN  29  -7.056 -20.389  15.038
  207   2HE2  GLN  29          2HE2      GLN  29  -6.905 -19.836  13.387
  208    H    THR  30           H        THR  30  -7.510 -24.746  12.188
  209    HA   THR  30           HA       THR  30  -7.118 -25.971   9.765
  210    HB   THR  30           HB       THR  30  -8.445 -27.225  12.231
  211    HG1  THR  30           HG1      THR  30  -5.709 -26.557  11.835
  212   1HG2  THR  30          1HG2      THR  30  -8.094 -28.798  10.391
  213   2HG2  THR  30          2HG2      THR  30  -6.385 -28.309  10.254
  214   3HG2  THR  30          3HG2      THR  30  -6.966 -29.146  11.710
  215    H    CYS  31           H        CYS  31  -8.561 -26.458   8.055
  216    HA   CYS  31           HA       CYS  31 -11.297 -25.774   8.209
  217   1HB   CYS  31          HB2       CYS  31 -10.015 -25.923   6.097
  218   2HB   CYS  31          HB3       CYS  31  -9.931 -27.669   6.300
  219    HA   PRO  32           HA       PRO  32 -12.310 -29.553  10.493
  220   1HB   PRO  32          HB2       PRO  32 -14.909 -29.098  11.115
  221   2HB   PRO  32          HB3       PRO  32 -13.550 -28.193  11.858
  222   1HG   PRO  32          HG2       PRO  32 -15.276 -27.302   9.525
  223   2HG   PRO  32          HG3       PRO  32 -14.883 -26.389  11.009
  224   1HD   PRO  32          HD2       PRO  32 -13.480 -26.076   8.692
  225   2HD   PRO  32          HD3       PRO  32 -12.683 -25.973  10.287
  226    H    THR  33           H        THR  33 -14.251 -28.304   7.732
  227    HA   THR  33           HA       THR  33 -15.809 -30.405   7.055
  228    HB   THR  33           HB       THR  33 -14.229 -28.862   4.982
  229    HG1  THR  33           HG1      THR  33 -16.297 -27.788   6.594
  230   1HG2  THR  33          1HG2      THR  33 -16.426 -28.654   3.898
  231   2HG2  THR  33          2HG2      THR  33 -16.033 -30.360   4.189
  232   3HG2  THR  33          3HG2      THR  33 -17.197 -29.527   5.241
  233    H    CYS  34           H        CYS  34 -12.297 -30.117   6.418
  234    HA   CYS  34           HA       CYS  34 -12.289 -32.927   5.334
  235   1HB   CYS  34          HB2       CYS  34 -10.217 -32.261   4.203
  236   2HB   CYS  34          HB3       CYS  34 -11.638 -31.417   3.605
  237    H    HIS  35           H        HIS  35 -12.025 -31.660   8.191
  238    HA   HIS  35           HA       HIS  35 -10.730 -31.881  10.051
  239   1HB   HIS  35          HB2       HIS  35 -10.048 -34.569   8.788
  240   2HB   HIS  35          HB3       HIS  35  -9.934 -34.143  10.496
  241    HD1  HIS  35           HD1      HIS  35 -13.157 -32.738   9.651
  242    HD2  HIS  35           HD2      HIS  35 -11.570 -36.616  10.072
  243    HE1  HIS  35           HE1      HIS  35 -15.126 -34.290  10.073
  244    H    GLY  36           H        GLY  36  -9.415 -30.253   8.313
  245   1HA   GLY  36          HA2       GLY  36  -7.316 -29.330   8.093
  246   2HA   GLY  36          HA3       GLY  36  -6.621 -30.657   9.032
  247    H    SER  37           H        SER  37  -7.237 -32.876   7.467
  248    HA   SER  37           HA       SER  37  -5.282 -33.431   5.872
  249   1HB   SER  37          HB2       SER  37  -8.006 -34.117   4.826
  250   2HB   SER  37          HB3       SER  37  -6.577 -35.160   4.970
  251    HG   SER  37           HG       SER  37  -8.444 -34.284   6.912
  252    H    GLY  38           H        GLY  38  -8.060 -31.618   4.557
  253   1HA   GLY  38          HA2       GLY  38  -7.824 -29.946   2.871
  254   2HA   GLY  38          HA3       GLY  38  -6.412 -30.756   2.221
  255    H    GLN  39           H        GLN  39  -8.901 -33.098   2.792
  256    HA   GLN  39           HA       GLN  39  -9.996 -32.710   0.061
  257   1HB   GLN  39          HB2       GLN  39  -9.499 -34.775  -0.684
  258   2HB   GLN  39          HB3       GLN  39  -8.039 -34.413   0.227
  259   1HG   GLN  39          HG2       GLN  39 -10.362 -36.209   1.110
  260   2HG   GLN  39          HG3       GLN  39  -8.813 -36.722   0.470
  261   1HE2  GLN  39          1HE2      GLN  39  -9.100 -35.767   4.431
  262   2HE2  GLN  39          2HE2      GLN  39 -10.419 -35.367   3.341
  263    H    VAL  40           H        VAL  40 -12.007 -33.644  -0.371
  264    HA   VAL  40           HA       VAL  40 -13.683 -34.351   2.004
  265    HB   VAL  40           HB       VAL  40 -15.564 -33.327   0.722
  266   1HG1  VAL  40          1HG1      VAL  40 -14.489 -32.102   2.551
  267   2HG1  VAL  40          2HG1      VAL  40 -13.309 -31.413   1.418
  268   3HG1  VAL  40          3HG1      VAL  40 -15.029 -30.995   1.273
  269   1HG2  VAL  40          1HG2      VAL  40 -14.507 -33.390  -1.548
  270   2HG2  VAL  40          2HG2      VAL  40 -15.160 -31.801  -1.125
  271   3HG2  VAL  40          3HG2      VAL  40 -13.412 -32.082  -1.056
  272    H    GLN  41           H        GLN  41 -15.446 -35.815   1.442
  273    HA   GLN  41           HA       GLN  41 -14.806 -37.554  -0.874
  274   1HB   GLN  41          HB2       GLN  41 -14.353 -38.618   1.305
  275   2HB   GLN  41          HB3       GLN  41 -16.048 -38.389   1.758
  276   1HG   GLN  41          HG2       GLN  41 -16.769 -39.767  -0.166
  277   2HG   GLN  41          HG3       GLN  41 -15.108 -40.007  -0.681
  278   1HE2  GLN  41          1HE2      GLN  41 -14.392 -42.142   2.259
  279   2HE2  GLN  41          2HE2      GLN  41 -13.650 -40.747   1.507
  280    H    MET  42           H        MET  42 -16.163 -36.996  -2.462
  281    HA   MET  42           HA       MET  42 -18.934 -36.195  -1.965
  282   1HB   MET  42          HB2       MET  42 -17.901 -35.248  -3.859
  283   2HB   MET  42          HB3       MET  42 -17.320 -36.810  -4.459
  284   1HG   MET  42          HG2       MET  42 -19.284 -35.781  -5.668
  285   2HG   MET  42          HG3       MET  42 -19.453 -37.466  -5.183
  286   1HE   MET  42          HE1       MET  42 -22.005 -37.428  -5.692
  287   2HE   MET  42          HE2       MET  42 -23.130 -36.218  -5.030
  288   3HE   MET  42          HE3       MET  42 -21.881 -35.723  -6.198
  289    H    ARG  43           H        ARG  43 -19.766 -37.778  -0.781
  290    HA   ARG  43           HA       ARG  43 -19.776 -40.629  -1.483
  291   1HB   ARG  43          HB2       ARG  43 -19.357 -40.088   0.802
  292   2HB   ARG  43          HB3       ARG  43 -20.640 -38.885   0.837
  293   1HG   ARG  43          HG2       ARG  43 -21.270 -40.772   2.159
  294   2HG   ARG  43          HG3       ARG  43 -22.381 -40.567   0.817
  295   1HD   ARG  43          HD2       ARG  43 -21.876 -42.924   1.233
  296   2HD   ARG  43          HD3       ARG  43 -21.269 -42.470  -0.373
  297    HE   ARG  43           HE       ARG  43 -19.165 -42.090   1.468
  298   1HH1  ARG  43          1HH1      ARG  43 -17.413 -43.431   1.230
  299   2HH1  ARG  43          2HH1      ARG  43 -17.608 -45.124   0.803
  300   1HH2  ARG  43          1HH2      ARG  43 -21.137 -44.816   0.323
  301   2HH2  ARG  43          2HH2      ARG  43 -19.777 -45.823  -0.034
  302    H    GLN  44           H        GLN  44 -21.371 -41.480  -2.756
  303    HA   GLN  44           HA       GLN  44 -24.062 -40.168  -2.766
  304   1HB   GLN  44          HB2       GLN  44 -24.378 -41.086  -5.001
  305   2HB   GLN  44          HB3       GLN  44 -23.237 -39.766  -4.921
  306   1HG   GLN  44          HG2       GLN  44 -22.426 -42.704  -5.073
  307   2HG   GLN  44          HG3       GLN  44 -22.695 -41.691  -6.485
  308   1HE2  GLN  44          1HE2      GLN  44 -19.664 -39.736  -4.791
  309   2HE2  GLN  44          2HE2      GLN  44 -21.357 -39.486  -4.441
  310    H    GLY  45           H        GLY  45 -23.661 -41.564  -0.721
  311   1HA   GLY  45          HA2       GLY  45 -24.573 -43.220   0.539
  312   2HA   GLY  45          HA3       GLY  45 -25.547 -43.700  -0.855
  313    H    PHE  46           H        PHE  46 -24.385 -44.991  -2.539
  314    HA   PHE  46           HA       PHE  46 -22.965 -47.210  -1.205
  315   1HB   PHE  46          HB2       PHE  46 -23.230 -48.327  -3.437
  316   2HB   PHE  46          HB3       PHE  46 -24.693 -47.964  -2.544
  317    HD1  PHE  46           HD1      PHE  46 -26.200 -46.053  -3.232
  318    HD2  PHE  46           HD2      PHE  46 -23.012 -47.560  -5.716
  319    HE1  PHE  46           HE1      PHE  46 -27.115 -44.813  -5.168
  320    HE2  PHE  46           HE2      PHE  46 -23.964 -46.361  -7.655
  321    HZ   PHE  46           HZ       PHE  46 -25.993 -44.950  -7.381
  322    H    PHE  47           H        PHE  47 -22.383 -45.407  -4.268
  323    HA   PHE  47           HA       PHE  47 -19.483 -45.969  -4.015
  324   1HB   PHE  47          HB2       PHE  47 -21.036 -44.395  -6.095
  325   2HB   PHE  47          HB3       PHE  47 -19.326 -44.790  -6.182
  326    HD1  PHE  47           HD1      PHE  47 -21.319 -45.336  -8.338
  327    HD2  PHE  47           HD2      PHE  47 -19.872 -47.822  -5.109
  328    HE1  PHE  47           HE1      PHE  47 -21.827 -47.371  -9.655
  329    HE2  PHE  47           HE2      PHE  47 -20.388 -49.828  -6.430
  330    HZ   PHE  47           HZ       PHE  47 -21.385 -49.621  -8.696
  331    H    ALA  48           H        ALA  48 -17.907 -44.200  -4.262
  332    HA   ALA  48           HA       ALA  48 -18.698 -41.541  -3.533
  333   1HB   ALA  48          HB1       ALA  48 -17.114 -43.245  -1.549
  334   2HB   ALA  48          HB2       ALA  48 -17.424 -41.500  -1.416
  335   3HB   ALA  48          HB3       ALA  48 -18.772 -42.645  -1.327
  336    H    VAL  49           H        VAL  49 -16.878 -40.094  -3.686
  337    HA   VAL  49           HA       VAL  49 -14.274 -41.226  -4.499
  338    HB   VAL  49           HB       VAL  49 -14.098 -39.593  -6.371
  339   1HG1  VAL  49          1HG1      VAL  49 -14.604 -41.980  -6.626
  340   2HG1  VAL  49          2HG1      VAL  49 -16.345 -41.605  -6.657
  341   3HG1  VAL  49          3HG1      VAL  49 -15.278 -40.993  -7.949
  342   1HG2  VAL  49          1HG2      VAL  49 -15.853 -37.994  -5.766
  343   2HG2  VAL  49          2HG2      VAL  49 -16.144 -38.655  -7.382
  344   3HG2  VAL  49          3HG2      VAL  49 -17.112 -39.228  -6.010
  345    H    GLN  50           H        GLN  50 -12.615 -39.431  -4.539
  346    HA   GLN  50           HA       GLN  50 -13.233 -37.492  -2.383
  347   1HB   GLN  50          HB2       GLN  50 -10.901 -39.387  -2.738
  348   2HB   GLN  50          HB3       GLN  50 -10.830 -37.968  -1.644
  349   1HG   GLN  50          HG2       GLN  50 -12.930 -38.719  -0.573
  350   2HG   GLN  50          HG3       GLN  50 -12.910 -40.202  -1.544
  351   1HE2  GLN  50          1HE2      GLN  50  -9.722 -41.083   0.384
  352   2HE2  GLN  50          2HE2      GLN  50  -9.953 -40.563  -1.278
  353    H    GLN  51           H        GLN  51 -12.497 -35.476  -2.549
  354    HA   GLN  51           HA       GLN  51 -10.722 -34.795  -4.825
  355   1HB   GLN  51          HB2       GLN  51 -13.074 -33.004  -4.611
  356   2HB   GLN  51          HB3       GLN  51 -12.225 -33.623  -6.019
  357   1HG   GLN  51          HG2       GLN  51 -14.389 -34.483  -6.241
  358   2HG   GLN  51          HG3       GLN  51 -13.512 -35.865  -5.599
  359   1HE2  GLN  51          1HE2      GLN  51 -16.238 -33.850  -3.213
  360   2HE2  GLN  51          2HE2      GLN  51 -15.455 -32.997  -4.533
  361    H    THR  52           H        THR  52 -10.005 -32.510  -4.712
  362    HA   THR  52           HA       THR  52  -8.991 -31.781  -2.243
  363    HB   THR  52           HB       THR  52  -9.690 -29.956  -4.597
  364    HG1  THR  52           HG1      THR  52  -7.523 -31.773  -4.353
  365   1HG2  THR  52          1HG2      THR  52  -7.499 -28.917  -4.053
  366   2HG2  THR  52          2HG2      THR  52  -8.643 -28.817  -2.700
  367   3HG2  THR  52          3HG2      THR  52  -7.330 -30.024  -2.668
  368    H    CYS  53           H        CYS  53  -9.734 -30.417  -0.551
  369    HA   CYS  53           HA       CYS  53 -12.556 -29.904  -0.393
  370   1HB   CYS  53          HB2       CYS  53 -11.132 -30.370   1.566
  371   2HB   CYS  53          HB3       CYS  53 -10.291 -28.842   1.310
  372    HA   PRO  54           HA       PRO  54 -11.989 -26.019  -2.708
  373   1HB   PRO  54          HB2       PRO  54 -14.585 -25.183  -2.893
  374   2HB   PRO  54          HB3       PRO  54 -13.914 -26.530  -3.859
  375   1HG   PRO  54          HG2       PRO  54 -15.516 -26.727  -1.297
  376   2HG   PRO  54          HG3       PRO  54 -15.754 -27.633  -2.816
  377   1HD   PRO  54          HD2       PRO  54 -14.378 -28.679  -0.715
  378   2HD   PRO  54          HD3       PRO  54 -13.894 -29.013  -2.402
  379    H    HIS  55           H        HIS  55 -13.998 -26.252   0.234
  380    HA   HIS  55           HA       HIS  55 -14.299 -23.653   0.977
  381   1HB   HIS  55          HB2       HIS  55 -15.164 -25.734   2.106
  382   2HB   HIS  55          HB3       HIS  55 -13.599 -25.886   2.916
  383    HD1  HIS  55           HD1      HIS  55 -13.812 -22.410   3.216
  384    HD2  HIS  55           HD2      HIS  55 -16.128 -25.592   4.712
  385    HE1  HIS  55           HE1      HIS  55 -15.063 -21.516   5.263
  386    H    CYS  56           H        CYS  56 -11.300 -25.515   1.283
  387    HA   CYS  56           HA       CYS  56  -9.860 -23.037   2.175
  388   1HB   CYS  56          HB2       CYS  56  -8.356 -24.512   3.446
  389   2HB   CYS  56          HB3       CYS  56 -10.000 -24.533   4.071
  390    H    GLN  57           H        GLN  57 -10.417 -24.242  -0.535
  391    HA   GLN  57           HA       GLN  57  -9.332 -24.907  -2.437
  392   1HB   GLN  57          HB2       GLN  57  -7.407 -22.812  -1.342
  393   2HB   GLN  57          HB3       GLN  57  -7.493 -23.325  -3.031
  394   1HG   GLN  57          HG2       GLN  57  -9.806 -22.002  -1.533
  395   2HG   GLN  57          HG3       GLN  57  -8.644 -21.174  -2.567
  396   1HE2  GLN  57          1HE2      GLN  57 -11.683 -23.252  -4.309
  397   2HE2  GLN  57          2HE2      GLN  57 -11.485 -23.275  -2.561
  398    H    GLY  58           H        GLY  58  -8.837 -26.872  -0.615
  399   1HA   GLY  58          HA2       GLY  58  -7.493 -28.719  -0.385
  400   2HA   GLY  58          HA3       GLY  58  -6.459 -28.074  -1.670
  401    H    ARG  59           H        ARG  59  -6.308 -25.617   0.532
  402    HA   ARG  59           HA       ARG  59  -3.646 -26.360   1.337
  403   1HB   ARG  59          HB2       ARG  59  -5.421 -24.184   2.486
  404   2HB   ARG  59          HB3       ARG  59  -3.652 -24.318   2.577
  405   1HG   ARG  59          HG2       ARG  59  -3.469 -23.933   0.146
  406   2HG   ARG  59          HG3       ARG  59  -5.230 -23.929   0.001
  407   1HD   ARG  59          HD2       ARG  59  -4.926 -21.705   0.080
  408   2HD   ARG  59          HD3       ARG  59  -5.120 -21.971   1.804
  409    HE   ARG  59           HE       ARG  59  -2.762 -21.139   0.287
  410   1HH1  ARG  59          1HH1      ARG  59  -1.165 -19.992   1.475
  411   2HH1  ARG  59          2HH1      ARG  59  -1.010 -20.300   3.177
  412   1HH2  ARG  59          1HH2      ARG  59  -3.655 -22.570   3.477
  413   2HH2  ARG  59          2HH2      ARG  59  -2.326 -21.775   4.253
  414    H    GLY  60           H        GLY  60  -6.813 -26.682   2.758
  415   1HA   GLY  60          HA2       GLY  60  -7.395 -28.168   4.558
  416   2HA   GLY  60          HA3       GLY  60  -5.701 -28.181   5.041
  417    H    THR  61           H        THR  61  -5.968 -25.025   4.618
  418    HA   THR  61           HA       THR  61  -6.643 -24.459   7.453
  419    HB   THR  61           HB       THR  61  -5.002 -22.545   6.832
  420    HG1  THR  61           HG1      THR  61  -5.404 -22.867   4.592
  421   1HG2  THR  61          1HG2      THR  61  -4.376 -24.624   8.108
  422   2HG2  THR  61          2HG2      THR  61  -3.937 -25.395   6.566
  423   3HG2  THR  61          3HG2      THR  61  -3.046 -23.962   7.122
  424    H    LEU  62           H        LEU  62  -8.169 -22.980   7.917
  425    HA   LEU  62           HA       LEU  62  -9.328 -21.266   5.777
  426   1HB   LEU  62          HB2       LEU  62 -10.280 -21.814   8.607
  427   2HB   LEU  62          HB3       LEU  62 -11.068 -20.764   7.435
  428    HG   LEU  62           HG       LEU  62 -10.624 -23.755   7.047
  429   1HD1  LEU  62          1HD1      LEU  62 -12.183 -23.307   8.894
  430   2HD1  LEU  62          2HD1      LEU  62 -13.106 -22.186   7.869
  431   3HD1  LEU  62          3HD1      LEU  62 -13.069 -23.918   7.482
  432   1HD2  LEU  62          1HD2      LEU  62 -12.304 -21.735   5.486
  433   2HD2  LEU  62          2HD2      LEU  62 -10.840 -22.535   4.884
  434   3HD2  LEU  62          3HD2      LEU  62 -12.276 -23.498   5.221
  435    H    ILE  63           H        ILE  63  -7.952 -19.680   5.483
  436    HA   ILE  63           HA       ILE  63  -6.650 -18.205   7.680
  437    HB   ILE  63           HB       ILE  63  -6.580 -18.108   4.649
  438   1HG1  ILE  63          2HG1      ILE  63  -4.318 -18.558   6.624
  439   2HG1  ILE  63          3HG1      ILE  63  -5.398 -19.896   6.214
  440   1HG2  ILE  63          1HG2      ILE  63  -6.232 -15.804   5.223
  441   2HG2  ILE  63          2HG2      ILE  63  -5.284 -16.231   6.663
  442   3HG2  ILE  63          3HG2      ILE  63  -4.631 -16.477   5.030
  443   1HD1  ILE  63          1HD1      ILE  63  -4.831 -19.861   3.931
  444   2HD1  ILE  63          2HD1      ILE  63  -3.909 -18.352   4.083
  445   3HD1  ILE  63          3HD1      ILE  63  -3.328 -19.823   4.889
  446    H    LYS  64           H        LYS  64  -8.826 -17.912   8.616
  447    HA   LYS  64           HA       LYS  64 -10.784 -16.256   7.414
  448   1HB   LYS  64          HB2       LYS  64 -11.673 -15.932   9.639
  449   2HB   LYS  64          HB3       LYS  64 -11.284 -17.631   9.336
  450   1HG   LYS  64          HG2       LYS  64  -9.208 -17.427  10.659
  451   2HG   LYS  64          HG3       LYS  64  -9.513 -15.718  10.947
  452   1HD   LYS  64          HD2       LYS  64 -11.308 -18.017  11.840
  453   2HD   LYS  64          HD3       LYS  64 -10.139 -17.172  12.864
  454   1HE   LYS  64          HE2       LYS  64 -12.681 -16.006  11.639
  455   2HE   LYS  64          HE3       LYS  64 -12.356 -16.340  13.339
  456   1HZ   LYS  64          HZ1       LYS  64 -10.967 -14.351  11.690
  457   2HZ   LYS  64          HZ2       LYS  64 -12.078 -14.048  12.866
  458   3HZ   LYS  64          HZ3       LYS  64 -10.615 -14.692  13.266
  459    H    ASP  65           H        ASP  65  -7.751 -15.444   8.899
  460    HA   ASP  65           HA       ASP  65  -8.253 -12.501   8.737
  461   1HB   ASP  65          HB2       ASP  65  -6.739 -12.336  10.650
  462   2HB   ASP  65          HB3       ASP  65  -8.183 -13.269  11.028
  463    HA   PRO  66           HA       PRO  66  -5.038 -13.876   5.663
  464   1HB   PRO  66          HB2       PRO  66  -6.080 -11.320   4.423
  465   2HB   PRO  66          HB3       PRO  66  -5.566 -12.815   3.598
  466   1HG   PRO  66          HG2       PRO  66  -8.196 -12.328   3.975
  467   2HG   PRO  66          HG3       PRO  66  -7.555 -13.959   4.334
  468   1HD   PRO  66          HD2       PRO  66  -8.132 -11.715   6.286
  469   2HD   PRO  66          HD3       PRO  66  -8.548 -13.447   6.367
  470    H    CYS  67           H        CYS  67  -2.940 -13.380   5.690
  471    HA   CYS  67           HA       CYS  67  -1.876 -11.026   7.030
  472   1HB   CYS  67          HB2       CYS  67  -0.787 -13.201   7.132
  473   2HB   CYS  67          HB3       CYS  67  -0.600 -13.226   5.383
  474    H    ASN  68           H        ASN  68  -2.798  -9.368   5.845
  475    HA   ASN  68           HA       ASN  68  -3.090  -8.783   3.252
  476   1HB   ASN  68          HB2       ASN  68  -2.834  -6.445   3.739
  477   2HB   ASN  68          HB3       ASN  68  -3.651  -7.250   5.084
  478   1HD2  ASN  68          1HD2      ASN  68  -0.959  -4.855   6.314
  479   2HD2  ASN  68          2HD2      ASN  68  -2.265  -4.658   5.161
  480    H    LYS  69           H        LYS  69   0.060  -8.391   4.887
  481    HA   LYS  69           HA       LYS  69   1.662  -7.292   2.981
  482   1HB   LYS  69          HB2       LYS  69   2.349  -7.992   5.262
  483   2HB   LYS  69          HB3       LYS  69   2.437  -9.673   4.703
  484   1HG   LYS  69          HG2       LYS  69   4.159  -8.989   3.008
  485   2HG   LYS  69          HG3       LYS  69   4.054  -7.325   3.606
  486   1HD   LYS  69          HD2       LYS  69   4.832  -8.095   5.839
  487   2HD   LYS  69          HD3       LYS  69   4.905  -9.766   5.233
  488   1HE   LYS  69          HE2       LYS  69   6.572  -9.063   3.512
  489   2HE   LYS  69          HE3       LYS  69   6.506  -7.402   4.129
  490   1HZ   LYS  69          HZ1       LYS  69   7.402  -9.761   5.631
  491   2HZ   LYS  69          HZ2       LYS  69   8.364  -8.586   4.995
  492   3HZ   LYS  69          HZ3       LYS  69   7.326  -8.222   6.221
  493    H    CYS  70           H        CYS  70   0.658 -10.729   3.056
  494    HA   CYS  70           HA       CYS  70   1.834 -11.124   0.307
  495   1HB   CYS  70          HB2       CYS  70   2.117 -13.452   0.931
  496   2HB   CYS  70          HB3       CYS  70   2.996 -12.412   2.051
  497    H    HIS  71           H        HIS  71  -0.885 -10.137   1.327
  498    HA   HIS  71           HA       HIS  71  -3.113 -10.493   1.034
  499   1HB   HIS  71          HB2       HIS  71  -2.122 -11.764  -1.545
  500   2HB   HIS  71          HB3       HIS  71  -3.757 -11.167  -1.243
  501    HD1  HIS  71           HD1      HIS  71  -1.639  -8.572   0.222
  502    HD2  HIS  71           HD2      HIS  71  -2.677  -9.849  -3.661
  503    HE1  HIS  71           HE1      HIS  71  -1.171  -6.623  -1.340
  504    H    GLY  72           H        GLY  72  -1.957 -12.357   2.714
  505   1HA   GLY  72          HA2       GLY  72  -2.358 -14.309   3.754
  506   2HA   GLY  72          HA3       GLY  72  -3.931 -14.362   2.948
  507    H    HIS  73           H        HIS  73  -1.241 -14.456   0.703
  508    HA   HIS  73           HA       HIS  73  -1.877 -17.168  -0.082
  509   1HB   HIS  73          HB2       HIS  73   0.491 -15.368  -0.759
  510   2HB   HIS  73          HB3       HIS  73   0.137 -16.920  -1.518
  511    HD1  HIS  73           HD1      HIS  73  -2.803 -14.495  -0.935
  512    HD2  HIS  73           HD2      HIS  73  -0.099 -15.743  -3.921
  513    HE1  HIS  73           HE1      HIS  73  -3.695 -13.619  -3.144
  514    H    GLY  74           H        GLY  74   0.538 -15.621   1.861
  515   1HA   GLY  74          HA2       GLY  74   1.629 -16.409   3.724
  516   2HA   GLY  74          HA3       GLY  74   1.273 -18.070   3.322
  517    H    ARG  75           H        ARG  75   2.575 -16.189   0.684
  518    HA   ARG  75           HA       ARG  75   5.370 -16.599   1.374
  519   1HB   ARG  75          HB2       ARG  75   5.815 -17.820  -0.767
  520   2HB   ARG  75          HB3       ARG  75   4.975 -18.745   0.465
  521   1HG   ARG  75          HG2       ARG  75   2.952 -17.518  -1.215
  522   2HG   ARG  75          HG3       ARG  75   4.195 -18.199  -2.256
  523   1HD   ARG  75          HD2       ARG  75   2.525 -19.869  -1.900
  524   2HD   ARG  75          HD3       ARG  75   3.983 -20.398  -1.077
  525    HE   ARG  75           HE       ARG  75   1.450 -19.311   0.121
  526   1HH1  ARG  75          1HH1      ARG  75   4.559 -20.940   0.793
  527   2HH1  ARG  75          2HH1      ARG  75   4.078 -21.330   2.426
  528   1HH2  ARG  75          1HH2      ARG  75   0.906 -19.829   2.130
  529   2HH2  ARG  75          2HH2      ARG  75   2.026 -20.583   3.260
  530    H    VAL  76           H        VAL  76   6.778 -15.466  -0.075
  531    HA   VAL  76           HA       VAL  76   5.490 -13.365  -1.744
  532    HB   VAL  76           HB       VAL  76   7.064 -11.720  -0.777
  533   1HG1  VAL  76          1HG1      VAL  76   5.296 -12.982   1.358
  534   2HG1  VAL  76          2HG1      VAL  76   5.859 -11.302   1.293
  535   3HG1  VAL  76          3HG1      VAL  76   4.728 -11.900   0.065
  536   1HG2  VAL  76          1HG2      VAL  76   8.201 -12.156   1.362
  537   2HG2  VAL  76          2HG2      VAL  76   7.690 -13.852   1.325
  538   3HG2  VAL  76          3HG2      VAL  76   8.819 -13.228   0.101
  539    H    GLU  77           H        GLU  77   6.899 -12.551  -3.395
  540    HA   GLU  77           HA       GLU  77   8.506 -14.557  -4.615
  541   1HB   GLU  77          HB2       GLU  77   7.279 -12.886  -5.866
  542   2HB   GLU  77          HB3       GLU  77   8.317 -11.596  -5.196
  543   1HG   GLU  77          HG2       GLU  77  10.300 -12.819  -6.298
  544   2HG   GLU  77          HG3       GLU  77   9.104 -13.859  -7.085
  545    H    ARG  78           H        ARG  78  10.683 -14.887  -4.674
  546    HA   ARG  78           HA       ARG  78  12.339 -13.621  -2.608
  547   1HB   ARG  78          HB2       ARG  78  12.432 -16.098  -3.224
  548   2HB   ARG  78          HB3       ARG  78  13.194 -15.632  -4.737
  549   1HG   ARG  78          HG2       ARG  78  15.080 -14.616  -3.531
  550   2HG   ARG  78          HG3       ARG  78  14.274 -14.861  -1.985
  551   1HD   ARG  78          HD2       ARG  78  16.013 -16.532  -2.347
  552   2HD   ARG  78          HD3       ARG  78  14.437 -17.294  -2.230
  553    HE   ARG  78           HE       ARG  78  16.062 -16.815  -4.715
  554   1HH1  ARG  78          1HH1      ARG  78  15.669 -18.047  -6.509
  555   2HH1  ARG  78          2HH1      ARG  78  14.513 -19.354  -6.499
  556   1HH2  ARG  78          1HH2      ARG  78  13.338 -18.596  -3.207
  557   2HH2  ARG  78          2HH2      ARG  78  13.102 -19.585  -4.611
  558    H    SER  79           H        SER  79  11.656 -11.498  -3.931
  559    HA   SER  79           HA       SER  79  12.890 -10.942  -6.413
  560   1HB   SER  79          HB2       SER  79  12.263  -8.942  -4.201
  561   2HB   SER  79          HB3       SER  79  12.294  -8.647  -5.953
  562    HG   SER  79           HG       SER  79  10.509 -10.092  -6.130
  Start of MODEL   12
    1    H    GLY   1           H        GLY   1  11.786  -1.507  -6.621
    2   1HA   GLY   1          HA2       GLY   1  10.258   0.340  -7.603
    3   2HA   GLY   1          HA3       GLY   1  11.796   1.043  -8.151
    4    H    VAL   2           H        VAL   2  13.306  -0.629  -9.180
    5    HA   VAL   2           HA       VAL   2  12.217  -1.706 -11.564
    6    HB   VAL   2           HB       VAL   2  14.807  -2.411 -10.106
    7   1HG1  VAL   2          1HG1      VAL   2  15.616  -3.067 -12.380
    8   2HG1  VAL   2          2HG1      VAL   2  14.327  -4.120 -11.795
    9   3HG1  VAL   2          3HG1      VAL   2  13.965  -2.868 -13.004
   10   1HG2  VAL   2          1HG2      VAL   2  14.223  -0.378 -12.310
   11   2HG2  VAL   2          2HG2      VAL   2  14.667   0.007 -10.634
   12   3HG2  VAL   2          3HG2      VAL   2  15.834  -0.791 -11.691
   13    H    THR   3           H        THR   3  12.590  -3.029  -8.325
   14    HA   THR   3           HA       THR   3  12.289  -5.752  -8.577
   15    HB   THR   3           HB       THR   3  10.958  -5.358  -6.362
   16    HG1  THR   3           HG1      THR   3  11.199  -3.269  -5.578
   17   1HG2  THR   3          1HG2      THR   3  13.063  -4.811  -5.178
   18   2HG2  THR   3          2HG2      THR   3  13.339  -6.009  -6.452
   19   3HG2  THR   3          3HG2      THR   3  13.809  -4.315  -6.711
   20    H    LYS   4           H        LYS   4   9.787  -3.199  -8.939
   21    HA   LYS   4           HA       LYS   4   7.550  -5.016  -8.951
   22   1HB   LYS   4          HB2       LYS   4   7.806  -2.267 -10.213
   23   2HB   LYS   4          HB3       LYS   4   6.303  -3.132  -9.850
   24   1HG   LYS   4          HG2       LYS   4   6.991  -3.133  -7.402
   25   2HG   LYS   4          HG3       LYS   4   8.308  -2.036  -7.823
   26   1HD   LYS   4          HD2       LYS   4   5.309  -1.562  -8.110
   27   2HD   LYS   4          HD3       LYS   4   6.423  -0.735  -7.018
   28   1HE   LYS   4          HE2       LYS   4   6.308  -0.500 -10.064
   29   2HE   LYS   4          HE3       LYS   4   5.878   0.732  -8.877
   30   1HZ   LYS   4          HZ1       LYS   4   8.577  -0.366  -9.282
   31   2HZ   LYS   4          HZ2       LYS   4   8.036   1.105  -9.795
   32   3HZ   LYS   4          HZ3       LYS   4   8.155   0.791  -8.182
   33    H    GLU   5           H        GLU   5   9.836  -3.957 -11.428
   34    HA   GLU   5           HA       GLU   5   8.200  -5.016 -13.612
   35   1HB   GLU   5          HB2       GLU   5  10.888  -3.610 -13.584
   36   2HB   GLU   5          HB3       GLU   5  10.064  -4.170 -15.047
   37   1HG   GLU   5          HG2       GLU   5   8.859  -2.161 -13.081
   38   2HG   GLU   5          HG3       GLU   5   9.691  -1.742 -14.581
   39    H    ILE   6           H        ILE   6  11.076  -5.810 -11.969
   40    HA   ILE   6           HA       ILE   6  11.527  -8.197 -13.670
   41    HB   ILE   6           HB       ILE   6  13.283  -8.841 -12.087
   42   1HG1  ILE   6          2HG1      ILE   6  13.239  -6.109 -10.838
   43   2HG1  ILE   6          3HG1      ILE   6  12.170  -7.339 -10.163
   44   1HG2  ILE   6          1HG2      ILE   6  14.839  -7.047 -12.799
   45   2HG2  ILE   6          2HG2      ILE   6  13.764  -7.556 -14.109
   46   3HG2  ILE   6          3HG2      ILE   6  13.455  -6.032 -13.255
   47   1HD1  ILE   6          1HD1      ILE   6  14.087  -8.853  -9.820
   48   2HD1  ILE   6          2HD1      ILE   6  15.181  -7.631 -10.509
   49   3HD1  ILE   6          3HD1      ILE   6  14.326  -7.304  -8.989
   50    H    ARG   7           H        ARG   7   9.231  -8.769 -13.388
   51    HA   ARG   7           HA       ARG   7   8.382 -10.017 -10.892
   52   1HB   ARG   7          HB2       ARG   7   7.160  -9.956 -13.673
   53   2HB   ARG   7          HB3       ARG   7   6.401 -10.676 -12.238
   54   1HG   ARG   7          HG2       ARG   7   6.522  -8.526 -11.046
   55   2HG   ARG   7          HG3       ARG   7   7.282  -7.762 -12.451
   56   1HD   ARG   7          HD2       ARG   7   4.548  -9.084 -12.581
   57   2HD   ARG   7          HD3       ARG   7   4.758  -7.399 -12.123
   58    HE   ARG   7           HE       ARG   7   5.077  -8.584 -14.784
   59   1HH1  ARG   7          1HH1      ARG   7   5.144  -7.118 -16.531
   60   2HH1  ARG   7          2HH1      ARG   7   5.517  -5.435 -16.263
   61   1HH2  ARG   7          1HH2      ARG   7   5.898  -4.648 -14.093
   62   2HH2  ARG   7          2HH2      ARG   7   5.993  -5.787 -12.785
   63    H    ILE   8           H        ILE   8  10.609 -11.180 -11.080
   64    HA   ILE   8           HA       ILE   8  10.525 -13.723 -12.527
   65    HB   ILE   8           HB       ILE   8  12.680 -12.829 -12.254
   66   1HG1  ILE   8          2HG1      ILE   8  12.394 -15.062 -10.211
   67   2HG1  ILE   8          3HG1      ILE   8  12.586 -15.203 -11.966
   68   1HG2  ILE   8          1HG2      ILE   8  13.651 -12.328  -9.900
   69   2HG2  ILE   8          2HG2      ILE   8  12.603 -11.169 -10.673
   70   3HG2  ILE   8          3HG2      ILE   8  11.958 -12.208  -9.397
   71   1HD1  ILE   8          1HD1      ILE   8  14.807 -14.029 -11.763
   72   2HD1  ILE   8          2HD1      ILE   8  14.668 -14.244  -9.996
   73   3HD1  ILE   8          3HD1      ILE   8  14.695 -15.652 -11.056
   74    HA   PRO   9           HA       PRO   9   7.920 -15.406  -9.275
   75   1HB   PRO   9          HB2       PRO   9   7.868 -18.046  -9.868
   76   2HB   PRO   9          HB3       PRO   9   7.161 -16.799 -10.927
   77   1HG   PRO   9          HG2       PRO   9   9.928 -18.017 -11.154
   78   2HG   PRO   9          HG3       PRO   9   8.672 -17.931 -12.428
   79   1HD   PRO   9          HD2       PRO   9  10.622 -16.077 -12.278
   80   2HD   PRO   9          HD3       PRO   9   8.952 -15.577 -12.656
   81    H    THR  10           H        THR  10  10.377 -14.646  -8.177
   82    HA   THR  10           HA       THR  10  11.688 -16.907  -6.930
   83    HB   THR  10           HB       THR  10  12.105 -14.163  -5.811
   84    HG1  THR  10           HG1      THR  10  12.195 -13.198  -7.594
   85   1HG2  THR  10          1HG2      THR  10  13.624 -16.107  -5.429
   86   2HG2  THR  10          2HG2      THR  10  13.939 -16.157  -7.184
   87   3HG2  THR  10          3HG2      THR  10  14.430 -14.741  -6.235
   88    H    LEU  11           H        LEU  11   9.572 -17.797  -6.163
   89    HA   LEU  11           HA       LEU  11   8.049 -16.359  -4.205
   90   1HB   LEU  11          HB2       LEU  11   8.106 -19.356  -4.630
   91   2HB   LEU  11          HB3       LEU  11   6.875 -18.408  -3.781
   92    HG   LEU  11           HG       LEU  11   7.516 -18.421  -6.749
   93   1HD1  LEU  11          1HD1      LEU  11   5.153 -19.035  -6.960
   94   2HD1  LEU  11          2HD1      LEU  11   5.994 -20.161  -5.882
   95   3HD1  LEU  11          3HD1      LEU  11   4.937 -18.906  -5.203
   96   1HD2  LEU  11          1HD2      LEU  11   5.688 -16.661  -6.954
   97   2HD2  LEU  11          2HD2      LEU  11   5.893 -16.369  -5.207
   98   3HD2  LEU  11          3HD2      LEU  11   7.235 -16.090  -6.331
   99    H    GLU  12           H        GLU  12   8.432 -15.933  -2.156
  100    HA   GLU  12           HA       GLU  12  10.389 -17.583  -0.602
  101   1HB   GLU  12          HB2       GLU  12   9.908 -14.573  -0.572
  102   2HB   GLU  12          HB3       GLU  12  10.905 -15.452   0.600
  103   1HG   GLU  12          HG2       GLU  12  12.371 -16.259  -1.244
  104   2HG   GLU  12          HG3       GLU  12  11.405 -15.346  -2.411
  105    H    GLU  13           H        GLU  13   9.806 -18.005   1.519
  106    HA   GLU  13           HA       GLU  13   6.988 -18.147   2.007
  107   1HB   GLU  13          HB2       GLU  13   8.836 -19.806   2.722
  108   2HB   GLU  13          HB3       GLU  13   9.246 -18.644   3.994
  109   1HG   GLU  13          HG2       GLU  13   7.809 -20.280   4.971
  110   2HG   GLU  13          HG3       GLU  13   6.819 -18.834   4.784
  111    H    CYS  14           H        CYS  14   5.663 -16.763   3.224
  112    HA   CYS  14           HA       CYS  14   6.828 -14.233   4.098
  113   1HB   CYS  14          HB2       CYS  14   4.598 -14.466   2.985
  114   2HB   CYS  14          HB3       CYS  14   4.037 -15.276   4.440
  115    H    ASP  15           H        ASP  15   8.280 -14.964   5.658
  116    HA   ASP  15           HA       ASP  15   7.933 -16.557   7.890
  117   1HB   ASP  15          HB2       ASP  15   9.766 -15.390   8.890
  118   2HB   ASP  15          HB3       ASP  15  10.070 -15.459   7.151
  119    H    VAL  16           H        VAL  16   6.851 -13.237   7.426
  120    HA   VAL  16           HA       VAL  16   6.116 -12.461   9.994
  121    HB   VAL  16           HB       VAL  16   4.766 -11.882   7.326
  122   1HG1  VAL  16          1HG1      VAL  16   4.530 -10.396   9.961
  123   2HG1  VAL  16          2HG1      VAL  16   3.926  -9.821   8.392
  124   3HG1  VAL  16          3HG1      VAL  16   3.228 -11.274   9.109
  125   1HG2  VAL  16          1HG2      VAL  16   6.946 -10.448   8.908
  126   2HG2  VAL  16          2HG2      VAL  16   7.105 -11.177   7.295
  127   3HG2  VAL  16          3HG2      VAL  16   6.104  -9.742   7.522
  128    H    CYS  17           H        CYS  17   4.230 -14.513   7.696
  129    HA   CYS  17           HA       CYS  17   2.271 -15.093   9.907
  130   1HB   CYS  17          HB2       CYS  17   0.877 -16.039   8.134
  131   2HB   CYS  17          HB3       CYS  17   1.176 -14.312   7.967
  132    H    HIS  18           H        HIS  18   5.135 -16.146   9.275
  133    HA   HIS  18           HA       HIS  18   6.263 -18.069   9.420
  134   1HB   HIS  18          HB2       HIS  18   3.851 -19.265  10.774
  135   2HB   HIS  18          HB3       HIS  18   5.560 -19.471  11.173
  136    HD1  HIS  18           HD1      HIS  18   6.152 -16.215  11.350
  137    HD2  HIS  18           HD2      HIS  18   2.791 -18.225  12.881
  138    HE1  HIS  18           HE1      HIS  18   5.112 -14.679  13.088
  139    H    GLY  19           H        GLY  19   4.805 -17.582   7.016
  140   1HA   GLY  19          HA2       GLY  19   4.465 -18.636   5.045
  141   2HA   GLY  19          HA3       GLY  19   4.943 -20.174   5.788
  142    H    SER  20           H        SER  20   2.353 -19.147   7.698
  143    HA   SER  20           HA       SER  20   0.643 -21.124   6.429
  144   1HB   SER  20          HB2       SER  20  -1.011 -20.488   8.105
  145   2HB   SER  20          HB3       SER  20   0.553 -20.798   8.856
  146    HG   SER  20           HG       SER  20   0.836 -18.570   9.103
  147    H    GLY  21           H        GLY  21   0.211 -17.736   7.085
  148   1HA   GLY  21          HA2       GLY  21  -0.460 -16.206   5.111
  149   2HA   GLY  21          HA3       GLY  21  -1.768 -17.369   4.870
  150    H    ALA  22           H        ALA  22  -1.453 -17.637   8.118
  151    HA   ALA  22           HA       ALA  22  -3.635 -15.769   8.649
  152   1HB   ALA  22          HB1       ALA  22  -2.150 -17.767  10.392
  153   2HB   ALA  22          HB2       ALA  22  -3.583 -16.842  10.881
  154   3HB   ALA  22          HB3       ALA  22  -3.704 -18.016   9.563
  155    H    LYS  23           H        LYS  23  -3.433 -13.870   9.957
  156    HA   LYS  23           HA       LYS  23  -1.034 -12.500   9.854
  157   1HB   LYS  23          HB2       LYS  23  -1.980 -10.913  11.493
  158   2HB   LYS  23          HB3       LYS  23  -3.104 -11.341  10.210
  159   1HG   LYS  23          HG2       LYS  23  -4.384 -12.715  11.612
  160   2HG   LYS  23          HG3       LYS  23  -3.155 -12.813  12.859
  161   1HD   LYS  23          HD2       LYS  23  -4.760 -10.321  12.147
  162   2HD   LYS  23          HD3       LYS  23  -5.042 -11.393  13.523
  163   1HE   LYS  23          HE2       LYS  23  -2.675  -9.524  13.107
  164   2HE   LYS  23          HE3       LYS  23  -3.891  -9.505  14.382
  165   1HZ   LYS  23          HZ1       LYS  23  -1.798 -11.526  14.000
  166   2HZ   LYS  23          HZ2       LYS  23  -1.914 -10.429  15.220
  167   3HZ   LYS  23          HZ3       LYS  23  -3.003 -11.664  15.102
  168    HA   PRO  24           HA       PRO  24   2.127 -13.683  12.548
  169   1HB   PRO  24          HB2       PRO  24   1.547 -11.104  14.045
  170   2HB   PRO  24          HB3       PRO  24   3.142 -11.870  13.761
  171   1HG   PRO  24          HG2       PRO  24   2.278  -9.948  12.060
  172   2HG   PRO  24          HG3       PRO  24   3.008 -11.449  11.426
  173   1HD   PRO  24          HD2       PRO  24   0.139 -10.646  11.493
  174   2HD   PRO  24          HD3       PRO  24   1.002 -11.635  10.279
  175    H    GLY  25           H        GLY  25   2.280 -15.164  14.099
  176   1HA   GLY  25          HA2       GLY  25   1.838 -16.476  15.863
  177   2HA   GLY  25          HA3       GLY  25   1.522 -14.979  16.748
  178    H    THR  26           H        THR  26  -0.724 -15.496  14.118
  179    HA   THR  26           HA       THR  26  -2.778 -16.442  16.084
  180    HB   THR  26           HB       THR  26  -3.200 -14.951  13.495
  181    HG1  THR  26           HG1      THR  26  -1.868 -13.751  15.036
  182   1HG2  THR  26          1HG2      THR  26  -4.892 -15.259  16.019
  183   2HG2  THR  26          2HG2      THR  26  -5.338 -14.331  14.573
  184   3HG2  THR  26          3HG2      THR  26  -5.174 -16.095  14.474
  185    H    GLN  27           H        GLN  27  -3.537 -18.410  15.758
  186    HA   GLN  27           HA       GLN  27  -2.518 -20.064  13.708
  187   1HB   GLN  27          HB2       GLN  27  -3.850 -21.786  14.677
  188   2HB   GLN  27          HB3       GLN  27  -3.256 -20.778  15.995
  189   1HG   GLN  27          HG2       GLN  27  -6.068 -20.834  14.809
  190   2HG   GLN  27          HG3       GLN  27  -5.561 -21.423  16.389
  191   1HE2  GLN  27          1HE2      GLN  27  -7.109 -17.862  16.411
  192   2HE2  GLN  27          2HE2      GLN  27  -7.522 -19.217  15.365
  193    HA   PRO  28           HA       PRO  28  -5.715 -19.360  10.564
  194   1HB   PRO  28          HB2       PRO  28  -5.426 -21.458   8.988
  195   2HB   PRO  28          HB3       PRO  28  -4.117 -20.245   9.069
  196   1HG   PRO  28          HG2       PRO  28  -4.239 -22.877  10.579
  197   2HG   PRO  28          HG3       PRO  28  -2.865 -22.229   9.632
  198   1HD   PRO  28          HD2       PRO  28  -3.065 -21.940  12.345
  199   2HD   PRO  28          HD3       PRO  28  -2.356 -20.649  11.325
  200    H    GLN  29           H        GLN  29  -7.777 -20.576   9.901
  201    HA   GLN  29           HA       GLN  29  -8.750 -22.090  12.296
  202   1HB   GLN  29          HB2       GLN  29  -9.979 -20.361  10.164
  203   2HB   GLN  29          HB3       GLN  29 -10.971 -21.527  11.038
  204   1HG   GLN  29          HG2       GLN  29 -10.799 -19.089  11.969
  205   2HG   GLN  29          HG3       GLN  29 -10.767 -20.469  13.063
  206   1HE2  GLN  29          1HE2      GLN  29  -7.236 -18.363  12.643
  207   2HE2  GLN  29          2HE2      GLN  29  -8.390 -18.291  11.317
  208    H    THR  30           H        THR  30  -8.675 -24.265  12.212
  209    HA   THR  30           HA       THR  30  -8.093 -25.865  10.080
  210    HB   THR  30           HB       THR  30 -10.080 -26.600  12.275
  211    HG1  THR  30           HG1      THR  30  -7.258 -26.308  12.496
  212   1HG2  THR  30          1HG2      THR  30  -8.823 -28.733  12.283
  213   2HG2  THR  30          2HG2      THR  30  -9.524 -28.405  10.690
  214   3HG2  THR  30          3HG2      THR  30  -7.786 -28.142  10.967
  215    H    CYS  31           H        CYS  31  -9.192 -26.411   8.171
  216    HA   CYS  31           HA       CYS  31 -11.779 -25.358   7.660
  217   1HB   CYS  31          HB2       CYS  31 -10.089 -25.883   5.939
  218   2HB   CYS  31          HB3       CYS  31 -10.323 -27.602   6.251
  219    HA   PRO  32           HA       PRO  32 -13.757 -28.774   9.900
  220   1HB   PRO  32          HB2       PRO  32 -16.340 -27.964   9.900
  221   2HB   PRO  32          HB3       PRO  32 -15.066 -27.161  10.873
  222   1HG   PRO  32          HG2       PRO  32 -16.122 -26.280   8.168
  223   2HG   PRO  32          HG3       PRO  32 -15.936 -25.295   9.646
  224   1HD   PRO  32          HD2       PRO  32 -14.043 -25.356   7.679
  225   2HD   PRO  32          HD3       PRO  32 -13.601 -25.192   9.403
  226    H    THR  33           H        THR  33 -14.859 -27.518   6.718
  227    HA   THR  33           HA       THR  33 -16.509 -29.444   5.799
  228    HB   THR  33           HB       THR  33 -14.305 -28.283   4.073
  229    HG1  THR  33           HG1      THR  33 -16.530 -26.903   5.169
  230   1HG2  THR  33          1HG2      THR  33 -16.045 -29.631   2.951
  231   2HG2  THR  33          2HG2      THR  33 -17.309 -28.598   3.648
  232   3HG2  THR  33          3HG2      THR  33 -16.148 -27.923   2.486
  233    H    CYS  34           H        CYS  34 -12.943 -29.710   5.977
  234    HA   CYS  34           HA       CYS  34 -13.155 -32.595   5.137
  235   1HB   CYS  34          HB2       CYS  34 -10.808 -32.335   4.379
  236   2HB   CYS  34          HB3       CYS  34 -11.966 -31.447   3.410
  237    H    HIS  35           H        HIS  35 -13.218 -31.030   7.863
  238    HA   HIS  35           HA       HIS  35 -12.309 -31.207   9.950
  239   1HB   HIS  35          HB2       HIS  35 -11.807 -34.078   9.054
  240   2HB   HIS  35          HB3       HIS  35 -11.890 -33.498  10.716
  241    HD1  HIS  35           HD1      HIS  35 -14.728 -31.852   9.095
  242    HD2  HIS  35           HD2      HIS  35 -13.765 -35.729  10.429
  243    HE1  HIS  35           HE1      HIS  35 -16.928 -33.085   9.404
  244    H    GLY  36           H        GLY  36 -10.514 -29.934   8.366
  245   1HA   GLY  36          HA2       GLY  36  -8.305 -29.279   8.473
  246   2HA   GLY  36          HA3       GLY  36  -7.956 -30.593   9.600
  247    H    SER  37           H        SER  37  -8.623 -32.838   8.082
  248    HA   SER  37           HA       SER  37  -6.528 -33.787   6.942
  249   1HB   SER  37          HB2       SER  37  -9.149 -34.333   5.549
  250   2HB   SER  37          HB3       SER  37  -7.863 -35.459   6.038
  251    HG   SER  37           HG       SER  37  -9.880 -34.210   7.536
  252    H    GLY  38           H        GLY  38  -8.597 -31.659   5.020
  253   1HA   GLY  38          HA2       GLY  38  -7.747 -30.179   3.386
  254   2HA   GLY  38          HA3       GLY  38  -6.380 -31.236   3.088
  255    H    GLN  39           H        GLN  39  -9.166 -33.191   3.008
  256    HA   GLN  39           HA       GLN  39  -9.806 -32.609   0.201
  257   1HB   GLN  39          HB2       GLN  39  -9.379 -34.896  -0.532
  258   2HB   GLN  39          HB3       GLN  39  -7.909 -34.043  -0.077
  259   1HG   GLN  39          HG2       GLN  39  -9.348 -36.183   1.546
  260   2HG   GLN  39          HG3       GLN  39  -7.837 -36.373   0.648
  261   1HE2  GLN  39          1HE2      GLN  39  -5.951 -34.349   3.077
  262   2HE2  GLN  39          2HE2      GLN  39  -6.082 -34.547   1.328
  263    H    VAL  40           H        VAL  40 -11.678 -33.582  -0.532
  264    HA   VAL  40           HA       VAL  40 -13.637 -34.269   1.627
  265    HB   VAL  40           HB       VAL  40 -15.283 -33.289  -0.020
  266   1HG1  VAL  40          1HG1      VAL  40 -13.150 -31.391   1.042
  267   2HG1  VAL  40          2HG1      VAL  40 -14.810 -30.954   0.591
  268   3HG1  VAL  40          3HG1      VAL  40 -14.522 -32.039   1.964
  269   1HG2  VAL  40          1HG2      VAL  40 -13.779 -33.380  -2.061
  270   2HG2  VAL  40          2HG2      VAL  40 -14.509 -31.798  -1.775
  271   3HG2  VAL  40          3HG2      VAL  40 -12.813 -32.076  -1.360
  272    H    GLN  41           H        GLN  41 -14.728 -36.173   1.376
  273    HA   GLN  41           HA       GLN  41 -14.179 -37.801  -1.048
  274   1HB   GLN  41          HB2       GLN  41 -13.238 -38.552   1.034
  275   2HB   GLN  41          HB3       GLN  41 -14.853 -38.654   1.761
  276   1HG   GLN  41          HG2       GLN  41 -15.486 -40.432   0.191
  277   2HG   GLN  41          HG3       GLN  41 -14.009 -40.196  -0.746
  278   1HE2  GLN  41          1HE2      GLN  41 -12.670 -42.912   1.079
  279   2HE2  GLN  41          2HE2      GLN  41 -13.248 -42.350  -0.487
  280    H    MET  42           H        MET  42 -15.827 -37.046  -2.368
  281    HA   MET  42           HA       MET  42 -18.541 -36.752  -1.315
  282   1HB   MET  42          HB2       MET  42 -17.469 -36.458  -4.141
  283   2HB   MET  42          HB3       MET  42 -19.051 -35.923  -3.555
  284   1HG   MET  42          HG2       MET  42 -16.319 -34.862  -2.738
  285   2HG   MET  42          HG3       MET  42 -17.563 -34.030  -3.675
  286   1HE   MET  42          HE1       MET  42 -20.220 -34.710  -1.899
  287   2HE   MET  42          HE2       MET  42 -19.841 -33.135  -2.646
  288   3HE   MET  42          HE3       MET  42 -20.242 -33.231  -0.916
  289    H    ARG  43           H        ARG  43 -18.159 -39.232  -0.752
  290    HA   ARG  43           HA       ARG  43 -20.334 -40.510  -1.664
  291   1HB   ARG  43          HB2       ARG  43 -18.158 -41.069  -3.551
  292   2HB   ARG  43          HB3       ARG  43 -18.954 -42.522  -2.912
  293   1HG   ARG  43          HG2       ARG  43 -21.042 -42.020  -3.736
  294   2HG   ARG  43          HG3       ARG  43 -20.734 -40.300  -3.858
  295   1HD   ARG  43          HD2       ARG  43 -18.978 -40.865  -5.664
  296   2HD   ARG  43          HD3       ARG  43 -19.649 -42.494  -5.654
  297    HE   ARG  43           HE       ARG  43 -21.451 -41.712  -6.860
  298   1HH1  ARG  43          1HH1      ARG  43 -20.759 -37.751  -6.234
  299   2HH1  ARG  43          2HH1      ARG  43 -19.937 -38.909  -5.232
  300   1HH2  ARG  43          1HH2      ARG  43 -22.587 -40.162  -8.074
  301   2HH2  ARG  43          2HH2      ARG  43 -22.329 -38.460  -7.815
  302    H    GLN  44           H        GLN  44 -20.441 -42.869  -0.901
  303    HA   GLN  44           HA       GLN  44 -18.496 -43.674   1.069
  304   1HB   GLN  44          HB2       GLN  44 -19.812 -43.304   3.028
  305   2HB   GLN  44          HB3       GLN  44 -19.671 -41.757   2.190
  306   1HG   GLN  44          HG2       GLN  44 -22.137 -43.561   2.222
  307   2HG   GLN  44          HG3       GLN  44 -21.891 -42.081   3.133
  308   1HE2  GLN  44          1HE2      GLN  44 -23.036 -41.843  -0.788
  309   2HE2  GLN  44          2HE2      GLN  44 -22.520 -43.388  -0.101
  310    H    GLY  45           H        GLY  45 -18.954 -45.819   1.769
  311   1HA   GLY  45          HA2       GLY  45 -19.636 -47.979   1.358
  312   2HA   GLY  45          HA3       GLY  45 -21.253 -47.318   1.661
  313    H    PHE  46           H        PHE  46 -19.015 -46.631  -1.012
  314    HA   PHE  46           HA       PHE  46 -20.153 -48.158  -3.074
  315   1HB   PHE  46          HB2       PHE  46 -22.132 -46.656  -2.693
  316   2HB   PHE  46          HB3       PHE  46 -21.084 -45.253  -2.826
  317    HD1  PHE  46           HD1      PHE  46 -21.459 -48.376  -4.960
  318    HD2  PHE  46           HD2      PHE  46 -21.818 -44.074  -4.739
  319    HE1  PHE  46           HE1      PHE  46 -21.673 -48.256  -7.417
  320    HE2  PHE  46           HE2      PHE  46 -22.072 -43.980  -7.197
  321    HZ   PHE  46           HZ       PHE  46 -21.987 -46.067  -8.542
  322    H    PHE  47           H        PHE  47 -19.495 -45.806  -4.982
  323    HA   PHE  47           HA       PHE  47 -16.604 -46.160  -4.969
  324   1HB   PHE  47          HB2       PHE  47 -18.360 -44.358  -6.666
  325   2HB   PHE  47          HB3       PHE  47 -16.694 -44.819  -6.994
  326    HD1  PHE  47           HD1      PHE  47 -17.483 -47.922  -6.096
  327    HD2  PHE  47           HD2      PHE  47 -18.849 -45.022  -8.995
  328    HE1  PHE  47           HE1      PHE  47 -18.304 -49.740  -7.535
  329    HE2  PHE  47           HE2      PHE  47 -19.640 -46.865 -10.447
  330    HZ   PHE  47           HZ       PHE  47 -19.383 -49.227  -9.715
  331    H    ALA  48           H        ALA  48 -16.452 -45.285  -2.758
  332    HA   ALA  48           HA       ALA  48 -16.910 -42.552  -2.081
  333   1HB   ALA  48          HB1       ALA  48 -14.968 -44.513  -0.837
  334   2HB   ALA  48          HB2       ALA  48 -15.668 -43.051  -0.096
  335   3HB   ALA  48          HB3       ALA  48 -16.709 -44.424  -0.494
  336    H    VAL  49           H        VAL  49 -16.044 -41.688  -4.230
  337    HA   VAL  49           HA       VAL  49 -13.153 -41.445  -4.432
  338    HB   VAL  49           HB       VAL  49 -13.787 -39.946  -6.311
  339   1HG1  VAL  49          1HG1      VAL  49 -13.252 -42.295  -6.550
  340   2HG1  VAL  49          2HG1      VAL  49 -14.948 -42.742  -6.282
  341   3HG1  VAL  49          3HG1      VAL  49 -14.489 -41.827  -7.743
  342   1HG2  VAL  49          1HG2      VAL  49 -16.657 -40.829  -5.912
  343   2HG2  VAL  49          2HG2      VAL  49 -16.040 -39.211  -5.514
  344   3HG2  VAL  49          3HG2      VAL  49 -16.002 -39.799  -7.184
  345    H    GLN  50           H        GLN  50 -12.101 -39.293  -4.574
  346    HA   GLN  50           HA       GLN  50 -13.387 -37.249  -2.954
  347   1HB   GLN  50          HB2       GLN  50 -11.711 -37.376  -1.166
  348   2HB   GLN  50          HB3       GLN  50 -12.185 -39.045  -1.501
  349   1HG   GLN  50          HG2       GLN  50 -10.145 -39.168  -3.036
  350   2HG   GLN  50          HG3       GLN  50  -9.713 -37.555  -2.418
  351   1HE2  GLN  50          1HE2      GLN  50  -9.605 -40.716   0.265
  352   2HE2  GLN  50          2HE2      GLN  50 -10.816 -40.732  -1.003
  353    H    GLN  51           H        GLN  51 -12.131 -35.264  -2.799
  354    HA   GLN  51           HA       GLN  51 -10.043 -34.908  -4.856
  355   1HB   GLN  51          HB2       GLN  51 -12.208 -32.826  -4.823
  356   2HB   GLN  51          HB3       GLN  51 -11.085 -33.282  -6.093
  357   1HG   GLN  51          HG2       GLN  51 -13.154 -33.935  -6.935
  358   2HG   GLN  51          HG3       GLN  51 -12.492 -35.455  -6.347
  359   1HE2  GLN  51          1HE2      GLN  51 -15.572 -33.563  -4.267
  360   2HE2  GLN  51          2HE2      GLN  51 -14.401 -32.613  -5.157
  361    H    THR  52           H        THR  52  -8.989 -32.745  -4.593
  362    HA   THR  52           HA       THR  52  -8.270 -32.134  -1.975
  363    HB   THR  52           HB       THR  52  -8.324 -30.289  -4.416
  364    HG1  THR  52           HG1      THR  52  -6.297 -31.316  -4.864
  365   1HG2  THR  52          1HG2      THR  52  -6.208 -29.421  -3.427
  366   2HG2  THR  52          2HG2      THR  52  -7.595 -29.200  -2.344
  367   3HG2  THR  52          3HG2      THR  52  -6.431 -30.515  -2.039
  368    H    CYS  53           H        CYS  53  -9.112 -30.630  -0.423
  369    HA   CYS  53           HA       CYS  53 -11.852 -29.843  -0.796
  370   1HB   CYS  53          HB2       CYS  53 -10.917 -30.393   1.402
  371   2HB   CYS  53          HB3       CYS  53  -9.871 -28.974   1.304
  372    HA   PRO  54           HA       PRO  54 -10.546 -26.087  -2.999
  373   1HB   PRO  54          HB2       PRO  54 -12.983 -25.000  -3.586
  374   2HB   PRO  54          HB3       PRO  54 -12.325 -26.437  -4.419
  375   1HG   PRO  54          HG2       PRO  54 -14.296 -26.387  -2.121
  376   2HG   PRO  54          HG3       PRO  54 -14.406 -27.311  -3.643
  377   1HD   PRO  54          HD2       PRO  54 -13.471 -28.425  -1.345
  378   2HD   PRO  54          HD3       PRO  54 -12.778 -28.861  -2.935
  379    H    HIS  55           H        HIS  55 -12.964 -26.028  -0.383
  380    HA   HIS  55           HA       HIS  55 -13.119 -23.385   0.259
  381   1HB   HIS  55          HB2       HIS  55 -14.381 -25.317   1.231
  382   2HB   HIS  55          HB3       HIS  55 -12.977 -25.693   2.233
  383    HD1  HIS  55           HD1      HIS  55 -14.864 -25.379   4.244
  384    HD2  HIS  55           HD2      HIS  55 -13.738 -21.951   2.057
  385    HE1  HIS  55           HE1      HIS  55 -15.626 -23.355   5.592
  386    H    CYS  56           H        CYS  56 -10.519 -25.596   1.263
  387    HA   CYS  56           HA       CYS  56  -8.927 -23.287   2.371
  388   1HB   CYS  56          HB2       CYS  56  -7.715 -25.006   3.646
  389   2HB   CYS  56          HB3       CYS  56  -9.399 -24.816   4.118
  390    H    GLN  57           H        GLN  57  -9.232 -24.422  -0.498
  391    HA   GLN  57           HA       GLN  57  -7.922 -25.044  -2.245
  392   1HB   GLN  57          HB2       GLN  57  -5.964 -23.162  -0.868
  393   2HB   GLN  57          HB3       GLN  57  -6.015 -23.580  -2.579
  394   1HG   GLN  57          HG2       GLN  57  -6.983 -21.446  -2.439
  395   2HG   GLN  57          HG3       GLN  57  -8.334 -22.551  -2.697
  396   1HE2  GLN  57          1HE2      GLN  57  -9.988 -21.570   0.304
  397   2HE2  GLN  57          2HE2      GLN  57 -10.031 -22.467  -1.193
  398    H    GLY  58           H        GLY  58  -7.840 -27.069  -0.416
  399   1HA   GLY  58          HA2       GLY  58  -6.693 -29.006  -0.023
  400   2HA   GLY  58          HA3       GLY  58  -5.417 -28.436  -1.109
  401    H    ARG  59           H        ARG  59  -5.440 -26.022   1.215
  402    HA   ARG  59           HA       ARG  59  -3.023 -27.043   2.413
  403   1HB   ARG  59          HB2       ARG  59  -4.849 -24.776   3.290
  404   2HB   ARG  59          HB3       ARG  59  -3.217 -25.095   3.896
  405   1HG   ARG  59          HG2       ARG  59  -2.298 -24.717   1.607
  406   2HG   ARG  59          HG3       ARG  59  -3.925 -24.276   1.050
  407   1HD   ARG  59          HD2       ARG  59  -2.349 -22.906   3.285
  408   2HD   ARG  59          HD3       ARG  59  -2.595 -22.249   1.675
  409    HE   ARG  59           HE       ARG  59  -4.547 -22.453   3.891
  410   1HH1  ARG  59          1HH1      ARG  59  -6.732 -22.033   3.534
  411   2HH1  ARG  59          2HH1      ARG  59  -7.234 -21.313   1.989
  412   1HH2  ARG  59          1HH2      ARG  59  -4.085 -21.508   0.497
  413   2HH2  ARG  59          2HH2      ARG  59  -5.777 -21.063   0.318
  414    H    GLY  60           H        GLY  60  -6.384 -26.819   3.421
  415   1HA   GLY  60          HA2       GLY  60  -7.410 -28.417   4.989
  416   2HA   GLY  60          HA3       GLY  60  -5.857 -28.537   5.818
  417    H    THR  61           H        THR  61  -5.560 -25.491   5.386
  418    HA   THR  61           HA       THR  61  -6.963 -24.639   7.845
  419    HB   THR  61           HB       THR  61  -4.963 -22.950   7.626
  420    HG1  THR  61           HG1      THR  61  -4.546 -23.504   5.459
  421   1HG2  THR  61          1HG2      THR  61  -3.375 -24.543   8.617
  422   2HG2  THR  61          2HG2      THR  61  -4.999 -24.780   9.293
  423   3HG2  THR  61          3HG2      THR  61  -4.368 -25.910   8.070
  424    H    LEU  62           H        LEU  62  -8.313 -22.948   7.773
  425    HA   LEU  62           HA       LEU  62  -8.748 -21.442   5.264
  426   1HB   LEU  62          HB2       LEU  62 -10.291 -21.440   7.888
  427   2HB   LEU  62          HB3       LEU  62 -10.729 -20.556   6.430
  428    HG   LEU  62           HG       LEU  62 -10.522 -23.593   6.573
  429   1HD1  LEU  62          1HD1      LEU  62 -13.003 -23.529   6.597
  430   2HD1  LEU  62          2HD1      LEU  62 -12.309 -22.781   8.050
  431   3HD1  LEU  62          3HD1      LEU  62 -12.955 -21.762   6.743
  432   1HD2  LEU  62          1HD2      LEU  62 -11.783 -21.743   4.491
  433   2HD2  LEU  62          2HD2      LEU  62 -10.271 -22.637   4.271
  434   3HD2  LEU  62          3HD2      LEU  62 -11.785 -23.520   4.460
  435    H    ILE  63           H        ILE  63  -7.729 -19.626   5.000
  436    HA   ILE  63           HA       ILE  63  -6.309 -18.254   7.152
  437    HB   ILE  63           HB       ILE  63  -6.657 -17.582   4.196
  438   1HG1  ILE  63          2HG1      ILE  63  -5.631 -19.806   4.397
  439   2HG1  ILE  63          3HG1      ILE  63  -4.504 -18.607   3.789
  440   1HG2  ILE  63          1HG2      ILE  63  -4.376 -16.443   4.677
  441   2HG2  ILE  63          2HG2      ILE  63  -5.856 -15.642   5.206
  442   3HG2  ILE  63          3HG2      ILE  63  -4.857 -16.516   6.386
  443   1HD1  ILE  63          1HD1      ILE  63  -4.596 -19.681   6.637
  444   2HD1  ILE  63          2HD1      ILE  63  -3.397 -20.052   5.387
  445   3HD1  ILE  63          3HD1      ILE  63  -3.489 -18.414   6.052
  446    H    LYS  64           H        LYS  64  -8.570 -18.155   8.193
  447    HA   LYS  64           HA       LYS  64 -10.540 -16.340   7.240
  448   1HB   LYS  64          HB2       LYS  64 -10.824 -18.106   9.006
  449   2HB   LYS  64          HB3       LYS  64  -9.940 -17.065  10.140
  450   1HG   LYS  64          HG2       LYS  64 -11.675 -15.297   9.829
  451   2HG   LYS  64          HG3       LYS  64 -12.533 -16.353   8.689
  452   1HD   LYS  64          HD2       LYS  64 -12.772 -18.064  10.512
  453   2HD   LYS  64          HD3       LYS  64 -12.012 -16.934  11.647
  454   1HE   LYS  64          HE2       LYS  64 -14.611 -16.454  10.106
  455   2HE   LYS  64          HE3       LYS  64 -14.487 -16.913  11.811
  456   1HZ   LYS  64          HZ1       LYS  64 -14.804 -14.583  11.576
  457   2HZ   LYS  64          HZ2       LYS  64 -13.311 -14.867  12.213
  458   3HZ   LYS  64          HZ3       LYS  64 -13.464 -14.427  10.632
  459    H    ASP  65           H        ASP  65  -7.650 -15.854   9.175
  460    HA   ASP  65           HA       ASP  65  -8.070 -12.911   9.430
  461   1HB   ASP  65          HB2       ASP  65  -6.558 -13.119  11.317
  462   2HB   ASP  65          HB3       ASP  65  -7.973 -14.145  11.510
  463    HA   PRO  66           HA       PRO  66  -4.875 -13.943   6.213
  464   1HB   PRO  66          HB2       PRO  66  -5.380 -11.925   4.389
  465   2HB   PRO  66          HB3       PRO  66  -6.276 -13.465   4.467
  466   1HG   PRO  66          HG2       PRO  66  -7.032 -10.837   5.773
  467   2HG   PRO  66          HG3       PRO  66  -8.054 -11.875   4.729
  468   1HD   PRO  66          HD2       PRO  66  -8.258 -12.061   7.385
  469   2HD   PRO  66          HD3       PRO  66  -8.186 -13.558   6.406
  470    H    CYS  67           H        CYS  67  -2.875 -13.439   6.138
  471    HA   CYS  67           HA       CYS  67  -1.707 -11.127   7.448
  472   1HB   CYS  67          HB2       CYS  67  -0.655 -13.312   7.464
  473   2HB   CYS  67          HB3       CYS  67  -0.625 -13.365   5.703
  474    H    ASN  68           H        ASN  68  -2.630  -9.408   6.324
  475    HA   ASN  68           HA       ASN  68  -3.061  -8.833   3.735
  476   1HB   ASN  68          HB2       ASN  68  -3.498  -7.223   5.507
  477   2HB   ASN  68          HB3       ASN  68  -1.762  -6.994   5.779
  478   1HD2  ASN  68          1HD2      ASN  68  -3.521  -5.268   2.466
  479   2HD2  ASN  68          2HD2      ASN  68  -4.341  -6.593   3.270
  480    H    LYS  69           H        LYS  69   0.185  -8.560   5.226
  481    HA   LYS  69           HA       LYS  69   1.704  -7.483   3.236
  482   1HB   LYS  69          HB2       LYS  69   2.520  -8.162   5.459
  483   2HB   LYS  69          HB3       LYS  69   2.482  -9.863   4.954
  484   1HG   LYS  69          HG2       LYS  69   4.148  -9.380   3.175
  485   2HG   LYS  69          HG3       LYS  69   4.135  -7.665   3.632
  486   1HD   LYS  69          HD2       LYS  69   5.038  -8.229   5.852
  487   2HD   LYS  69          HD3       LYS  69   4.881  -9.959   5.500
  488   1HE   LYS  69          HE2       LYS  69   7.216  -9.258   5.237
  489   2HE   LYS  69          HE3       LYS  69   6.548  -9.782   3.684
  490   1HZ   LYS  69          HZ1       LYS  69   6.239  -7.485   3.112
  491   2HZ   LYS  69          HZ2       LYS  69   6.825  -6.993   4.572
  492   3HZ   LYS  69          HZ3       LYS  69   7.813  -7.767   3.506
  493    H    CYS  70           H        CYS  70   0.644 -10.919   3.372
  494    HA   CYS  70           HA       CYS  70   1.644 -11.287   0.551
  495   1HB   CYS  70          HB2       CYS  70   1.805 -13.638   1.052
  496   2HB   CYS  70          HB3       CYS  70   2.817 -12.744   2.172
  497    H    HIS  71           H        HIS  71  -1.066 -10.348   1.930
  498    HA   HIS  71           HA       HIS  71  -3.308 -10.654   1.618
  499   1HB   HIS  71          HB2       HIS  71  -2.378 -11.920  -0.986
  500   2HB   HIS  71          HB3       HIS  71  -4.009 -11.338  -0.649
  501    HD1  HIS  71           HD1      HIS  71  -1.717  -8.751   0.664
  502    HD2  HIS  71           HD2      HIS  71  -3.190  -9.989  -3.085
  503    HE1  HIS  71           HE1      HIS  71  -1.380  -6.802  -0.932
  504    H    GLY  72           H        GLY  72  -1.929 -12.701   3.152
  505   1HA   GLY  72          HA2       GLY  72  -2.308 -14.752   4.018
  506   2HA   GLY  72          HA3       GLY  72  -3.919 -14.702   3.279
  507    H    HIS  73           H        HIS  73  -1.240 -14.495   1.003
  508    HA   HIS  73           HA       HIS  73  -1.899 -17.126  -0.084
  509   1HB   HIS  73          HB2       HIS  73   0.186 -15.067  -0.906
  510   2HB   HIS  73          HB3       HIS  73  -0.195 -16.548  -1.774
  511    HD1  HIS  73           HD1      HIS  73  -3.215 -14.563  -0.521
  512    HD2  HIS  73           HD2      HIS  73  -0.807 -15.088  -3.941
  513    HE1  HIS  73           HE1      HIS  73  -4.494 -13.569  -2.474
  514    H    GLY  74           H        GLY  74   0.045 -16.239   2.471
  515   1HA   GLY  74          HA2       GLY  74   1.495 -17.561   3.725
  516   2HA   GLY  74          HA3       GLY  74   1.416 -18.821   2.495
  517    H    ARG  75           H        ARG  75   2.333 -17.369   0.258
  518    HA   ARG  75           HA       ARG  75   5.164 -16.707   0.965
  519   1HB   ARG  75          HB2       ARG  75   5.602 -17.437  -1.464
  520   2HB   ARG  75          HB3       ARG  75   5.334 -18.668  -0.240
  521   1HG   ARG  75          HG2       ARG  75   4.250 -19.173  -2.378
  522   2HG   ARG  75          HG3       ARG  75   3.137 -19.146  -1.013
  523   1HD   ARG  75          HD2       ARG  75   2.086 -18.179  -2.941
  524   2HD   ARG  75          HD3       ARG  75   2.273 -16.937  -1.737
  525    HE   ARG  75           HE       ARG  75   4.210 -17.294  -4.004
  526   1HH1  ARG  75          1HH1      ARG  75   3.905 -15.891  -5.782
  527   2HH1  ARG  75          2HH1      ARG  75   3.056 -14.385  -5.578
  528   1HH2  ARG  75          1HH2      ARG  75   2.323 -14.940  -2.176
  529   2HH2  ARG  75          2HH2      ARG  75   1.956 -13.940  -3.558
  530    H    VAL  76           H        VAL  76   6.241 -15.349  -0.713
  531    HA   VAL  76           HA       VAL  76   4.478 -13.322  -1.980
  532    HB   VAL  76           HB       VAL  76   6.035 -11.550  -1.249
  533   1HG1  VAL  76          1HG1      VAL  76   4.819 -13.026   1.108
  534   2HG1  VAL  76          2HG1      VAL  76   5.176 -11.291   1.009
  535   3HG1  VAL  76          3HG1      VAL  76   3.917 -11.990  -0.027
  536   1HG2  VAL  76          1HG2      VAL  76   7.549 -11.898   0.667
  537   2HG2  VAL  76          2HG2      VAL  76   7.231 -13.639   0.634
  538   3HG2  VAL  76          3HG2      VAL  76   8.065 -12.852  -0.724
  539    H    GLU  77           H        GLU  77   5.329 -12.545  -3.930
  540    HA   GLU  77           HA       GLU  77   7.511 -14.165  -5.084
  541   1HB   GLU  77          HB2       GLU  77   5.460 -13.838  -6.391
  542   2HB   GLU  77          HB3       GLU  77   5.687 -12.078  -6.355
  543   1HG   GLU  77          HG2       GLU  77   7.818 -12.297  -7.590
  544   2HG   GLU  77          HG3       GLU  77   7.705 -14.051  -7.505
  545    H    ARG  78           H        ARG  78   9.504 -13.462  -4.446
  546    HA   ARG  78           HA       ARG  78  10.064 -10.640  -4.043
  547   1HB   ARG  78          HB2       ARG  78  11.267 -12.010  -2.672
  548   2HB   ARG  78          HB3       ARG  78  11.695 -13.155  -3.925
  549   1HG   ARG  78          HG2       ARG  78  13.544 -11.653  -3.018
  550   2HG   ARG  78          HG3       ARG  78  13.435 -11.807  -4.766
  551   1HD   ARG  78          HD2       ARG  78  13.914  -9.492  -3.884
  552   2HD   ARG  78          HD3       ARG  78  12.608  -9.604  -5.039
  553    HE   ARG  78           HE       ARG  78  12.155  -9.589  -2.074
  554   1HH1  ARG  78          1HH1      ARG  78  10.587  -8.223  -1.258
  555   2HH1  ARG  78          2HH1      ARG  78   9.721  -7.115  -2.284
  556   1HH2  ARG  78          1HH2      ARG  78  11.402  -8.060  -5.261
  557   2HH2  ARG  78          2HH2      ARG  78  10.185  -7.049  -4.550
  558    H    SER  79           H        SER  79   9.225  -9.891  -5.888
  559    HA   SER  79           HA       SER  79  10.060 -10.513  -8.557
  560   1HB   SER  79          HB2       SER  79   8.702  -8.015  -7.439
  561   2HB   SER  79          HB3       SER  79   8.667  -8.571  -9.116
  562    HG   SER  79           HG       SER  79   7.634 -10.050  -6.881
  Start of MODEL   13
    1    H    GLY   1           H        GLY   1  23.525 -23.016 -16.980
    2   1HA   GLY   1          HA2       GLY   1  21.266 -23.767 -17.399
    3   2HA   GLY   1          HA3       GLY   1  21.889 -24.889 -18.621
    4    H    VAL   2           H        VAL   2  23.360 -24.372 -15.425
    5    HA   VAL   2           HA       VAL   2  23.214 -27.214 -14.807
    6    HB   VAL   2           HB       VAL   2  24.057 -24.863 -13.048
    7   1HG1  VAL   2          1HG1      VAL   2  25.395 -26.586 -11.855
    8   2HG1  VAL   2          2HG1      VAL   2  23.670 -26.943 -11.754
    9   3HG1  VAL   2          3HG1      VAL   2  24.695 -27.848 -12.888
   10   1HG2  VAL   2          1HG2      VAL   2  26.381 -25.478 -13.724
   11   2HG2  VAL   2          2HG2      VAL   2  25.719 -26.618 -14.914
   12   3HG2  VAL