*HEADER    RNA BINDING PROTEIN                     14-SEP-05   2B0G              
*TITLE     SOLUTION STRUCTURE OF DROSOPHILA MELANOGASTER SNF RBD2                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SNF RBD2;                                                  
*COMPND   5 SYNONYM: SNF, U1 SNRNP PROTEIN A, U1-A, SEX DETERMINATION            
*COMPND   6 PROTEIN SNF;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3)PLYSS;                         
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-28(A+)                                
*KEYWDS    SNF RBD2,RNA BINDING, RNA SPLICING, SOLUTION STRUCTURE                
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    G.CUI, C.LI, C.JIN, B.XIA                                             
*REVDAT   1   12-DEC-06 2B0G    0                                                


all.rst0100664000076400007640000307342210307610373010466 0ustar  cgfcgf#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 50., rk3=50.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,28,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=32,36,40,35, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,42,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=48,54,52,53, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,57,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=63,69,67,68, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=59,74,62,63, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=86,80,84,85, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=83,77,81,82, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=80,76,78,79, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=76,88,87,83, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=100,94,98,99, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 7 atoms:  CG N HD2 HD3
 &rst iat=94,90,92,93, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=90,102,101,97, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=104,116,107,108, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=122,128,126,127, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,133,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG2 CG1 HB
 &rst iat=137,141,145,140, &end
#
#  chirality for residue 10 atoms:  CB CD1 HG12 HG13
 &rst iat=139,148,146,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=135,152,138,139, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=156,161,159,160, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=158,163,167,162, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=154,171,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=173,191,176,177, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=197,202,206,201, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=193,210,196,197, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=214,218,222,217, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=212,224,215,216, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=226,238,229,230, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=244,249,253,248, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=240,257,243,244, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=269,263,267,268, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=266,260,264,265, &end
#
#  chirality for residue 17 atoms:  CG N HD2 HD3
 &rst iat=263,259,261,262, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=259,271,270,266, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=275,280,278,279, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=277,283,281,282, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=273,286,276,277, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=292,298,296,297, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=288,301,291,292, &end
#
#  chirality for residue 20 atoms:  CA CG2 OG1 HB
 &rst iat=305,309,313,308, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=303,315,306,307, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=317,329,320,321, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=333,338,336,337, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=335,341,339,340, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=331,344,334,335, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 23 atoms:  CB SD HG2 HG3
 &rst iat=350,356,354,355, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=346,361,349,350, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 24 atoms:  CB SD HG2 HG3
 &rst iat=367,373,371,372, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=363,378,366,367, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=384,389,393,388, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=380,397,383,384, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=399,408,402,403, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 27 atoms:  CB SD HG2 HG3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=410,425,413,414, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=431,436,440,435, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=427,444,430,431, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=446,464,449,450, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=468,473,471,472, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=466,478,469,470, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=480,495,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=499,504,502,503, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=497,515,500,501, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=527,521,525,526, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=524,518,522,523, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=521,517,519,520, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=517,529,528,524, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=531,536,534,535, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=538,556,541,542, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=562,568,566,567, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=558,578,561,562, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=580,593,583,584, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=597,601,605,600, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=595,609,598,599, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  CG NE HD2 HD3
 &rst iat=618,624,622,623, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=611,633,614,615, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=637,642,640,641, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=639,644,648,643, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=635,652,638,639, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=656,660,664,659, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=654,668,657,658, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=680,674,678,679, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=677,671,675,676, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=674,670,672,673, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=670,682,681,677, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=686,691,689,690, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=684,696,687,688, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=700,705,703,704, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=702,708,706,707, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=705,711,709,710, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=698,720,701,702, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=722,737,725,726, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=741,746,744,745, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=739,749,742,743, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=753,757,761,756, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=755,764,762,763, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=751,768,754,755, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=770,778,773,774, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=782,787,785,786, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=780,798,783,784, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=802,806,810,805, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=800,814,803,804, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=818,823,821,822, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=820,826,824,825, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=816,829,819,820, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=831,849,834,835, &end
#
#  chirality for residue 53 atoms:  CA CG2 OG1 HB
 &rst iat=853,857,861,856, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=851,863,854,855, &end
#
#  chirality for residue 54 atoms:  CA CG2 OG1 HB
 &rst iat=867,871,875,870, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=865,877,868,869, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=881,886,884,885, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=883,889,887,888, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=879,892,882,883, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=898,903,907,902, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=894,911,897,898, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=915,920,918,919, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=917,923,921,922, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=913,928,916,917, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=932,937,935,936, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=930,939,933,934, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=943,948,946,947, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=941,953,944,945, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=955,963,958,959, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=965,973,968,969, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=982,988,986,987, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=975,995,978,979, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=1001,1007,1005,1006, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=997,1010,1000,1001, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1012,1020,1015,1016, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1024,1029,1027,1028, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=1026,1031,1035,1030, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1022,1039,1025,1026, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1045,1051,1049,1050, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1041,1056,1044,1045, &end
#
#  chirality for residue 67 atoms:  N C HA2 HA3
 &rst iat=1058,1063,1061,1062, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1065,1083,1068,1069, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1087,1092,1090,1091, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1089,1095,1093,1094, &end
#
#  chirality for residue 69 atoms:  CD NZ HE2 HE3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 69 atoms:  CG CE HD2 HD3
 &rst iat=1092,1098,1096,1097, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1085,1105,1088,1089, &end
#
#  chirality for residue 70 atoms:  CA CG2 CG1 HB
 &rst iat=1109,1113,1117,1112, &end
#
#  chirality for residue 70 atoms:  CB CD1 HG12 HG13
 &rst iat=1111,1120,1118,1119, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1107,1124,1110,1111, &end
#
#  chirality for residue 71 atoms:  CA CG2 OG1 HB
 &rst iat=1128,1132,1136,1131, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1126,1138,1129,1130, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1150,1144,1148,1149, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1147,1141,1145,1146, &end
#
#  chirality for residue 72 atoms:  CG N HD2 HD3
 &rst iat=1144,1140,1142,1143, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1140,1152,1151,1147, &end
#
#  chirality for residue 73 atoms:  CA CG2 OG1 HB
 &rst iat=1156,1160,1164,1159, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1154,1166,1157,1158, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1168,1183,1171,1172, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1185,1193,1188,1189, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 76 atoms:  CB SD HG2 HG3
 &rst iat=1199,1205,1203,1204, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1195,1210,1198,1199, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1216,1222,1220,1221, &end
#
#  chirality for residue 77 atoms:  CD NZ HE2 HE3
 &rst iat=1222,1228,1226,1227, &end
#
#  chirality for residue 77 atoms:  CG CE HD2 HD3
 &rst iat=1219,1225,1223,1224, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1212,1232,1215,1216, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1236,1240,1244,1239, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1238,1247,1245,1246, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1234,1251,1237,1238, &end
#
#  chirality for residue 79 atoms:  CA CG2 OG1 HB
 &rst iat=1255,1259,1263,1258, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1253,1265,1256,1257, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1269,1274,1272,1273, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1267,1285,1270,1271, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1287,1295,1290,1291, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1301,1307,1305,1306, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1307,1313,1311,1312, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1304,1310,1308,1309, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1297,1317,1300,1301, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1321,1326,1324,1325, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1326,1332,1330,1331, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1319,1339,1322,1323, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=61,59,57,46, &end
#
#  trans-omega constraint for residue 7
 &rst iat=100,90,88,86, &end
#
#  trans-omega constraint for residue 8
 &rst iat=106,104,102,100, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,106, &end
#
#  trans-omega constraint for residue 10
 &rst iat=137,135,133,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,137, &end
#
#  trans-omega constraint for residue 12
 &rst iat=175,173,171,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=195,193,191,175, &end
#
#  trans-omega constraint for residue 14
 &rst iat=214,212,210,195, &end
#
#  trans-omega constraint for residue 15
 &rst iat=228,226,224,214, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,228, &end
#
#  trans-omega constraint for residue 17
 &rst iat=269,259,257,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=275,273,271,269, &end
#
#  trans-omega constraint for residue 19
 &rst iat=290,288,286,275, &end
#
#  trans-omega constraint for residue 20
 &rst iat=305,303,301,290, &end
#
#  trans-omega constraint for residue 21
 &rst iat=319,317,315,305, &end
#
#  trans-omega constraint for residue 22
 &rst iat=333,331,329,319, &end
#
#  trans-omega constraint for residue 23
 &rst iat=348,346,344,333, &end
#
#  trans-omega constraint for residue 24
 &rst iat=365,363,361,348, &end
#
#  trans-omega constraint for residue 25
 &rst iat=382,380,378,365, &end
#
#  trans-omega constraint for residue 26
 &rst iat=401,399,397,382, &end
#
#  trans-omega constraint for residue 27
 &rst iat=412,410,408,401, &end
#
#  trans-omega constraint for residue 28
 &rst iat=429,427,425,412, &end
#
#  trans-omega constraint for residue 29
 &rst iat=448,446,444,429, &end
#
#  trans-omega constraint for residue 30
 &rst iat=468,466,464,448, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,468, &end
#
#  trans-omega constraint for residue 32
 &rst iat=499,497,495,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=527,517,515,499, &end
#
#  trans-omega constraint for residue 34
 &rst iat=533,531,529,527, &end
#
#  trans-omega constraint for residue 35
 &rst iat=540,538,536,533, &end
#
#  trans-omega constraint for residue 36
 &rst iat=560,558,556,540, &end
#
#  trans-omega constraint for residue 37
 &rst iat=582,580,578,560, &end
#
#  trans-omega constraint for residue 38
 &rst iat=597,595,593,582, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,611,609,597, &end
#
#  trans-omega constraint for residue 40
 &rst iat=637,635,633,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=656,654,652,637, &end
#
#  trans-omega constraint for residue 42
 &rst iat=680,670,668,656, &end
#
#  trans-omega constraint for residue 43
 &rst iat=686,684,682,680, &end
#
#  trans-omega constraint for residue 44
 &rst iat=700,698,696,686, &end
#
#  trans-omega constraint for residue 45
 &rst iat=724,722,720,700, &end
#
#  trans-omega constraint for residue 46
 &rst iat=741,739,737,724, &end
#
#  trans-omega constraint for residue 47
 &rst iat=753,751,749,741, &end
#
#  trans-omega constraint for residue 48
 &rst iat=772,770,768,753, &end
#
#  trans-omega constraint for residue 49
 &rst iat=782,780,778,772, &end
#
#  trans-omega constraint for residue 50
 &rst iat=802,800,798,782, &end
#
#  trans-omega constraint for residue 51
 &rst iat=818,816,814,802, &end
#
#  trans-omega constraint for residue 52
 &rst iat=833,831,829,818, &end
#
#  trans-omega constraint for residue 53
 &rst iat=853,851,849,833, &end
#
#  trans-omega constraint for residue 54
 &rst iat=867,865,863,853, &end
#
#  trans-omega constraint for residue 55
 &rst iat=881,879,877,867, &end
#
#  trans-omega constraint for residue 56
 &rst iat=896,894,892,881, &end
#
#  trans-omega constraint for residue 57
 &rst iat=915,913,911,896, &end
#
#  trans-omega constraint for residue 58
 &rst iat=932,930,928,915, &end
#
#  trans-omega constraint for residue 59
 &rst iat=943,941,939,932, &end
#
#  trans-omega constraint for residue 60
 &rst iat=957,955,953,943, &end
#
#  trans-omega constraint for residue 61
 &rst iat=967,965,963,957, &end
#
#  trans-omega constraint for residue 62
 &rst iat=977,975,973,967, &end
#
#  trans-omega constraint for residue 63
 &rst iat=999,997,995,977, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1014,1012,1010,999, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1024,1022,1020,1014, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1060,1058,1056,1043, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1067,1065,1063,1060, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1087,1085,1083,1067, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1109,1107,1105,1087, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1128,1126,1124,1109, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1150,1140,1138,1128, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1156,1154,1152,1150, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1170,1168,1166,1156, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1187,1185,1183,1170, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1197,1195,1193,1187, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1214,1212,1210,1197, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1236,1234,1232,1214, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1255,1253,1251,1236, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1269,1267,1265,1255, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1289,1287,1285,1269, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1299,1297,1295,1289, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1321,1319,1317,1299, &end
#
#   43 ASN  HN           42 PRO  HA          2.80    (#      0:20  Unique    2.08, 2.59 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 685, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   70 ILE  HN           70 ILE  HA          3.50    (#      1:20  Unique    2.89, 2.90 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLY  HN           33 PRO  HA          3.50    (#      2:20  Unique    3.26, 3.43 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 532, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           26 SER  HB+         4.50    (#      3:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HB-         4.50    (#      4:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HA          4.50    (#      5:20  Unique    2.81, 2.84 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:6       29 PHE  HA          4.50    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 447, 493, 494,
 &end
#
#    4 GLU  HN            3 THR  HA          3.50    (#      7:20  Unique    2.20, 2.46 A)
 &rst
  ixpk= 7, nxpk= 20, iat=  45,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 HIS  HN           73 THR  HA          4.50    (#      8:20  Unique    3.10, 3.49 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           68 PHE  HA          3.50    (#      9:20  Unique    2.84, 2.86 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HN           68 PHE  HA          3.50    (#     10:20  Unique    2.15, 2.19 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1086,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 THR  HN           79 THR  HA          4.50    (#     11:20  Unique    2.93, 2.96 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HN           79 THR  HA          3.50    (#     12:20  Unique    2.28, 2.37 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1268,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           23 MET  HA          4.50    (#     13:20  Unique    3.12, 3.29 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 400, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           23 MET  HA          3.50    (#     14:20  Unique    2.82, 2.86 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 MET  HN           24 MET  HA          3.50    (#     15:20  Unique    2.84, 2.88 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HN           63 GLU  HA          3.50    (#     16:20  Unique    2.81, 2.82 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 998,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           27 MET  HA          3.50    (#     17:20  Unique    2.81, 2.85 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HN            0 AMB  20-1:18     4.50    (#     18:20  Single Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 882, 897,
 &end
#
#   56 LEU  HN           56 LEU  HA          3.50    (#     19:20  Unique    2.87, 2.89 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HN           59 ASN  HA          2.80    (#     20:20  Unique    2.80, 2.81 A)
 &rst
  ixpk= 20, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ASN  HD2+         59 ASN  HA          4.50    (#     21:20  Unique    4.30, 4.56 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   76 MET  HN           76 MET  HA          3.50    (#     22:20  Unique    2.79, 2.81 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN           76 MET  HA          2.80    (#     23:20  Unique    2.21, 2.25 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1213,1198, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           66 GLN  HA          2.80    (#     24:20  Unique    2.16, 2.18 A)
 &rst
  ixpk= 24, nxpk= 20, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 ALA  HN           74 HIS  HA          2.80    (#     25:20  Unique    2.13, 2.20 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1186,1171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 HIS  HN           74 HIS  HA          4.50    (#     26:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HA          2.80    (#     27:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 LYS  HN           36 LYS  HA          4.50    (#     28:20  Unique    2.97, 2.99 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN           82 LYS  HA          2.80    (#     30:20  Unique    2.23, 2.47 A)
 &rst
  ixpk= 30, nxpk= 20, iat=1320,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 GLN  HE2+         28 LEU  HA          3.50    (#     31:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 493, 494,
 &end
#
#    5 GLN  HN            4 GLU  HA          2.80    (#     32:20  Unique    2.26, 2.37 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  60,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 THR  HN            2 GLN  HA          4.50    (#     34:20  Unique    2.21, 2.39 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  31,  16, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HN           31 GLN  HA          4.50    (#     35:20  Unique    3.46, 3.48 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 498, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 VAL  HN           37 GLU  HA          2.80    (#     36:20  Unique    2.33, 2.43 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 596, 583, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 GLU  HN           60 ALA  HA          3.50    (#     39:20  Unique    3.24, 3.38 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 998, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASN  HN           43 ASN  HA          2.80    (#     40:20  Unique    2.17, 2.65 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HN           43 ASN  HA          4.50    (#     41:20  Unique    3.30, 3.47 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 699, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           64 ALA  HA          4.50    (#     42:20  Unique    3.59, 3.60 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1023,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           65 LEU  HA          4.50    (#     43:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 43, nxpk= 20, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           15 ASN  HA          2.80    (#     44:20  Unique    2.20, 2.21 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ASN  HN           30 ASN  HA          3.50    (#     45:20  Unique    2.78, 2.80 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HN           15 ASN  HA          3.50    (#     46:20  Unique    2.81, 2.88 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 241, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HN            1 ALA  HA          4.50    (#     47:20  Unique    2.20, 2.91 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  14,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HN           48 ALA  HA          2.80    (#     48:20  Unique    2.52, 2.57 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 781, 773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 ALA  HN           48 ALA  HA          4.50    (#     49:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           81 ALA  HA          3.50    (#     50:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1288,1290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 LYS  HN           81 ALA  HA          2.80    (#     51:20  Unique    2.19, 2.36 A)
 &rst
  ixpk= 51, nxpk= 20, iat=1298,1290, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           67 GLY  HA+         3.50    (#     52:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   15 ASN  HN           14 THR  HB          3.50    (#     53:20  Unique    2.32, 2.39 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 227, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HN           53 THR  HA          4.50    (#     54:20  Unique    2.82, 2.84 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 852, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           29 PHE  HA          3.50    (#     55:20  Unique    2.45, 3.41 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 455, 463,
 &end
#
#   32 PHE  HD           29 PHE  HA          3.50    (#     56:20  Unique    2.47, 4.40 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 506, 514,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     3.50    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1042,1013,
 igr2=1044,1000,
 &end
#
#   57 GLN  HN           57 GLN  HA          4.50    (#     58:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           66 GLN  HA          4.50    (#     59:20  Unique    2.83, 2.86 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1042,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HD2-         74 HIS  HA          3.50    (#     60:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   20 THR  HN           19 GLU  HA          4.50    (#     61:20  Unique    3.33, 3.42 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 304, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:62      25 LEU  HA          3.50    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 381, 457, 461,
 &end
#
#   28 LEU  HN           28 LEU  HA          3.50    (#     63:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HN           31 GLN  HA          2.80    (#     65:20  Unique    2.82, 2.82 A)
 &rst
  ixpk= 65, nxpk= 20, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ALA  HN           60 ALA  HA          3.50    (#     66:20  Unique    3.55, 3.55 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 966, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ALA  HN           60 ALA  HA          3.50    (#     67:20  Unique    2.84, 2.84 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  HA          3.50    (#     68:20  Unique    2.83, 2.83 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HB          3.50    (#     69:20  Unique    2.60, 2.65 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HA          3.50    (#     70:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 304, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           20 THR  HA          2.80    (#     71:20  Unique    2.25, 2.31 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 318, 306, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 PHE  HN           33 PRO  HA          4.50    (#     74:20  Unique    4.02, 4.19 A)
 &rst
  ixpk= 74, nxpk= 20, iat= 539, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           59 ASN  HA          5.50    (#     75:20  Unique    4.65, 5.65 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1284,
 &end
#
#   25 LEU  HN           22 GLU  HA          4.50    (#     76:20  Unique    3.51, 3.66 A)
 &rst
  ixpk= 76, nxpk= 20, iat= 381, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 PHE  HN           34 GLY  HA+         4.50    (#     77:20  Unique    3.07, 3.34 A)
 &rst
  ixpk= 77, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     4.50    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 926, 927, 840, 848,
 igr2= 534, 535, 534, 535,
 &end
#
#   32 PHE  HD           32 PHE  HB+         4.50    (#     79:20  Unique    2.33, 3.10 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 506, 514,
 igr2= 502, 503,
 &end
#
#   32 PHE  HN           32 PHE  HB+         4.50    (#     80:20  Unique    2.60, 3.19 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 502, 503,
 &end
#
#   77 LYS  HN           15 ASN  HB+         4.50    (#     81:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 81, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB+         3.50    (#     82:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   35 PHE  HE           29 PHE  HA          5.50    (#     83:20  Unique    5.82, 6.23 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 549, 553,
 &end
#
#   32 PHE  HZ           29 PHE  HA          4.50    (#     84:20  Unique    4.46, 4.51 A)
 &rst
  ixpk= 84, nxpk= 20, iat= 510, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           29 PHE  HA          5.50    (#     85:20  Unique    2.27, 4.21 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 508, 512,
 &end
#
#   28 LEU  HN           25 LEU  HA          4.50    (#     86:20  Unique    2.99, 3.16 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 428, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2+         27 MET  HA          4.50    (#     87:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   37 GLU  HN           36 LYS  HA          4.50    (#     88:20  Unique    3.66, 3.69 A)
 &rst
  ixpk= 88, nxpk= 20, iat= 581, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           37 GLU  HA          3.50    (#     89:20  Unique    2.91, 2.95 A)
 &rst
  ixpk= 89, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HD           30 ASN  HA          3.50    (#     90:20  Unique    2.16, 4.04 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 547, 555,
 &end
#
#   30 ASN  HD2+         30 ASN  HA          5.50    (#     91:20  Unique    2.63, 4.21 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 476, 477,
 &end
#
#    0 AMB  20-2:92       0 AMB  20-1:92     4.50    (#     92:20  Double Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  72,  73, 114, 115,
 igr2=1300,1322,
 &end
#
#   35 PHE  HE           37 GLU  HA          3.50    (#     94:20  Unique    3.12, 4.31 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           37 GLU  HA          4.50    (#     95:20  Unique    2.75, 3.46 A)
 &rst
  ixpk= 95, nxpk= 20, iat= 551, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLN  HN           56 LEU  HA          4.50    (#     96:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 914, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:97       0 AMB  20-1:97     4.50    (#     97:20  Double Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115, 114, 115,
 igr2=1300,1322,
 &end
#
#   15 ASN  HD2-         15 ASN  HB+         4.50    (#     98:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   58 SER  HG            9 GLN  HA          3.50    (#     99:20  Unique    2.22, 2.27 A)
 &rst
  ixpk= 99, nxpk= 20, iat= 938, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HG           55 GLU  HA          3.50    (#    100:20  Unique    2.38, 2.51 A)
 &rst
  ixpk= 100, nxpk= 20, iat= 938, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HA           14 THR  HB          3.50    (#    101:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HA           33 PRO  HD+         4.50    (#    103:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 519, 520,
 &end
#
#   76 MET  HN           69 LYS  HA          5.50    (#    106:20  Unique    3.49, 3.56 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1196,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HN           75 ALA  HA          4.50    (#    107:20  Unique    2.15, 2.18 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1196,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HN           34 GLY  HA-         4.50    (#    108:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   48 ALA  HN           47 ILE  HA          3.50    (#    109:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 771, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HN           52 PHE  HA          3.50    (#    110:20  Unique    2.29, 2.51 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 559, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:111      0 AMB  20-1:111    3.50    (#    111:20  Double Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1288, 227,1268,
 igr2=1270, 215,
 &end
#
#   53 THR  HN           52 PHE  HA          3.50    (#    112:20  Unique    2.20, 2.26 A)
 &rst
  ixpk= 112, nxpk= 20, iat= 852, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 PHE  HN           51 GLU  HA          3.50    (#    113:20  Unique    2.13, 2.18 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 832, 819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HN           12 PHE  HA          2.80    (#    114:20  Unique    2.18, 2.22 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 THR  HN           13 LEU  HA          2.80    (#    115:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 213, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HN           10 ILE  HA          4.50    (#    119:20  Unique    2.17, 2.21 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 155, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           54 THR  HA          4.50    (#    120:20  Unique    2.12, 2.16 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 880, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           11 LEU  HA          4.50    (#    121:20  Unique    2.14, 2.23 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 174, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           41 VAL  HA          4.50    (#    122:20  Unique    2.90, 2.95 A)
 &rst
  ixpk= 122, nxpk= 20, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    123:20  Unique    2.81, 2.83 A)
 &rst
  ixpk= 123, nxpk= 20, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HA          3.50    (#    124:20  Unique    2.20, 2.37 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 655, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           54 THR  HB          4.50    (#    125:20  Unique    2.63, 2.74 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 880, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN            9 GLN  HA          4.50    (#    126:20  Unique    2.86, 2.89 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HN           17 PRO  HA          2.80    (#    127:20  Unique    2.26, 2.33 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HN           18 GLU  HA          3.50    (#    128:20  Unique    2.79, 2.84 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLU  HN           18 GLU  HA          4.50    (#    129:20  Unique    3.37, 3.47 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 289, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           22 GLU  HA          4.50    (#    130:20  Unique    3.52, 3.55 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 347, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HN           67 GLY  HA-         3.50    (#    131:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 131, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   62 LYS  HN           62 LYS  HA          3.50    (#    132:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HN           68 PHE  HB+         3.50    (#    133:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:134     62 LYS  HA          4.50    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1042,1013,
 &end
#
#   20 THR  HN           18 GLU  HA          5.50    (#    135:20  Unique    3.18, 3.45 A)
 &rst
  ixpk= 135, nxpk= 20, iat= 304, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HD           58 SER  HA          4.50    (#    136:20  Unique    3.48, 3.81 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#   39 ARG  HE           39 ARG  HD-         4.50    (#    137:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:138      0 AMB  20-1:138    4.50    (#    138:20  Double Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110, 109, 110,
 &end
#
#   21 ASN  HD2+         21 ASN  HB+         4.50    (#    139:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    4.50    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,1272,1273,
 &end
#
#   32 PHE  HD            0 AMB  20-1:141    3.50    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 506, 514,
 igr2= 502, 503, 543, 544,
 &end
#
#   35 PHE  HN            0 AMB  20-1:142    3.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 543, 544, 502, 503,
 &end
#
#   32 PHE  HN            0 AMB  20-1:144    4.50    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   58 SER  HN           58 SER  HA          4.50    (#    145:20  Unique    2.80, 2.85 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HN           43 ASN  HB+         4.50    (#    146:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 146, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#   43 ASN  HN           43 ASN  HB-         4.50    (#    147:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    3.50    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 801, 781,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 PHE  HN           49 PHE  HB-         3.50    (#    149:20  Unique    2.61, 3.24 A)
 &rst
  ixpk= 149, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 785, 786,
 &end
#
#   53 THR  HN            0 AMB  20-1:152    4.50    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   80 PHE  HN           80 PHE  HB-         4.50    (#    153:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   22 GLU  HN           21 ASN  HB+         3.50    (#    154:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   46 ASP  HN           46 ASP  HB+         4.50    (#    156:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   12 PHE  HN           12 PHE  HB-         4.50    (#    157:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#    9 GLN  HN            0 AMB  20-1:158    3.50    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#   22 GLU  HN            0 AMB  20-1:160    3.50    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 339, 340, 339, 340,
 &end
#
#   55 GLU  HN            0 AMB  20-1:161    4.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 126, 127, 126, 127,
 &end
#
#   76 MET  HN           76 MET  HB+         4.50    (#    162:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   76 MET  HN           76 MET  HB-         4.50    (#    163:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 163, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   46 ASP  HN           46 ASP  HB-         4.50    (#    164:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 164, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   34 GLY  HN           33 PRO  HB+         4.50    (#    166:20  Unique    3.28, 4.17 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 525, 526,
 &end
#
#   15 ASN  HN           15 ASN  HB-         4.50    (#    167:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   22 GLU  HN           22 GLU  HB+         3.50    (#    168:20  Unique    2.17, 2.41 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   41 VAL  HN           41 VAL  HB          4.50    (#    170:20  Unique    2.38, 2.54 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HB+         4.50    (#    172:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   41 VAL  HN           40 LEU  HB-         4.50    (#    173:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   78 ILE  HN           78 ILE  HB          4.50    (#    174:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  MDX         4.50    (#    175:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HN           40 LEU  MDX         3.50    (#    176:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 176, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   79 THR  HN           13 LEU  MDX         4.50    (#    177:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   12 PHE  HN           13 LEU  MDX         4.50    (#    178:20  Unique    3.55, 5.99 A)
 &rst
  ixpk= 178, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HN            0 AMB  20-1:179    4.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:180     79 THR  MG2         4.50    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1235, 174,
 igr2=1260,1261,1262,
 &end
#
#   79 THR  HN           79 THR  MG2         4.50    (#    181:20  Unique    4.04, 4.72 A)
 &rst
  ixpk= 181, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   39 ARG  HN           38 VAL  MGX         3.50    (#    182:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGX         3.50    (#    183:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   39 ARG  HN           38 VAL  MGY         3.50    (#    184:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGY         4.50    (#    185:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   41 VAL  HN            0 AMB  20-1:186    2.80    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   55 GLU  HN           54 THR  MG2         4.50    (#    187:20  Unique    3.23, 4.08 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   12 PHE  HN           81 ALA  MB          4.50    (#    188:20  Unique    3.04, 4.44 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#   76 MET  HN           75 ALA  MB          3.50    (#    189:20  Unique    3.38, 4.01 A)
 &rst
  ixpk= 189, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           10 ILE  MG2         3.50    (#    190:20  Unique    2.44, 3.39 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#   78 ILE  HN           78 ILE  MD1         4.50    (#    191:20  Unique    4.38, 5.03 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   41 VAL  HN           40 LEU  MDY         3.50    (#    192:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   15 ASN  HN           14 THR  MG2         4.50    (#    193:20  Unique    3.77, 4.45 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   51 GLU  HN           50 VAL  MGY         3.50    (#    194:20  Unique    2.49, 4.07 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HN           50 VAL  MGX         2.80    (#    195:20  Unique    3.00, 4.27 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   83 LYS  HN            0 AMB  20-1:196    4.50    (#    196:20  Single Ambig)
 &rst
  ixpk= 196, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#    0 AMB  20-2:197      0 AMB  20-1:197    5.50    (#    197:20  Double Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1320,  60,
 igr2=1305,1306,1305,1306,
 &end
#
#   49 PHE  HN           48 ALA  MB          3.50    (#    198:20  Unique    2.20, 3.13 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#   53 THR  HN           53 THR  MG2         4.50    (#    199:20  Unique    4.21, 4.38 A)
 &rst
  ixpk= 199, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#   80 PHE  HN           79 THR  MG2         4.50    (#    200:20  Unique    2.36, 3.58 A)
 &rst
  ixpk= 200, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   38 VAL  HN           38 VAL  MGX         3.50    (#    201:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   81 ALA  HN           81 ALA  MB          2.80    (#    202:20  Unique    2.48, 2.95 A)
 &rst
  ixpk= 202, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1292,1293,1294,
 &end
#
#   82 LYS  HN           81 ALA  MB          3.50    (#    203:20  Unique    2.34, 3.41 A)
 &rst
  ixpk= 203, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HN           75 ALA  MB          5.50    (#    204:20  Unique    3.68, 4.95 A)
 &rst
  ixpk= 204, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   13 LEU  HN           13 LEU  MDY         4.50    (#    205:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  HN           40 LEU  MDX         3.50    (#    206:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HN           13 LEU  MDX         4.50    (#    207:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 207, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDX         4.50    (#    208:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 208, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:209     11 LEU  MDY         4.50    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1288,1268,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   15 ASN  HN           16 LEU  MDX         5.50    (#    210:20  Unique    5.07, 6.21 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   49 PHE  HN           40 LEU  MDY         4.50    (#    211:20  Unique    3.62, 6.34 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  MDY         3.50    (#    212:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   49 PHE  HN           38 VAL  MGY         4.50    (#    213:20  Unique    3.34, 5.81 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HN           38 VAL  MGY         3.50    (#    214:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   49 PHE  HN            0 AMB  20-1:215    4.50    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:216     10 ILE  MG2         3.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 801,1288,
 igr2= 142, 143, 144,
 &end
#
#   15 ASN  HN           47 ILE  MG2         4.50    (#    217:20  Unique    2.88, 4.01 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HN           14 THR  MG2         4.50    (#    218:20  Unique    3.31, 4.06 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HN           11 LEU  MDY         4.50    (#    219:20  Unique    3.25, 5.13 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   22 GLU  HN           40 LEU  MDY         5.50    (#    220:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:221     78 ILE  MG2         4.50    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 174,1235,
 igr2=1241,1242,1243,
 &end
#
#   79 THR  HN           78 ILE  MG2         3.50    (#    222:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   36 LYS  HN           36 LYS  HB+         4.50    (#    224:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   36 LYS  HN           36 LYS  HB-         4.50    (#    225:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   70 ILE  HN           70 ILE  HG1+        4.50    (#    226:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 226, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   69 LYS  HN           69 LYS  HB-         4.50    (#    227:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 227, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   16 LEU  HN           16 LEU  HG          3.50    (#    228:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN            0 AMB  20-1:229    4.50    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HN           56 LEU  MDX         4.50    (#    230:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HN           11 LEU  MDX         4.50    (#    231:20  Unique    3.17, 4.68 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   69 LYS  HN           69 LYS  HG+         4.50    (#    232:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   56 LEU  HN           56 LEU  MDY         4.50    (#    233:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   48 ALA  HN           48 ALA  MB          3.50    (#    234:20  Unique    2.91, 3.48 A)
 &rst
  ixpk= 234, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:235     16 LEU  MDX         3.50    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 241,1213,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   77 LYS  HN           14 THR  MG2         5.50    (#    237:20  Unique    5.82, 6.38 A)
 &rst
  ixpk= 237, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 219, 220, 221,
 &end
#
#   54 THR  HN           53 THR  MG2         4.50    (#    238:20  Unique    3.24, 4.05 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:240      0 AMB  20-1:240    5.50    (#    240:20  Double Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 447,1169,
 igr2= 602, 603, 604, 606, 607, 608,1161,1162,1163,
 &end
#
#   54 THR  HN           54 THR  MG2         3.50    (#    241:20  Unique    3.78, 4.35 A)
 &rst
  ixpk= 241, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HN           54 THR  MG2         4.50    (#    242:20  Unique    4.37, 4.91 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   44 ARG  HN           41 VAL  MGX         4.50    (#    243:20  Unique    2.70, 4.94 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   65 LEU  HN           61 ALA  MB          4.50    (#    244:20  Unique    4.93, 5.56 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   62 LYS  HN           61 ALA  MB          3.50    (#    246:20  Unique    2.53, 3.40 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 970, 971, 972,
 &end
#
#   75 ALA  HN           75 ALA  MB          2.80    (#    247:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 247, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:248     75 ALA  MB          4.50    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HD2+         75 ALA  MB          4.50    (#    249:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HN           75 ALA  MB          4.50    (#    250:20  Unique    5.04, 5.62 A)
 &rst
  ixpk= 250, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   10 ILE  HN           10 ILE  MG2         4.50    (#    251:20  Unique    4.44, 4.81 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   48 ALA  HN           47 ILE  MG2         4.50    (#    252:20  Unique    4.16, 4.80 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   70 ILE  HN           70 ILE  MG2         4.50    (#    253:20  Unique    4.41, 4.55 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   71 THR  HN           70 ILE  MG2         3.50    (#    254:20  Unique    3.68, 4.39 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HN           70 ILE  MD1         4.50    (#    255:20  Unique    3.58, 4.22 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   48 ALA  HN           47 ILE  MD1         4.50    (#    256:20  Unique    3.48, 5.13 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    4.50    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 447, 493, 494,
 igr2= 432, 433, 432, 433,
 &end
#
#   10 ILE  HN           10 ILE  MD1         4.50    (#    258:20  Unique    3.48, 5.26 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 149, 150, 151,
 &end
#
#   31 GLN  HE2+         28 LEU  MDY         4.50    (#    259:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HN           65 LEU  MDY         5.50    (#    260:20  Unique    5.19, 6.52 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HN           65 LEU  MDY         4.50    (#    261:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HN           75 ALA  MB          4.50    (#    264:20  Unique    4.16, 5.32 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HN           77 LYS  HB-         7.00    (#    265:20  Unique    6.79, 7.55 A)
 &rst
  ixpk= 265, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1217,1218,
 &end
#
#   31 GLN  HN           31 GLN  HB+         4.50    (#    272:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:273      0 AMB  20-1:273    4.50    (#    273:20  Double Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 114, 115,  72,  73,
 igr2=1330,1331,1330,1331,1308,1309,
 &end
#
#   31 GLN  HN           31 GLN  HB-         4.50    (#    274:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   28 LEU  HN           28 LEU  HG          3.50    (#    275:20  Unique    2.53, 2.59 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  MB          2.80    (#    276:20  Unique    2.38, 2.82 A)
 &rst
  ixpk= 276, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HZ           64 ALA  MB          2.80    (#    278:20  Unique    2.28, 2.95 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HE           64 ALA  MB          3.50    (#    279:20  Unique    2.80, 4.09 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 512,
 igr2=1017,1018,1019,
 &end
#
#    8 ASN  HD2+         81 ALA  MB          3.50    (#    280:20  Unique    1.91, 3.88 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 114, 115,
 igr2=1292,1293,1294,
 &end
#
#   49 PHE  HD           81 ALA  MB          2.80    (#    282:20  Unique    2.56, 5.47 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:283     81 ALA  MB          3.50    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2=1292,1293,1294,
 &end
#
#   60 ALA  HN           60 ALA  MB          2.80    (#    284:20  Unique    2.54, 2.91 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2-         60 ALA  MB          4.50    (#    285:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HN           60 ALA  MB          2.80    (#    286:20  Unique    2.64, 3.46 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   28 LEU  HN           28 LEU  HB-         3.50    (#    287:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   57 GLN  HN           56 LEU  HB+         4.50    (#    288:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   57 GLN  HN           56 LEU  HB-         4.50    (#    289:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   66 GLN  HE2-         66 GLN  HG+         4.50    (#    290:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   77 LYS  HN           77 LYS  HB+         4.50    (#    291:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   77 LYS  HN           77 LYS  HB-         4.50    (#    292:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 292, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   63 GLU  HN           63 GLU  HB-         3.50    (#    293:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 293, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   63 GLU  HN           63 GLU  HB+         3.50    (#    294:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   69 LYS  HN           69 LYS  HD+         3.50    (#    295:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   69 LYS  HN           69 LYS  HB+         3.50    (#    296:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 296, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1090,1091,
 &end
#
#   56 LEU  HN           56 LEU  HG          4.50    (#    297:20  Unique    2.29, 3.91 A)
 &rst
  ixpk= 297, nxpk= 20, iat= 895, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LYS  HN           69 LYS  HG-         4.50    (#    298:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   63 GLU  HN           64 ALA  MB          4.50    (#    299:20  Unique    4.93, 5.44 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HN           64 ALA  MB          2.80    (#    300:20  Unique    2.66, 3.49 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:301     60 ALA  MB          4.50    (#    301:20  Single Ambig)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 942, 998,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2+         60 ALA  MB          4.50    (#    302:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:303     28 LEU  HB-         4.50    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 447, 493, 494,
 igr2= 432, 433,
 &end
#
#   48 ALA  HN           47 ILE  HB          4.50    (#    304:20  Unique    2.48, 2.60 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 771, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           56 LEU  HB+         3.50    (#    305:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   56 LEU  HN           56 LEU  HB-         3.50    (#    306:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   10 ILE  HN           10 ILE  HB          3.50    (#    307:20  Unique    2.73, 2.89 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 THR  HN           70 ILE  HB          3.50    (#    308:20  Unique    2.50, 2.55 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1127,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ILE  HN           70 ILE  HB          3.50    (#    309:20  Unique    2.42, 2.46 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           63 GLU  HB-         4.50    (#    312:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 312, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   64 ALA  HN           63 GLU  HB+         4.50    (#    313:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 313, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   10 ILE  HN            0 AMB  20-1:314    3.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    3.50    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 131, 132, 131, 132,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HE2+          2 GLN  HG+         3.50    (#    316:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#   27 MET  HN            0 AMB  20-1:317    3.50    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 415, 416, 415, 416,
 &end
#
#   63 GLU  HN           63 GLU  HG+         3.50    (#    318:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HN           63 GLU  HG-         3.50    (#    319:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   66 GLN  HE2-         66 GLN  HG-         4.50    (#    320:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG+         3.50    (#    321:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   27 MET  HN            0 AMB  20-1:322    3.50    (#    322:20  Single Ambig)
 &rst
  ixpk= 322, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:325      8 ASN  HB-         4.50    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110,
 &end
#
#   59 ASN  HN            0 AMB  20-1:327    3.50    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:328      0 AMB  20-1:328    3.50    (#    328:20  Double Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 951, 952, 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:329     80 PHE  HB-         4.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,
 &end
#
#   35 PHE  HN           35 PHE  HB-         4.50    (#    330:20  Unique    2.03, 2.53 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#   77 LYS  HN           15 ASN  HB-         4.50    (#    331:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB-         4.50    (#    332:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   43 ASN  HD2+         43 ASN  HB-         3.50    (#    333:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#    5 GLN  HN            5 GLN  HG+         4.50    (#    334:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   23 MET  HN           23 MET  HG+         4.50    (#    335:20  Unique    2.23, 3.70 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 354, 355,
 &end
#
#   24 MET  HN           24 MET  HG-         3.50    (#    336:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   24 MET  HN           24 MET  HG+         3.50    (#    337:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#    338:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#   30 ASN  HN           30 ASN  HB+         3.50    (#    339:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 339, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         4.50    (#    340:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:341    3.50    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#   25 LEU  HN            0 AMB  20-1:342    4.50    (#    342:20  Single Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  HN           24 MET  HG+         4.50    (#    343:20  Unique    3.96, 4.48 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG+         4.50    (#    344:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG-         4.50    (#    345:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   66 GLN  HN           66 GLN  HB+         4.50    (#    346:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#    0 AMB  20-2:347     61 ALA  HA          4.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 506, 514,
 &end
#
#   32 PHE  HZ           61 ALA  HA          4.50    (#    348:20  Unique    2.76, 3.00 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 510, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           61 ALA  HA          4.50    (#    349:20  Unique    3.03, 3.45 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 508, 512,
 &end
#
#   61 ALA  HN           61 ALA  HA          3.50    (#    350:20  Unique    2.85, 2.86 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HD2-         15 ASN  HB-         4.50    (#    351:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   30 ASN  HD2-         30 ASN  HB+         4.50    (#    352:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   65 LEU  HN           61 ALA  HA          5.50    (#    353:20  Unique    3.96, 4.02 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1023, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HN           61 ALA  HA          4.50    (#    354:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 976, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LYS  HN            0 AMB  20-1:355    5.50    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 572, 573, 572, 573,
 &end
#
#   66 GLN  HN           66 GLN  HG-         5.50    (#    356:20  Unique    2.78, 3.61 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1049,1050,
 &end
#
#   21 ASN  HN           24 MET  HB+         4.50    (#    358:20  Unique    2.21, 3.16 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   25 LEU  HN           24 MET  HB+         4.50    (#    360:20  Unique    2.37, 2.97 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   57 GLN  HE2+         33 PRO  HB+         4.50    (#    361:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   80 PHE  HD           62 LYS  HE+         5.50    (#    362:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   80 PHE  HD           62 LYS  HE-         5.50    (#    363:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   30 ASN  HD2-         30 ASN  HB-         3.50    (#    365:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   64 ALA  HN           63 GLU  HG+         4.50    (#    367:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 367, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   25 LEU  HN            0 AMB  20-1:368    5.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 339, 340, 339, 340,
 &end
#
#    2 GLN  HE2-          2 GLN  HG+         3.50    (#    369:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#    5 GLN  HE2-          5 GLN  HG-         5.50    (#    370:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:371    4.50    (#    371:20  Single Ambig)
 &rst
  ixpk= 371, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 415, 416, 415, 416,
 &end
#
#   59 ASN  HD2-         63 GLU  HG+         4.50    (#    372:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2-         63 GLU  HG-         4.50    (#    373:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   30 ASN  HD2+         30 ASN  HB-         4.50    (#    375:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB-         4.50    (#    376:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   30 ASN  HD2+         30 ASN  HB+         4.50    (#    377:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:382      0 AMB  20-1:382    5.50    (#    382:20  Double Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=  72,  73, 114, 115,
 igr2=1311,1312,1311,1312,1333,1334,1333,1334,
 &end
#
#   37 GLU  HN            0 AMB  20-1:383    4.50    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   21 ASN  HD2-         21 ASN  HB-         4.50    (#    384:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   43 ASN  HD2-         43 ASN  HB-         4.50    (#    385:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   21 ASN  HD2-         21 ASN  HB+         4.50    (#    389:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   68 PHE  HD           68 PHE  HB+         4.50    (#    390:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   39 ARG  HE           39 ARG  HD+         4.50    (#    391:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#   60 ALA  HN            0 AMB  20-1:392    3.50    (#    392:20  Single Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#   60 ALA  HN            0 AMB  20-1:393    4.50    (#    393:20  Single Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   29 PHE  HN           29 PHE  HB+         4.50    (#    394:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB+         4.50    (#    395:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   44 ARG  HN            0 AMB  20-1:396    5.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 689, 690, 689, 690,
 &end
#
#   24 MET  HN           24 MET  HB+         3.50    (#    398:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    5 GLN  HN            5 GLN  HG-         4.50    (#    399:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   43 ASN  HN           42 PRO  HB+         4.50    (#    400:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 678, 679,
 &end
#
#   23 MET  HN           23 MET  HB+         3.50    (#    401:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 351, 352,
 &end
#
#    0 AMB  20-2:402      0 AMB  20-1:402    4.50    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  14, 347,  45,
 igr2=  18,  19, 336, 337,  18,  19,
 &end
#
#    5 GLN  HN            5 GLN  HB+         4.50    (#    403:20  Unique    2.44, 3.31 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   30 ASN  HN           30 ASN  HB-         3.50    (#    404:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#   19 GLU  HN            0 AMB  20-1:406    4.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:407      0 AMB  20-1:407    4.50    (#    407:20  Double Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 636, 596,
 igr2= 339, 340, 339, 340, 339, 340,
 &end
#
#   23 MET  HN            0 AMB  20-1:408    4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 339, 340, 339, 340,
 &end
#
#   38 VAL  HN           37 GLU  HB+         3.50    (#    410:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 410, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   18 GLU  HN           17 PRO  HB+         4.50    (#    411:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    4 GLU  HN            4 GLU  HB-         4.50    (#    412:20  Unique    2.24, 3.21 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  49,  50,
 &end
#
#   19 GLU  HN           19 GLU  HB-         4.50    (#    413:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   50 VAL  HN           50 VAL  HB          4.50    (#    415:20  Unique    2.67, 2.72 A)
 &rst
  ixpk= 415, nxpk= 20, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HB-         5.50    (#    416:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   43 ASN  HN           42 PRO  HB-         5.50    (#    417:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   18 GLU  HN            0 AMB  20-1:418    2.80    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   19 GLU  HN            0 AMB  20-1:419    3.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 278, 279, 278, 279,
 &end
#
#   13 LEU  HN           13 LEU  HG          4.50    (#    420:20  Unique    4.50, 4.52 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HD+         5.50    (#    421:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#    422:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   80 PHE  HN           80 PHE  HB+         4.50    (#    423:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   11 LEU  HN           50 VAL  MGX         5.50    (#    424:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   39 ARG  HN           50 VAL  MGX         4.50    (#    425:20  Unique    4.00, 5.58 A)
 &rst
  ixpk= 425, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           36 LYS  HB-         4.50    (#    426:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   25 LEU  HN           25 LEU  HG          4.50    (#    427:20  Unique    2.35, 2.41 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           65 LEU  MDX         5.50    (#    428:20  Unique    3.05, 5.83 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:429     65 LEU  MDX         4.50    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   32 PHE  HZ           65 LEU  MDX         3.50    (#    430:20  Unique    2.89, 3.86 A)
 &rst
  ixpk= 430, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:431     65 LEU  MDX         3.50    (#    431:20  Single Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HN           65 LEU  MDX         5.50    (#    432:20  Unique    5.04, 6.60 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   57 GLN  HN           56 LEU  MDX         5.50    (#    438:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HD2-         11 LEU  MDX         4.50    (#    439:20  Unique    4.05, 7.76 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 114, 115,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   80 PHE  HD           11 LEU  MDX         5.50    (#    440:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           28 LEU  MDY         3.50    (#    441:20  Unique    2.55, 4.47 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:442     28 LEU  MDY         4.50    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1074,1082, 428,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   31 GLN  HE2-         28 LEU  MDY         5.50    (#    443:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   57 GLN  HN           56 LEU  MDY         5.50    (#    444:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   80 PHE  HD           11 LEU  MDY         3.50    (#    445:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   29 PHE  HE           11 LEU  MDY         5.50    (#    446:20  Unique    2.51, 6.51 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           65 LEU  MDY         3.50    (#    447:20  Unique    4.15, 6.09 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:448     65 LEU  MDY         2.80    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HE2-         65 LEU  MDY         3.50    (#    449:20  Unique    2.19, 3.97 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 493, 494,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:450     20 THR  MG2         3.50    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 381, 304,
 igr2= 310, 311, 312,
 &end
#
#   21 ASN  HN           20 THR  MG2         2.80    (#    451:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HE           14 THR  MG2         7.00    (#    452:20  Unique    6.84, 7.99 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 791, 795,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HZ           14 THR  MG2         3.50    (#    453:20  Unique    3.10, 3.76 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HD           14 THR  MG2         4.50    (#    454:20  Unique    3.22, 4.68 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 182, 190,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:455     65 LEU  MDY         4.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HD           25 LEU  MDX         5.50    (#    456:20  Unique    3.48, 6.81 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HN           25 LEU  MDX         3.50    (#    457:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   28 LEU  HN           25 LEU  MDX         4.50    (#    458:20  Unique    4.86, 6.65 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   21 ASN  HN           25 LEU  MDX         5.50    (#    459:20  Unique    4.65, 5.78 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   35 PHE  HE           50 VAL  MGY         3.50    (#    460:20  Unique    2.24, 6.07 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 549, 553,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           50 VAL  MGY         4.50    (#    461:20  Unique    3.89, 5.72 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           50 VAL  MGY         3.50    (#    462:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   52 PHE  HD           50 VAL  MGY         2.80    (#    463:20  Unique    2.55, 6.66 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 840, 848,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HZ           50 VAL  MGY         3.50    (#    464:20  Unique    2.96, 5.19 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   35 PHE  HD           50 VAL  MGY         4.50    (#    465:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:466     38 VAL  MGX         4.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGX         2.80    (#    467:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGX         3.50    (#    468:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:469     38 VAL  MGY         4.50    (#    469:20  Single Ambig)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGY         4.50    (#    470:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGY         4.50    (#    471:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:472      0 AMB  20-1:472    4.50    (#    472:20  Double Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1155, 455, 463,
 igr2=1161,1162,1163, 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    3.50    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   49 PHE  HE            0 AMB  20-1:475    3.50    (#    475:20  Single Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  HN            0 AMB  20-1:476    5.50    (#    476:20  Single Ambig)
 &rst
  ixpk= 476, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   57 GLN  HN           54 THR  MG2         5.50    (#    477:20  Unique    5.20, 5.45 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2+         54 THR  MG2         4.50    (#    478:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2-         54 THR  MG2         4.50    (#    479:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   29 PHE  HD           50 VAL  MGX         4.50    (#    480:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HE           50 VAL  MGX         4.50    (#    481:20  Unique    2.62, 5.09 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 457, 461,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           61 ALA  MB          4.50    (#    483:20  Unique    2.29, 5.17 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 455, 463,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HD           61 ALA  MB          4.50    (#    484:20  Unique    2.74, 4.42 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 506, 514,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HE           61 ALA  MB          4.50    (#    485:20  Unique    2.72, 4.50 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508, 512,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HZ           61 ALA  MB          5.50    (#    486:20  Unique    3.70, 4.65 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HN           61 ALA  MB          2.80    (#    487:20  Unique    2.48, 2.89 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#   15 ASN  HD2-         75 ALA  MB          4.50    (#    488:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   49 PHE  HD           10 ILE  MG2         2.80    (#    490:20  Unique    2.53, 5.28 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:491     10 ILE  MG2         3.50    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2= 142, 143, 144,
 &end
#
#   66 GLN  HN           78 ILE  MD1         4.50    (#    493:20  Unique    2.83, 3.76 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HZ           78 ILE  MD1         7.00    (#    494:20  Unique    6.43, 6.92 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HE           78 ILE  MD1         5.50    (#    495:20  Unique    5.70, 7.69 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 512,
 igr2=1248,1249,1250,
 &end
#
#   12 PHE  HE           47 ILE  MD1         4.50    (#    497:20  Unique    2.33, 5.77 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 765, 766, 767,
 &end
#
#   49 PHE  HE           47 ILE  MD1         4.50    (#    498:20  Unique    3.98, 7.28 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 791, 795,
 igr2= 765, 766, 767,
 &end
#
#   12 PHE  HZ           47 ILE  MD1         5.50    (#    499:20  Unique    2.63, 4.73 A)
 &rst
  ixpk= 499, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HN           47 ILE  MD1         3.50    (#    500:20  Unique    2.11, 3.46 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HN           28 LEU  HB+         3.50    (#    501:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    8 ASN  HD2-         10 ILE  MD1         5.50    (#    502:20  Unique    2.92, 5.14 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 149, 150, 151,
 &end
#
#   65 LEU  HN           65 LEU  MDX         4.50    (#    503:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 503, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   37 GLU  HN           37 GLU  HG-         4.50    (#    504:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HN           36 LYS  HB+         4.50    (#    505:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#    8 ASN  HN            7 PRO  HA          3.50    (#    506:20  Unique    2.20, 2.24 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 105, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HG1          54 THR  MG2         4.50    (#    507:20  Unique    2.27, 2.97 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   49 PHE  HA           10 ILE  MG2         4.50    (#    508:20  Unique    4.49, 5.40 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#    509:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:510      0 AMB  20-1:510    5.50    (#    510:20  Double Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1088,1129,
 igr2=1090,1091,1118,1119,
 &end
#
#   39 ARG  HA           39 ARG  HG-         4.50    (#    512:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   47 ILE  HA           16 LEU  HG          4.50    (#    513:20  Unique    2.74, 2.86 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 754, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HA           13 LEU  MDY         3.50    (#    514:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:515     40 LEU  MDX         5.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDX         3.50    (#    516:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HA           13 LEU  MDX         2.80    (#    517:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDX         3.50    (#    518:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   77 LYS  HA            0 AMB  20-1:519    2.80    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:520     11 LEU  MDX         4.50    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    3.50    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1188,1129,
 igr2=1093,1094,1093,1094,
 &end
#
#    0 AMB  20-2:522     11 LEU  MDY         2.80    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   40 LEU  HA           20 THR  MG2         5.50    (#    525:20  Unique    6.41, 7.65 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   47 ILE  HA           14 THR  MG2         4.50    (#    526:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   13 LEU  HA           14 THR  MG2         4.50    (#    527:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HA           14 THR  MG2         2.80    (#    528:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   53 THR  HG1          53 THR  MG2         3.50    (#    530:20  Unique    2.33, 3.65 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 858, 859, 860,
 &end
#
#   53 THR  HB           53 THR  MG2         2.80    (#    531:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA-          53 THR  MG2         5.50    (#    532:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:533     40 LEU  MDY         3.50    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:534     40 LEU  MDY         4.50    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDY         2.80    (#    535:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 535, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:536     50 VAL  MGY         4.50    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 819, 541, 834,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGY         2.80    (#    537:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:540     38 VAL  MGY         2.80    (#    540:20  Single Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 598, 614,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HA            0 AMB  20-1:541    3.50    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA            0 AMB  20-1:542    2.80    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   54 THR  HA           54 THR  MG2         2.80    (#    543:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#   54 THR  HB           54 THR  MG2         2.80    (#    545:20  Unique    2.42, 2.64 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:547     50 VAL  MGX         5.50    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 819, 196,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGX         2.80    (#    548:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:550     78 ILE  MG2         4.50    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 196, 157,
 igr2=1241,1242,1243,
 &end
#
#   78 ILE  HA           78 ILE  MG2         3.50    (#    551:20  Unique    2.51, 3.16 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HA           81 ALA  MB          4.50    (#    552:20  Unique    3.04, 4.04 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:553     81 ALA  MB          5.50    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138,1270,
 igr2=1292,1293,1294,
 &end
#
#   75 ALA  HA           75 ALA  MB          2.80    (#    555:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#   47 ILE  HA           47 ILE  MG2         3.50    (#    559:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HA           47 ILE  MG2         3.50    (#    560:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:563     70 ILE  MG2         5.50    (#    563:20  Single Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1131,1129,1088,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:564     78 ILE  MD1         4.50    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1237,1215,
 igr2=1248,1249,1250,
 &end
#
#   10 ILE  HA           10 ILE  MD1         5.50    (#    566:20  Unique    2.50, 4.66 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:569     16 LEU  HG          4.50    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 243, 229,
 &end
#
#   25 LEU  HA           25 LEU  HG          4.50    (#    570:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 570, nxpk= 20, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           40 LEU  MDX         4.50    (#    571:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HA           28 LEU  MDY         3.50    (#    573:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HA           28 LEU  MDY         3.50    (#    574:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   56 LEU  HA           56 LEU  MDY         2.80    (#    575:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   58 SER  HB-          11 LEU  MDY         4.50    (#    576:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   76 MET  HA           16 LEU  MDX         3.50    (#    577:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 577, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   58 SER  HB+          11 LEU  MDY         4.50    (#    578:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:579      0 AMB  20-1:579    5.50    (#    579:20  Double Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 978, 261, 262,
 igr2= 164, 165, 166, 168, 169, 170, 250, 251, 252, 254,
       255, 256,
 &end
#
#   16 LEU  HA           16 LEU  MDX         3.50    (#    580:20  Unique    2.36, 4.00 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   17 PRO  HD+          16 LEU  MDX         4.50    (#    581:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  HA           28 LEU  MDX         3.50    (#    582:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  HA           28 LEU  MDX         4.50    (#    583:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:584     14 THR  MG2         4.50    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  16,1258, 229,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HB           14 THR  MG2         2.80    (#    585:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   65 LEU  HA           65 LEU  MDY         3.50    (#    586:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 586, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  HA           25 LEU  MDX         2.80    (#    587:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:588     25 LEU  MDX         4.50    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 366,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   48 ALA  HA           40 LEU  MDY         3.50    (#    589:20  Unique    3.22, 5.50 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HA           40 LEU  MDY         4.50    (#    590:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   62 LYS  HA           78 ILE  MG2         4.50    (#    591:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   14 THR  HB           47 ILE  MG2         4.50    (#    592:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   66 GLN  HA           78 ILE  MD1         4.50    (#    593:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   62 LYS  HA           78 ILE  MD1         3.50    (#    594:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  HA           65 LEU  MDX         3.50    (#    595:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HA           65 LEU  MDX         3.50    (#    596:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 596, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HA           65 LEU  MDX         4.50    (#    597:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    3.50    (#    598:20  Double Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 868,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#    5 GLN  HA            5 GLN  HG-         4.50    (#    604:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB+         2.80    (#    605:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  84,  85,
 &end
#
#    5 GLN  HA            5 GLN  HB+         4.50    (#    606:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   46 ASP  HA           46 ASP  HB-         3.50    (#    607:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#    5 GLN  HA            5 GLN  HG+         4.50    (#    608:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB-         3.50    (#    609:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:610     69 LYS  HD-         3.50    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1088,1188,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    3.50    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1088,1188,
 igr2=1096,1097,1096,1097,
 &end
#
#    0 AMB  20-2:612      0 AMB  20-1:612    3.50    (#    612:20  Double Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1131,1129,  87,
 igr2=1145,1146,1145,1146,1145,1146,  95,  96,
 &end
#
#    0 AMB  20-2:613      0 AMB  20-1:613    4.50    (#    613:20  Double Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1131, 638,  87,
 igr2= 264, 265, 264, 265, 643,  95,  96,
 &end
#
#    6 PRO  HA            6 PRO  HG+         4.50    (#    614:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#    6 PRO  HA            6 PRO  HG-         4.50    (#    615:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#   69 LYS  HA           69 LYS  HG-         3.50    (#    616:20  Unique    3.23, 3.52 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1093,1094,
 &end
#
#   40 LEU  HA           40 LEU  HB-         4.50    (#    617:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   77 LYS  HA           77 LYS  HB+         3.50    (#    619:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   77 LYS  HA           77 LYS  HB-         3.50    (#    620:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   39 ARG  HA           39 ARG  HG+         4.50    (#    625:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   65 LEU  HA           64 ALA  MB          4.50    (#    628:20  Unique    4.44, 4.93 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#    2 GLN  HA            2 GLN  HG+         3.50    (#    629:20  Unique    2.41, 3.20 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#   33 PRO  HA           33 PRO  HB+         3.50    (#    630:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 630, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#   79 THR  HA           62 LYS  HE+         4.50    (#    631:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   79 THR  HA           62 LYS  HE-         4.50    (#    632:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   15 ASN  HA           15 ASN  HB-         3.50    (#    633:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#    4 GLU  HA            4 GLU  HG+         3.50    (#    634:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#    4 GLU  HA            4 GLU  HG-         3.50    (#    635:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#   33 PRO  HA           33 PRO  HG+         4.50    (#    636:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   33 PRO  HA           33 PRO  HB-         3.50    (#    637:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#    4 GLU  HA            4 GLU  HB+         3.50    (#    638:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    4 GLU  HA            4 GLU  HB-         3.50    (#    639:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    2 GLN  HA            2 GLN  HB+         3.50    (#    640:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 GLN  HA            2 GLN  HB-         3.50    (#    641:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#   33 PRO  HA           33 PRO  HG-         5.50    (#    642:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   36 LYS  HA           36 LYS  HB+         3.50    (#    649:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   36 LYS  HA           36 LYS  HB-         3.50    (#    650:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   17 PRO  HA           17 PRO  HB-         3.50    (#    651:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 267, 268,
 &end
#
#   70 ILE  HA           70 ILE  HG1+        4.50    (#    652:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   53 THR  HA           36 LYS  HD+         3.50    (#    653:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#   53 THR  HA           36 LYS  HD-         4.50    (#    654:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    3.50    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1300,1322,
 igr2=1305,1306,1327,1328,1327,1328,
 &end
#
#   14 THR  HB            0 AMB  20-1:660    4.50    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HA           56 LEU  MDX         3.50    (#    662:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:663     36 LYS  HG-         3.50    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 561, 854,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:664      0 AMB  20-1:664    3.50    (#    664:20  Double Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 561, 854,
 igr2= 566, 567, 566, 567,
 &end
#
#   25 LEU  HA           20 THR  MG2         5.50    (#    666:20  Unique    4.96, 5.31 A)
 &rst
  ixpk= 666, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HB           20 THR  MG2         2.80    (#    667:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HA           20 THR  MG2         3.50    (#    668:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   53 THR  HA           53 THR  MG2         2.80    (#    670:20  Unique    2.66, 3.32 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA+          53 THR  MG2         4.50    (#    671:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    3 THR  HB            3 THR  MG2         2.80    (#    672:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   26 SER  HB-          38 VAL  MGX         3.50    (#    673:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HA           38 VAL  MGX         2.80    (#    674:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:675     38 VAL  MGY         4.50    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383, 349,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HB-          38 VAL  MGY         4.50    (#    676:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HA           38 VAL  MGY         3.50    (#    677:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:678     73 THR  MG2         2.80    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1157,1159,
 igr2=1161,1162,1163,
 &end
#
#    0 AMB  20-2:679     54 THR  MG2         4.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 854, 121,
 igr2= 872, 873, 874,
 &end
#
#   42 PRO  HD+          41 VAL  MGX         3.50    (#    680:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          41 VAL  MGX         4.50    (#    681:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   60 ALA  HA           64 ALA  MB          4.50    (#    682:20  Unique    4.82, 5.69 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   64 ALA  HA           64 ALA  MB          2.80    (#    683:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 683, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    2.80    (#    684:20  Double Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1290,   6,
 igr2=1292,1293,1294,   8,   9,  10,
 &end
#
#   76 MET  HA           75 ALA  MB          5.50    (#    685:20  Unique    5.12, 5.55 A)
 &rst
  ixpk= 685, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HA           75 ALA  MB          5.50    (#    686:20  Unique    5.13, 6.00 A)
 &rst
  ixpk= 686, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HB+          75 ALA  MB          4.50    (#    687:20  Unique    4.81, 6.42 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 231, 232,
 igr2=1190,1191,1192,
 &end
#
#   60 ALA  HA           60 ALA  MB          2.80    (#    688:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   70 ILE  HA           70 ILE  MG2         3.50    (#    689:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 689, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:690     70 ILE  MD1         4.50    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1110, 306,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    4.50    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 383,1198,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   28 LEU  HA           28 LEU  HB+         3.50    (#    692:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:700     79 THR  MG2         2.80    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  47,1258,  16,
 igr2=1260,1261,1262,
 &end
#
#    3 THR  HA            3 THR  MG2         2.80    (#    701:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#    703:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#    704:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   83 LYS  HA            0 AMB  20-1:705    2.80    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1324,1325,1324,1325,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    5.50    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1198,  35,
 igr2=1217,1218,1302,1303,1302,1303,
 &end
#
#   82 LYS  HA            0 AMB  20-1:707    2.80    (#    707:20  Single Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1302,1303,1302,1303,
 &end
#
#   42 PRO  HA           42 PRO  HB-         2.80    (#    708:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB-         4.50    (#    709:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   37 GLU  HA           37 GLU  HB-         3.50    (#    710:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   63 GLU  HA           63 GLU  HB+         3.50    (#    713:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   70 ILE  HA           70 ILE  HG1-        3.50    (#    714:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 714, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:715      0 AMB  20-1:715    4.50    (#    715:20  Double Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1300,1322,1061,1062,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1096,1097,
      
 &end
#
#   31 GLN  HA           31 GLN  HB-         4.50    (#    716:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   55 GLU  HA            0 AMB  20-1:717    3.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 884, 885, 884, 885,
 &end
#
#   19 GLU  HA           19 GLU  HB-         3.50    (#    718:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 293, 294,
 &end
#
#   72 PRO  HA            0 AMB  20-1:719    3.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1145,1146,1145,1146,
 &end
#
#   56 LEU  HA            7 PRO  HG+         5.50    (#    720:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   28 LEU  HA           28 LEU  HB-         3.50    (#    722:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   56 LEU  HA           56 LEU  HB+         2.80    (#    723:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   56 LEU  HA           56 LEU  HB-         2.80    (#    724:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   70 ILE  HA           70 ILE  HB          4.50    (#    725:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 725, nxpk= 20, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HA           76 MET  HB+         3.50    (#    727:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 727, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    4.50    (#    728:20  Double Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 217, 882, 897,  35,
 igr2=  21,  22, 126, 127, 126, 127, 921, 922, 921, 922,
        21,  22, 921, 922,
 &end
#
#   24 MET  HA           24 MET  HB+         3.50    (#    729:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         4.50    (#    730:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#    6 PRO  HD+           5 GLN  HG-         4.50    (#    731:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#   33 PRO  HD+          33 PRO  HB+         4.50    (#    732:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   72 PRO  HA           72 PRO  HB+         3.50    (#    733:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 733, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.50    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1142,1143,1142,1143,
 igr2=1148,1149,1148,1149,
 &end
#
#   23 MET  HA           23 MET  HG-         3.50    (#    735:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   42 PRO  HD-          42 PRO  HB+         4.50    (#    736:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   42 PRO  HA           42 PRO  HB+         3.50    (#    737:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 737, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB+         4.50    (#    738:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   24 MET  HA           24 MET  HG-         2.80    (#    739:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 739, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#    7 PRO  HD+           6 PRO  HB+         3.50    (#    740:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   76 MET  HA           15 ASN  HB-         4.50    (#    745:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 745, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:747      0 AMB  20-1:747    2.80    (#    747:20  Double Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 469, 413,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:748     30 ASN  HB-         2.80    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 413,
 igr2= 471, 472,
 &end
#
#   63 GLU  HA           63 GLU  HG+         3.50    (#    749:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 749, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HA           63 GLU  HG-         3.50    (#    751:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 751, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   22 GLU  HA            0 AMB  20-1:752    2.80    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    3.50    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 958, 404, 405,
 igr2=1005,1006, 339, 340,
 &end
#
#    0 AMB  20-2:754      0 AMB  20-1:754    5.50    (#    754:20  Double Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015, 349,
 igr2=1005,1006, 339, 340, 339, 340,
 &end
#
#   76 MET  HA           76 MET  HB-         4.50    (#    759:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   24 MET  HA           24 MET  HB-         3.50    (#    760:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    0 AMB  20-2:761      0 AMB  20-1:761    2.80    (#    761:20  Double Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 413, 366,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   37 GLU  HA           37 GLU  HB+         4.50    (#    762:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   22 GLU  HA           22 GLU  HB+         3.50    (#    764:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   63 GLU  HA           63 GLU  HB-         3.50    (#    765:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 765, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   22 GLU  HA           22 GLU  HB-         3.50    (#    766:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   19 GLU  HA           19 GLU  HB+         4.50    (#    767:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#    0 AMB  20-2:770      0 AMB  20-1:770    3.50    (#    770:20  Double Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 519, 520, 672, 673,
 igr2= 522, 523, 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG+         4.50    (#    771:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG+         3.50    (#    772:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG-         4.50    (#    774:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HG-         3.50    (#    775:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           6 PRO  HG+         2.80    (#    778:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   19 GLU  HA            0 AMB  20-1:782    3.50    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA           17 PRO  HB+         4.50    (#    783:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    6 PRO  HD+           6 PRO  HB-         4.50    (#    784:20  Unique    2.72, 3.63 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:785      0 AMB  20-1:785    4.50    (#    785:20  Double Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1142,1143,1142,1143,1142,1143,
 igr2=1145,1146,1145,1146,1145,1146,
 &end
#
#    7 PRO  HD+           7 PRO  HG+         3.50    (#    786:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    6 PRO  HD+           6 PRO  HG-         2.80    (#    787:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   18 GLU  HA            0 AMB  20-1:788    2.80    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   18 GLU  HA            0 AMB  20-1:789    3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 281, 282, 281, 282,
 &end
#
#    7 PRO  HD+           7 PRO  HG-         4.50    (#    790:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    4.50    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 270, 502, 503,
 igr2= 278, 279, 278, 279, 485, 486,
 &end
#
#   13 LEU  HA           13 LEU  HG          4.50    (#    795:20  Unique    2.37, 2.42 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:796     11 LEU  HG          4.50    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 157, 938,
 &end
#
#   11 LEU  HA           11 LEU  HB+         4.50    (#    797:20  Unique    2.43, 2.78 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 159, 160,
 &end
#
#   13 LEU  HA           13 LEU  HB+         4.50    (#    798:20  Unique    2.69, 2.88 A)
 &rst
  ixpk= 798, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HB          5.50    (#    799:20  Unique    3.08, 3.34 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 215, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ILE  HA           10 ILE  HB          4.50    (#    800:20  Unique    3.01, 3.04 A)
 &rst
  ixpk= 800, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HA           12 PHE  HB-         4.50    (#    801:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   45 HIS  HA           45 HIS  HB-         3.50    (#    804:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   45 HIS  HA           45 HIS  HB+         3.50    (#    805:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   12 PHE  HA           12 PHE  HB+         4.50    (#    815:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   21 ASN  HA           21 ASN  HB+         3.50    (#    816:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   21 ASN  HA           21 ASN  HB-         2.80    (#    817:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:818     58 SER  HA          4.50    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 541,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    4.50    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    4.50    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   80 PHE  HA           80 PHE  HB+         4.50    (#    822:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 822, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   58 SER  HG           58 SER  HB-         3.50    (#    824:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 935, 936,
 &end
#
#    6 PRO  HA            7 PRO  HD-         3.50    (#    825:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#   16 LEU  HA           17 PRO  HD+         4.50    (#    826:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   16 LEU  HA           17 PRO  HD-         4.50    (#    827:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   68 PHE  HB+          68 PHE  HA          4.50    (#    828:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          68 PHE  HA          3.50    (#    829:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#    0 AMB  20-2:830     56 LEU  HA          3.50    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:831     83 LYS  HA          4.50    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#    0 AMB  20-2:832     83 LYS  HA          4.50    (#    832:20  Single Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#   35 PHE  HB+          30 ASN  HA          4.50    (#    833:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 543, 544,
 &end
#
#   35 PHE  HB-          30 ASN  HA          3.50    (#    834:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#   58 SER  HA           58 SER  HB-         4.50    (#    835:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#   17 PRO  HD-          16 LEU  HA          4.50    (#    836:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   29 PHE  HB+          29 PHE  HA          4.50    (#    838:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#    0 AMB  20-2:841     59 ASN  HA          3.50    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#   43 ASN  HB-          43 ASN  HA          2.80    (#    847:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 689, 690,
 &end
#
#    0 AMB  20-2:848     81 ALA  HA          3.50    (#    848:20  Single Ambig)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 178, 179,1311,1312,
 &end
#
#    0 AMB  20-2:851     36 LYS  HA          5.50    (#    851:20  Single Ambig)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:852     53 THR  HA          4.50    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:853     70 ILE  HA          5.50    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1088,1129,1131,1188,
 &end
#
#   21 ASN  HA           22 GLU  HA          4.50    (#    857:20  Unique    4.19, 4.32 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 320, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           42 PRO  HD+         3.50    (#    860:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   41 VAL  HA           42 PRO  HD-         3.50    (#    861:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   32 PHE  HA           33 PRO  HD-         3.50    (#    862:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 519, 520,
 &end
#
#    5 GLN  HA            6 PRO  HD+         2.80    (#    863:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:864      0 AMB  20-1:864    3.50    (#    864:20  Double Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1131,1129,
 igr2=1142,1143,1142,1143,
 &end
#
#   53 THR  HB           34 GLY  HA+         4.50    (#    865:20  Unique    2.43, 2.94 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   32 PHE  HA           32 PHE  HB+         5.50    (#    872:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   15 ASN  HA           15 ASN  HB+         3.50    (#    873:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#   21 ASN  HA           20 THR  HA          4.50    (#    874:20  Unique    4.48, 4.50 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 320, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    2.80    (#    875:20  Double Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 366, 413,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#   23 MET  HA           23 MET  HG+         3.50    (#    876:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   24 MET  HA           24 MET  HG+         2.80    (#    877:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#   58 SER  HB+          58 SER  HA          3.50    (#    878:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   83 LYS  HA            0 AMB  20-1:881    4.50    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1333,1334,1333,1334,
 &end
#
#   36 LYS  HA            0 AMB  20-1:882    4.50    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   43 ASN  HA            0 AMB  20-1:883    2.80    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 689, 690, 689, 690,
 &end
#
#   43 ASN  HA           43 ASN  HB-         2.80    (#    884:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 689, 690,
 &end
#
#   34 GLY  HA+          33 PRO  HA          4.50    (#    886:20  Unique    4.50, 4.91 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 534, 535,
 &end
#
#    7 PRO  HD+           6 PRO  HA          2.80    (#    889:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#   42 PRO  HD+          41 VAL  HA          2.80    (#    891:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   42 PRO  HD-          41 VAL  HA          2.80    (#    892:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   72 PRO  HD+          71 THR  HA          2.80    (#    893:20  Unique    2.16, 2.62 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1142,1143,
 &end
#
#   15 ASN  HB+          15 ASN  HA          3.50    (#    895:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#    6 PRO  HD+           5 GLN  HA          2.80    (#    896:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  78,  79,
 &end
#
#   64 ALA  MB           61 ALA  HA          3.50    (#    905:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1017,1018,1019,
 &end
#
#   39 ARG  HG+          39 ARG  HD+         3.50    (#    906:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    3.50    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623, 622, 623, 622, 623,
 &end
#
#   50 VAL  HB           49 PHE  HB-         5.50    (#    908:20  Unique    5.20, 5.82 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:909     49 PHE  HB-         7.00    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 159, 160, 198, 199,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:910      0 AMB  20-1:910    2.80    (#    910:20  Double Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,
 igr2=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,
 &end
#
#    0 AMB  20-2:911      0 AMB  20-1:911    2.80    (#    911:20  Double Ambig)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1327,1328,1327,1328,1327,1328,1305,1306,
 igr2=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 &end
#
#    0 AMB  20-2:912     69 LYS  HE-         2.80    (#    912:20  Single Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:913     69 LYS  HE-         3.50    (#    913:20  Single Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:914      0 AMB  20-1:914    2.80    (#    914:20  Double Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    2.80    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 569, 570, 569, 570,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:916      0 AMB  20-1:916    2.80    (#    916:20  Double Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 563, 564, 563, 564,
 igr2= 572, 573, 572, 573,
 &end
#
#   61 ALA  MB           58 SER  HA          3.50    (#    918:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 970, 971, 972,
 &end
#
#   10 ILE  MD1           0 AMB  20-1:920    4.50    (#    920:20  Single Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 149, 150, 151,
 igr2=1333,1334,1333,1334,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#    921:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    4.50    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:923     44 ARG  HD-         4.50    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710,
 &end
#
#   10 ILE  MG2           0 AMB  20-1:924    4.50    (#    924:20  Single Ambig)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 142, 143, 144,
 igr2= 785, 786,1333,1334,1333,1334,
 &end
#
#   28 LEU  MDY          28 LEU  HA          3.50    (#    925:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX          28 LEU  HA          3.50    (#    926:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX           0 AMB  20-1:927    4.50    (#    927:20  Single Ambig)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 418, 419, 418, 419,
 &end
#
#   65 LEU  MDY          68 PHE  HB+         4.50    (#    928:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#   65 LEU  MDY          65 LEU  HA          2.80    (#    929:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           29 PHE  HA          4.50    (#    930:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#   40 LEU  MDY          22 GLU  HA          3.50    (#    931:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HG           22 GLU  HA          4.50    (#    932:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 388, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  MD1          62 LYS  HA          2.80    (#    933:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          62 LYS  HA          2.80    (#    934:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1241,1242,1243,
 &end
#
#   56 LEU  MDY          56 LEU  HA          2.80    (#    935:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   78 ILE  MD1          66 GLN  HA          3.50    (#    936:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   25 LEU  MDX          25 LEU  HA          3.50    (#    937:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  HA          3.50    (#    938:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 388, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HB          4.50    (#    941:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HB          2.80    (#    942:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 219, 220, 221,
 &end
#
#   70 ILE  HG1+         70 ILE  HA          3.50    (#    946:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HA          3.50    (#    947:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   38 VAL  MGX          26 SER  HB+         5.50    (#    948:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HB-         4.50    (#    949:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HA          4.50    (#    950:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    3 THR  MG2           3 THR  HA          2.80    (#    951:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   17 PRO  HB-          17 PRO  HA          2.80    (#    952:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 267, 268,
 &end
#
#   73 THR  MG2          73 THR  HA          2.80    (#    953:20  Unique    2.42, 3.04 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   38 VAL  MGY          22 GLU  HA          2.80    (#    954:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          22 GLU  HA          4.50    (#    955:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:956     68 PHE  HA          4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1090,1091,1027,1028,1027,1028,1118,1119,
 &end
#
#    0 AMB  20-2:957     41 VAL  HA          2.80    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   79 THR  MG2          79 THR  HA          3.50    (#    958:20  Unique    2.35, 2.97 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1260,1261,1262,
 &end
#
#   75 ALA  MB           74 HIS  HA          4.50    (#    959:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1190,1191,1192,
 &end
#
#   25 LEU  HB-          25 LEU  HA          4.50    (#    960:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    4.50    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 310, 311, 312,1190,1191,1192,
 igr2= 383,1198,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    4.50    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 432, 433,1121,1122,1123,
 igr2= 383,1198,
 &end
#
#   28 LEU  HB+          28 LEU  HA          3.50    (#    964:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   79 THR  MG2           2 GLN  HA          4.50    (#    965:20  Unique    2.76, 4.85 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1260,1261,1262,
 &end
#
#    0 AMB  20-2:966     37 GLU  HA          4.50    (#    966:20  Single Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 563, 564,
 &end
#
#    0 AMB  20-2:968     65 LEU  HA          3.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HA          4.50    (#    969:20  Unique    3.06, 3.10 A)
 &rst
  ixpk= 969, nxpk= 20, iat=1030,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:970     48 ALA  HA          2.80    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    3.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-2:974     42 PRO  HD-         3.50    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673,
 &end
#
#   69 LYS  HG+          72 PRO  HD-         4.50    (#    978:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   75 ALA  MB           67 GLY  HA+         4.50    (#    979:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   75 ALA  MB           67 GLY  HA-         3.50    (#    980:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   79 THR  MG2          79 THR  HB          2.80    (#    983:20  Unique    2.41, 2.65 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1260,1261,1262,
 &end
#
#    3 THR  MG2           3 THR  HB          2.80    (#    984:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   73 THR  MG2          73 THR  HB          2.80    (#    985:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   20 THR  MG2          20 THR  HB          2.80    (#    986:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:987     53 THR  HA          3.50    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 858, 859, 860, 563, 564,
 &end
#
#    0 AMB  20-2:988     53 THR  HA          4.50    (#    988:20  Single Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 569, 570, 566, 567,
 &end
#
#   20 THR  MG2          20 THR  HA          3.50    (#    989:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
#   69 LYS  HG+          72 PRO  HA          4.50    (#    990:20  Unique    2.81, 3.74 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   62 LYS  HB-          62 LYS  HA          4.50    (#    991:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    7 PRO  HG-           7 PRO  HD+         4.50    (#    992:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    7 PRO  HG-           7 PRO  HD-         3.50    (#    993:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:994      0 AMB  20-1:994    4.50    (#    994:20  Double Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:995     44 ARG  HD-         4.50    (#    995:20  Single Ambig)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710,
 &end
#
#    0 AMB  20-2:996     18 GLU  HA          2.80    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:997      7 PRO  HD-         3.50    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:998     39 ARG  HD-         3.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:999     18 GLU  HA          3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    6 PRO  HB+           7 PRO  HD-         4.50    (#   1000:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#   76 MET  HG+          70 ILE  HA          7.00    (#   1001:20  Unique    6.97, 7.60 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1203,1204,
 &end
#
#   23 MET  HG+          23 MET  HA          3.50    (#   1002:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   23 MET  HG-          23 MET  HA          3.50    (#   1003:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   24 MET  HG+          24 MET  HA          2.80    (#   1004:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 371, 372,
 &end
#
#   24 MET  HG-          24 MET  HA          3.50    (#   1005:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#    0 AMB  20-2:1006    27 MET  HA          3.50    (#   1006:20  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:1007    76 MET  HA          3.50    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204, 231, 232,
 &end
#
#   66 GLN  HG-          66 GLN  HA          3.50    (#   1008:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#   30 ASN  HB+          30 ASN  HA          2.80    (#   1009:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 471, 472,
 &end
#
#   12 PHE  HB-          81 ALA  HA          3.50    (#   1010:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 178, 179,
 &end
#
#   33 PRO  HB+          33 PRO  HA          3.50    (#   1011:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HG+          33 PRO  HA          4.50    (#   1012:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#    0 AMB  20-2:1013     3 THR  HA          4.50    (#   1013:20  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,  21,  22,
 &end
#
#    5 GLN  HG+           4 GLU  HA          5.50    (#   1014:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  67,  68,
 &end
#
#   15 ASN  HB-          15 ASN  HA          3.50    (#   1015:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#   42 PRO  HB+          42 PRO  HA          2.80    (#   1018:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 678, 679,
 &end
#
#    0 AMB  20-2:1019    22 GLU  HA          2.80    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 339, 340, 339, 340,
 &end
#
#   24 MET  HB+          24 MET  HA          2.80    (#   1020:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1021     9 GLN  HA          4.50    (#   1021:20  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 GLN  HB+           9 GLN  HA          3.50    (#   1022:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#   63 GLU  HG-          63 GLU  HA          3.50    (#   1023:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#   1024:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:1025     0 AMB  20-1:1025   4.50    (#   1025:20  Double Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1200,1201, 368, 369,
 igr2=1198, 383,
 &end
#
#    0 AMB  20-2:1026    57 GLN  HA          2.80    (#   1026:20  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 921, 922, 921, 922,
 &end
#
#    5 GLN  HG-          82 LYS  HA          4.50    (#   1027:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   30 ASN  HB-          30 ASN  HA          3.50    (#   1028:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   42 PRO  HB+          42 PRO  HD+         4.50    (#   1029:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB+          42 PRO  HD-         4.50    (#   1030:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG+          33 PRO  HD+         4.50    (#   1031:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   33 PRO  HG+          33 PRO  HD-         4.50    (#   1032:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1033:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#    5 GLN  HB+           6 PRO  HD+         2.80    (#   1034:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HD-         4.50    (#   1035:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1036:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HA          2.80    (#   1037:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1148,1149,
 &end
#
#    0 AMB  20-2:1039     0 AMB  20-1:1039   4.50    (#   1039:20  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 146, 147, 146, 147, 149, 150, 151,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#   78 ILE  MD1          76 MET  HG+         4.50    (#   1040:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:1041     0 AMB  20-1:1041   4.50    (#   1041:20  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:1042     0 AMB  20-1:1042   4.50    (#   1042:20  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,1203,1204,
 &end
#
#   78 ILE  MD1          76 MET  HG-         5.50    (#   1043:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#   61 ALA  MB           61 ALA  HA          2.80    (#   1045:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 970, 971, 972,
 &end
#
#   62 LYS  HD+          62 LYS  HE+         3.50    (#   1046:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1047     0 AMB  20-1:1047   2.80    (#   1047:20  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990, 989, 990,
 &end
#
#   62 LYS  HD+          62 LYS  HE-         3.50    (#   1048:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1049    62 LYS  HE-         2.80    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990,
 &end
#
#   38 VAL  MGY           0 AMB  20-1:1051   2.80    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:1052     0 AMB  20-1:1052   2.80    (#   1052:20  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 602, 603, 604, 606, 607, 608, 983, 984,
 igr2= 339, 340, 339, 340,1005,1006,
 &end
#
#   40 LEU  MDY           0 AMB  20-1:1053   3.50    (#   1053:20  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 339, 340, 339, 340,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.80    (#   1054:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          50 VAL  HB          3.50    (#   1055:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   28 LEU  MDX          28 LEU  HG          3.50    (#   1057:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDY          28 LEU  HG          3.50    (#   1058:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDY          64 ALA  MB          4.50    (#   1059:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   28 LEU  MDY          28 LEU  HB-         3.50    (#   1060:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1061    28 LEU  HB-         3.50    (#   1061:20  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          50 VAL  HB          3.50    (#   1062:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   70 ILE  MD1          70 ILE  HG1-        3.50    (#   1063:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#   36 LYS  HG-          36 LYS  HD+         3.50    (#   1064:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1065    69 LYS  HD-         2.80    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1068     0 AMB  20-1:1068   2.80    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,1096,1097,
 &end
#
#   13 LEU  MDX          13 LEU  HG          2.80    (#   1069:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  MDY          40 LEU  HG          2.80    (#   1070:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1071     0 AMB  20-1:1071   2.80    (#   1071:20  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 igr2= 643, 902,
 &end
#
#   78 ILE  MD1          78 ILE  HG1-        4.50    (#   1073:20  Unique    2.32, 2.64 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:1074     0 AMB  20-1:1074   3.50    (#   1074:20  Double Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1075     0 AMB  20-1:1075   3.50    (#   1075:20  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1077    11 LEU  HG          4.50    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  MDX          11 LEU  HG          5.50    (#   1078:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1080     0 AMB  20-1:1080   5.50    (#   1080:20  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 706, 707, 706, 707, 706, 707,
 &end
#
#   28 LEU  HB+          28 LEU  HG          4.50    (#   1081:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   61 ALA  MB           64 ALA  MB          4.50    (#   1096:20  Unique    4.30, 5.74 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 970, 971, 972,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1098     0 AMB  20-1:1098   3.50    (#   1098:20  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2= 198, 199, 198, 199,
 &end
#
#   40 LEU  MDY          40 LEU  HB+         4.50    (#   1102:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#    0 AMB  20-2:1103     0 AMB  20-1:1103   2.80    (#   1103:20  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 904, 905, 906, 908, 909, 910, 765, 766, 767,
 igr2= 899, 900, 756,
 &end
#
#   56 LEU  MDX          56 LEU  HB-         2.80    (#   1104:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2= 899, 900,
 &end
#
#   40 LEU  MDX          40 LEU  HB+         3.50    (#   1105:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#   78 ILE  MD1          78 ILE  HB          3.50    (#   1106:20  Unique    2.46, 3.20 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          78 ILE  HB          3.50    (#   1107:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   10 ILE  MG2          10 ILE  HB          3.50    (#   1108:20  Unique    2.43, 2.68 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1109    10 ILE  HB          3.50    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   40 LEU  MDX          22 GLU  HB+         4.50    (#   1114:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 336, 337,
 &end
#
#    0 AMB  20-2:1118    62 LYS  HB-         4.50    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 986, 987,1241,1242,1243, 164, 165, 166, 168, 169,
       170,
 igr2= 980, 981,
 &end
#
#    0 AMB  20-2:1120     0 AMB  20-1:1120   4.50    (#   1120:20  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 149, 150, 151, 146, 147, 146, 147,
 igr2=1327,1328,1327,1328,1327,1328,
 &end
#
#   78 ILE  MG2          79 THR  MG2         5.50    (#   1122:20  Unique    5.57, 7.28 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1123    81 ALA  MB          4.50    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 146, 147, 149, 150, 151,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1124     0 AMB  20-1:1124   3.50    (#   1124:20  Double Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,1241,1242,1243,
 igr2= 198, 199, 159, 160,
 &end
#
#   25 LEU  HG           25 LEU  HB-         4.50    (#   1125:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1125, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   36 LYS  HG-          36 LYS  HD-         2.80    (#   1129:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#   10 ILE  MG2          81 ALA  MB          2.80    (#   1131:20  Unique    2.46, 3.76 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   2.80    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 645, 646, 647, 649, 650, 651, 203, 204, 205, 207,
       208, 209,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#    0 AMB  20-2:1137     0 AMB  20-1:1137   3.50    (#   1137:20  Double Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#   25 LEU  HG           20 THR  MG2         2.80    (#   1138:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1139    38 VAL  MGX         3.50    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 390, 391, 392, 394, 395, 396, 645, 646, 647, 649,
       650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGX         3.50    (#   1140:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGX         3.50    (#   1141:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGX         3.50    (#   1142:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1143:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1144:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGY         3.50    (#   1145:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGY         3.50    (#   1146:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1147    10 ILE  MG2         2.80    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 149, 150, 151, 146, 147,
 igr2= 142, 143, 144,
 &end
#
#   16 LEU  MDX          70 ILE  MD1         3.50    (#   1149:20  Unique    2.26, 4.32 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1121,1122,1123,
 &end
#
#   28 LEU  MDY          28 LEU  HB+         2.80    (#   1150:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1151     0 AMB  20-1:1151   3.50    (#   1151:20  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433, 432, 433,
 &end
#
#   65 LEU  MDY          65 LEU  HG          3.50    (#   1152:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   50 VAL  MGX          13 LEU  MDY         3.50    (#   1153:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          13 LEU  MDX         3.50    (#   1154:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDX          61 ALA  MB          4.50    (#   1155:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 970, 971, 972,
 &end
#
#   65 LEU  MDX          78 ILE  MD1         4.50    (#   1156:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  MDX          28 LEU  HB+         4.50    (#   1157:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   65 LEU  MDX          65 LEU  HG          4.50    (#   1158:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          64 ALA  MB          4.50    (#   1159:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1161   4.50    (#   1161:20  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1162   4.50    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX          29 PHE  HA          4.50    (#   1163:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          28 LEU  HA          4.50    (#   1164:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          65 LEU  HA          4.50    (#   1165:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          25 LEU  HA          4.50    (#   1166:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   16 LEU  HG           16 LEU  HA          4.50    (#   1167:20  Unique    3.34, 3.41 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 248, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  MG2          47 ILE  HB          5.50    (#   1168:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    7 PRO  HD-           6 PRO  HB-         3.50    (#   1169:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#    7 PRO  HD-           7 PRO  HG+         3.50    (#   1170:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    7 PRO  HD-           7 PRO  HG-         3.50    (#   1171:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#   39 ARG  HD-          39 ARG  HG+         3.50    (#   1172:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD-          39 ARG  HG-         3.50    (#   1174:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1175     0 AMB  20-1:1175   3.50    (#   1175:20  Double Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 709, 710, 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#   44 ARG  HD-           0 AMB  20-1:1176   3.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#    8 ASN  HB+          81 ALA  MB          5.50    (#   1177:20  Unique    4.55, 6.29 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 109, 110,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HZ           47 ILE  HB          4.50    (#   1180:20  Unique    2.75, 2.94 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 186, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  HN           77 LYS  HB+         5.50    (#   1181:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#   45 HIS  HB-          18 GLU  HA          4.50    (#   1184:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          18 GLU  HA          4.50    (#   1185:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   42 PRO  HG-          42 PRO  HA          4.50    (#   1190:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
#   42 PRO  HB-          42 PRO  HA          3.50    (#   1191:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 678, 679,
 &end
#
#   76 MET  ME           70 ILE  HA          4.50    (#   1192:20  Unique    4.49, 5.39 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1193    70 ILE  HA          2.80    (#   1193:20  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1112,
 &end
#
#    0 AMB  20-2:1195    17 PRO  HA          3.50    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:1196    17 PRO  HA          4.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 278, 279, 245, 246,
 &end
#
#   22 GLU  HB+          22 GLU  HA          2.80    (#   1197:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 336, 337,
 &end
#
#   23 MET  HB+          23 MET  HA          2.80    (#   1200:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#   23 MET  HB-          23 MET  HA          2.80    (#   1201:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#    0 AMB  20-2:1202    24 MET  HA          2.80    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 422, 423, 424, 368, 369,
 &end
#
#    9 GLN  HB-           9 GLN  HA          3.50    (#   1203:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  20-2:1205     0 AMB  20-1:1205   3.50    (#   1205:20  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1049,1050,1002,1003,
 igr2=1044,1000,
 &end
#
#    0 AMB  20-2:1206     0 AMB  20-1:1206   2.80    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 415, 416, 415, 416, 296, 297, 296, 297,
 igr2= 413, 291,
 &end
#
#   55 GLU  HG-          55 GLU  HA          3.50    (#   1207:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:1208    56 LEU  HA          2.80    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 899, 900, 902,
 &end
#
#    0 AMB  20-2:1210     0 AMB  20-1:1210   3.50    (#   1210:20  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1200,1201, 123, 124,
 igr2=1198, 882,
 &end
#
#   66 GLN  HB-          66 GLN  HA          3.50    (#   1211:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1046,1047,
 &end
#
#   66 GLN  HG+          66 GLN  HA          3.50    (#   1212:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#    0 AMB  20-2:1213    19 GLU  HA          3.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 296, 297, 296, 297,
 &end
#
#   19 GLU  HB-          19 GLU  HA          2.80    (#   1214:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#   1215:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   76 MET  ME           25 LEU  HA          4.50    (#   1216:20  Unique    4.01, 4.85 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1220    31 GLN  HA          3.50    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 488, 489, 488, 489,
 &end
#
#   31 GLN  HB+          31 GLN  HA          2.80    (#   1221:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#   37 GLU  HB+          37 GLU  HA          2.80    (#   1222:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
#   62 LYS  HB+          60 ALA  HA          5.50    (#   1223:20  Unique    5.01, 5.87 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 980, 981,
 &end
#
#   42 PRO  HB-          42 PRO  HD-         4.50    (#   1224:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG-          42 PRO  HD+         3.50    (#   1225:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB-          42 PRO  HD+         5.50    (#   1226:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG-          33 PRO  HD+         4.50    (#   1227:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    6 PRO  HG+           6 PRO  HD+         2.80    (#   1228:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1230     0 AMB  20-1:1230   3.50    (#   1230:20  Double Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,1142,1143,1142,1143,
 &end
#
#   24 MET  HB-          20 THR  HA          3.50    (#   1233:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1235    72 PRO  HA          2.80    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1148,1149,1145,1146,1145,1146,
 &end
#
#   44 ARG  HN           42 PRO  HA          4.50    (#   1236:20  Unique    3.41, 4.11 A)
 &rst
  ixpk= 1236, nxpk= 20, iat= 699, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           42 PRO  HA          4.50    (#   1237:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 687, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HG+          42 PRO  HA          3.50    (#   1239:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HA          5.50    (#   1240:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  20-2:1241     0 AMB  20-1:1241   4.50    (#   1241:20  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1108,1213,
 igr2=1200,1201,1200,1201,
 &end
#
#   50 VAL  HA           50 VAL  HB          5.50    (#   1244:20  Unique    3.03, 3.05 A)
 &rst
  ixpk= 1244, nxpk= 20, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1246    76 MET  HB-         4.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1108,1213,
 igr2=1200,1201,
 &end
#
#   33 PRO  HG-          33 PRO  HA          4.50    (#   1249:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   24 MET  HN           24 MET  HB-         3.50    (#   1250:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   24 MET  HG+          24 MET  HB+         4.50    (#   1251:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#    9 GLN  HA            0 AMB  20-1:1252   3.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HB-           2 GLN  HG+         2.80    (#   1253:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:1254     0 AMB  20-1:1254   2.80    (#   1254:20  Double Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  18,  19, 123, 124,
 igr2=  21,  22, 126, 127, 126, 127,
 &end
#
#    6 PRO  HA            7 PRO  HD+         3.50    (#   1256:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#    6 PRO  HB+           7 PRO  HD+         4.50    (#   1258:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD-         5.50    (#   1259:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD-         5.50    (#   1260:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD+         5.50    (#   1261:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD+         5.50    (#   1262:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   3.50    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,  92,  93,
 &end
#
#   42 PRO  HA           41 VAL  MGX         5.50    (#   1264:20  Unique    4.63, 6.35 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HA           41 VAL  MGX         2.80    (#   1265:20  Unique    2.40, 3.14 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   37 GLU  HN           38 VAL  MGX         4.50    (#   1267:20  Unique    4.68, 6.55 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HD           38 VAL  MGX         4.50    (#   1268:20  Unique    4.13, 7.37 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGX         4.50    (#   1270:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HN           38 VAL  MGY         5.50    (#   1271:20  Unique    5.18, 7.02 A)
 &rst
  ixpk= 1271, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGY         4.50    (#   1272:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1273    38 VAL  MGY         2.80    (#   1273:20  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGY         2.80    (#   1274:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1275    38 VAL  MGY         3.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 588, 589, 640, 641, 616, 617,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HG           38 VAL  MGY         4.50    (#   1276:20  Unique    2.81, 5.63 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGY         3.50    (#   1277:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1278    38 VAL  MGX         3.50    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGX         2.80    (#   1279:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    6 PRO  HG-           6 PRO  HD+         2.80    (#   1281:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1283    54 THR  MG2         4.50    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 921, 922, 921, 922,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:1284    54 THR  MG2         4.50    (#   1284:20  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 899, 900, 902, 884, 885, 884, 885,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   1285:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   53 THR  MG2          54 THR  MG2         2.80    (#   1286:20  Unique    2.24, 4.16 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 858, 859, 860,
 igr2= 872, 873, 874,
 &end
#
#   61 ALA  HA           64 ALA  MB          3.50    (#   1287:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 1287, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#   63 GLU  HA           64 ALA  MB          5.50    (#   1288:20  Unique    5.70, 6.07 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HG           64 ALA  MB          3.50    (#   1289:20  Unique    2.59, 3.38 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1290    53 THR  MG2         4.50    (#   1290:20  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 572, 573, 572, 573,
 igr2= 858, 859, 860,
 &end
#
#   17 PRO  HD+          20 THR  MG2         4.50    (#   1291:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   17 PRO  HD-          20 THR  MG2         5.50    (#   1292:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB-          20 THR  MG2         2.80    (#   1293:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   25 LEU  MDY          20 THR  MG2         2.80    (#   1294:20  Unique    2.28, 3.99 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB+          20 THR  MG2         4.50    (#   1295:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HA           50 VAL  MGX         4.50    (#   1297:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB+          50 VAL  MGX         5.50    (#   1299:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   49 PHE  HB+          50 VAL  MGX         5.50    (#   1300:20  Unique    4.92, 6.68 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 785, 786,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB-          50 VAL  MGX         4.50    (#   1301:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  HB           50 VAL  MGX         4.50    (#   1302:20  Unique    2.35, 5.65 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1303    50 VAL  MGX         3.50    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 390, 391, 392, 394, 395, 396, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.80    (#   1304:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1305    50 VAL  MGX         3.50    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 198, 199, 385, 386, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGX         2.80    (#   1306:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGX         3.50    (#   1307:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   13 LEU  MDY          50 VAL  MGX         2.80    (#   1308:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   75 ALA  MB           75 ALA  HA          2.80    (#   1311:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1315    17 PRO  HD-         4.50    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   4.50    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262, 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD+         4.50    (#   1317:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#   1318:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD-         5.50    (#   1319:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD+         5.50    (#   1320:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   69 LYS  HE+          75 ALA  MB          3.50    (#   1323:20  Unique    2.44, 4.46 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1099,1100,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD+          75 ALA  MB          3.50    (#   1325:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD-          75 ALA  MB          3.50    (#   1326:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           81 ALA  MB          5.50    (#   1330:20  Unique    3.51, 4.62 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#    1 ALA  HN            1 ALA  MB          4.50    (#   1331:20  Unique    1.87, 7.10 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=   8,   9,  10,
 &end
#
#   10 ILE  HN           81 ALA  MB          5.50    (#   1332:20  Unique    4.10, 5.17 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HD           81 ALA  MB          5.50    (#   1334:20  Unique    4.69, 6.19 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1335    81 ALA  MB          5.50    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1322,1300,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1336    81 ALA  MB          3.50    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 178, 179,1333,1334,1333,1334,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HB-          81 ALA  MB          4.50    (#   1337:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 178, 179,
 igr2=1292,1293,1294,
 &end
#
#    2 GLN  HG+           1 ALA  MB          4.50    (#   1338:20  Unique    3.12, 5.77 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  21,  22,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:1340    81 ALA  MB          2.80    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HA+          75 ALA  MB          3.50    (#   1342:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1061,1062,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1343    10 ILE  MG2         7.00    (#   1343:20  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 174, 119,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1344    10 ILE  MG2         5.50    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832,1298,
 igr2= 142, 143, 144,
 &end
#
#    8 ASN  HD2+         10 ILE  MG2         5.50    (#   1345:20  Unique    3.91, 5.08 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 142, 143, 144,
 &end
#
#   10 ILE  HA           10 ILE  MG2         3.50    (#   1346:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1347    10 ILE  MG2         3.50    (#   1347:20  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786,1333,1334,1333,1334,
 igr2= 142, 143, 144,
 &end
#
#   49 PHE  HB-          10 ILE  MG2         3.50    (#   1348:20  Unique    3.08, 4.48 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 785, 786,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1349    10 ILE  MG2         5.50    (#   1349:20  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 126, 127, 126, 127,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1350    10 ILE  MG2         2.80    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1351    10 ILE  MG2         4.50    (#   1351:20  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1330,1331,1330,1331,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1352    10 ILE  MG2         2.80    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 igr2= 142, 143, 144,
 &end
#
#   29 PHE  HA           61 ALA  MB          5.50    (#   1353:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   60 ALA  HA           61 ALA  MB          7.00    (#   1354:20  Unique    5.82, 6.11 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HB-          61 ALA  MB          4.50    (#   1355:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   58 SER  HA           61 ALA  MB          4.50    (#   1356:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HA           61 ALA  MB          2.80    (#   1357:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1358    61 ALA  MB          3.50    (#   1358:20  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#   66 GLN  HE2+         78 ILE  MG2         4.50    (#   1359:20  Unique    4.32, 5.62 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1054,1055,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HN           78 ILE  MG2         4.50    (#   1360:20  Unique    3.92, 5.17 A)
 &rst
  ixpk= 1360, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   65 LEU  HN           78 ILE  MG2         5.50    (#   1361:20  Unique    5.35, 6.58 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1362    78 ILE  MG2         5.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1042,1013,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1366    78 ILE  MG2         5.50    (#   1366:20  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1044, 935, 936,1000,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1367    78 ILE  MG2         4.50    (#   1367:20  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 162, 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB+          78 ILE  MG2         4.50    (#   1368:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1369    78 ILE  MG2         2.80    (#   1369:20  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1239,1245,1246,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HB-          78 ILE  MG2         3.50    (#   1370:20  Unique    2.32, 3.89 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB-          78 ILE  MG2         3.50    (#   1371:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1372    78 ILE  MG2         3.50    (#   1372:20  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 983, 984, 983, 984,
 igr2=1241,1242,1243,
 &end
#
#   58 SER  HN           60 ALA  MB          5.50    (#   1373:20  Unique    5.33, 6.26 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HA           60 ALA  MB          5.50    (#   1376:20  Unique    5.84, 6.13 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1377    60 ALA  MB          4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 946, 947, 946, 947,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HA           60 ALA  MB          4.50    (#   1378:20  Unique    4.39, 4.93 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1379    60 ALA  MB          4.50    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1005,1006, 921, 922, 921, 922,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HG-          60 ALA  MB          4.50    (#   1380:20  Unique    3.65, 6.16 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HB-          60 ALA  MB          4.50    (#   1381:20  Unique    4.26, 5.87 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  MB           60 ALA  MB          5.50    (#   1382:20  Unique    4.30, 5.92 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 970, 971, 972,
 igr2= 960, 961, 962,
 &end
#
#   16 LEU  HA           70 ILE  MG2         4.50    (#   1384:20  Unique    4.30, 5.33 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD+          70 ILE  MG2         4.50    (#   1385:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD-          70 ILE  MG2         4.50    (#   1386:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HB-          70 ILE  MG2         5.50    (#   1388:20  Unique    5.51, 6.75 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1200,1201,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1389    70 ILE  MG2         2.80    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1112,1118,1119,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1390    70 ILE  MG2         3.50    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 264, 265, 264, 265,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  ME           70 ILE  MG2         4.50    (#   1391:20  Unique    4.63, 5.63 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1207,1208,1209,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HG1+         70 ILE  MG2         3.50    (#   1392:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1118,1119,
 igr2=1114,1115,1116,
 &end
#
#   25 LEU  MDX          70 ILE  MG2         4.50    (#   1394:20  Unique    3.77, 6.82 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1114,1115,1116,
 &end
#
#   16 LEU  MDX          70 ILE  MG2         4.50    (#   1395:20  Unique    4.38, 6.92 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDY          70 ILE  MG2         5.50    (#   1396:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   68 PHE  HN           67 GLY  HA+         4.50    (#   1397:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   68 PHE  HN           67 GLY  HA-         4.50    (#   1398:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   34 GLY  HN           34 GLY  HA+         3.50    (#   1420:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 534, 535,
 &end
#
#   57 GLN  HE2-         34 GLY  HA+         5.50    (#   1421:20  Unique    2.21, 3.67 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 534, 535,
 &end
#
#   11 LEU  MDX          11 LEU  HB+         4.50    (#   1423:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1424     0 AMB  20-1:1424   4.50    (#   1424:20  Double Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 igr2= 159, 160, 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB-         5.50    (#   1425:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 1425, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB-         5.50    (#   1426:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   4.50    (#   1427:20  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 157, 196,
 igr2= 159, 160, 198, 199,
 &end
#
#   25 LEU  MDY          13 LEU  HB-         4.50    (#   1428:20  Unique    3.92, 5.42 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   4.50    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 198, 199,
 &end
#
#   13 LEU  MDX          13 LEU  HB+         3.50    (#   1430:20  Unique    2.36, 3.31 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 198, 199,
 &end
#
#   48 ALA  MB           13 LEU  HB+         4.50    (#   1431:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1433    14 THR  HB          4.50    (#   1433:20  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 241,1213,
 &end
#
#    0 AMB  20-2:1435    14 THR  HB          4.50    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 229,  16,1258,
 &end
#
#   80 PHE  HN           79 THR  HB          4.50    (#   1439:20  Unique    2.94, 3.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=1268,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1440     0 AMB  20-1:1440   5.50    (#   1440:20  Double Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461, 381,
 igr2= 432, 433, 432, 433,
 &end
#
#   74 HIS  HD2          70 ILE  MD1         7.00    (#   1441:20  Unique    5.50, 6.72 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1121,1122,1123,
 &end
#
#   47 ILE  HA           47 ILE  MD1         4.50    (#   1442:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   75 ALA  HA           70 ILE  MD1         5.50    (#   1444:20  Unique    4.96, 5.79 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1121,1122,1123,
 &end
#
#   16 LEU  HA           70 ILE  MD1         4.50    (#   1445:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD+          70 ILE  MD1         4.50    (#   1446:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD-          70 ILE  MD1         5.50    (#   1447:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HG-          70 ILE  MD1         4.50    (#   1448:20  Unique    2.47, 4.37 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1203,1204,
 igr2=1121,1122,1123,
 &end
#
#   40 LEU  HB-          47 ILE  MD1         7.00    (#   1450:20  Unique    5.45, 7.63 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 640, 641,
 igr2= 765, 766, 767,
 &end
#
#   76 MET  HB+          70 ILE  MD1         4.50    (#   1452:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HB-          70 ILE  MD1         4.50    (#   1453:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:1454     0 AMB  20-1:1454   2.80    (#   1454:20  Double Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1118,1119, 390, 391, 392, 394, 395, 396,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   70 ILE  HG1+         70 ILE  MD1         2.80    (#   1455:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1118,1119,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  HB           47 ILE  MD1         3.50    (#   1456:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HB+          47 ILE  MD1         3.50    (#   1457:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 703, 704,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1458    47 ILE  MD1         2.80    (#   1458:20  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 703, 704, 756,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1459    47 ILE  MD1         3.50    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 706, 707, 706, 707,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HG1-         47 ILE  MD1         2.80    (#   1460:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 762, 763,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HG           28 LEU  HB+         3.50    (#   1462:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           70 ILE  MD1         2.80    (#   1463:20  Unique    2.27, 3.74 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1207,1208,1209,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  MGX          47 ILE  MD1         2.80    (#   1464:20  Unique    2.29, 4.17 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 765, 766, 767,
 &end
#
#   54 THR  HB           56 LEU  HB+         4.50    (#   1473:20  Unique    2.99, 4.01 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1479:20  Unique    2.31, 2.53 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 762, 763,
 &end
#
#   75 ALA  HA           69 LYS  HE-         5.50    (#   1481:20  Unique    4.07, 4.82 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1482     0 AMB  20-1:1482   4.50    (#   1482:20  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1188,  87,  62,
 igr2=1099,1100, 109, 110,
 &end
#
#    0 AMB  20-2:1483     0 AMB  20-1:1483   4.50    (#   1483:20  Double Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 862, 834,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   51 GLU  HG-           0 AMB  20-1:1484   4.50    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 824, 825,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1485     0 AMB  20-1:1485   4.50    (#   1485:20  Double Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1= 821, 822, 821, 822, 821, 822, 588, 589,
 igr2= 572, 573, 572, 573, 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1486     0 AMB  20-1:1486   2.80    (#   1486:20  Double Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 569, 570, 566, 567, 566, 567,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   36 LYS  HG-           0 AMB  20-1:1487   2.80    (#   1487:20  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 566, 567,
 igr2= 572, 573, 572, 573,
 &end
#
#   73 THR  HN           69 LYS  HE-         5.50    (#   1488:20  Unique    4.64, 6.19 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1489     0 AMB  20-1:1489   5.50    (#   1489:20  Double Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  72,  73,  72,  73,
 igr2=1311,1312,1311,1312,
 &end
#
#   72 PRO  HA           69 LYS  HE+         5.50    (#   1490:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1492     0 AMB  20-1:1492   2.80    (#   1492:20  Double Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1324,1325,1324,1325,1324,1325, 616, 617,
 igr2=1333,1334,1333,1334,1333,1334, 785, 786,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1493   4.50    (#   1493:20  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1333,1334,1333,1334,1311,1312,1311,1312,
 &end
#
#   40 LEU  HN           40 LEU  HB+         4.50    (#   1494:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HN           40 LEU  HB-         4.50    (#   1495:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HA           40 LEU  HB+         4.50    (#   1496:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   47 ILE  MG2          47 ILE  HB          2.80    (#   1498:20  Unique    2.39, 2.65 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   81 ALA  HA           12 PHE  HB-         4.50    (#   1500:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   81 ALA  MB           12 PHE  HB-         4.50    (#   1502:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1292,1293,1294,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         78 ILE  HB          4.50    (#   1504:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   66 GLN  HE2-         78 ILE  HB          4.50    (#   1505:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  20-2:1506    78 ILE  HB          4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1215,
 &end
#
#   66 GLN  HA           78 ILE  HB          5.50    (#   1507:20  Unique    3.27, 3.64 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=1044,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          21 ASN  HB+         5.50    (#   1510:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 322, 323,
 &end
#
#   22 GLU  HN           21 ASN  HB-         3.50    (#   1511:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   16 LEU  HN           46 ASP  HB+         4.50    (#   1512:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   21 ASN  HD2+         21 ASN  HB-         4.50    (#   1513:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   46 ASP  HA           46 ASP  HB+         3.50    (#   1515:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#   76 MET  ME           68 PHE  HB+         4.50    (#   1517:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB+         4.50    (#   1520:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   32 PHE  HZ           68 PHE  HB+         7.00    (#   1521:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   65 LEU  HA           68 PHE  HB+         4.50    (#   1522:20  Unique    2.20, 2.90 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   38 VAL  MGY          38 VAL  HB          2.80    (#   1523:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          38 VAL  HB          2.80    (#   1524:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   31 GLN  HB-           0 AMB  20-1:1525   3.50    (#   1525:20  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1526     0 AMB  20-1:1526   3.50    (#   1526:20  Double Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 485, 486, 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#   31 GLN  HN            0 AMB  20-1:1527   3.50    (#   1527:20  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1528     0 AMB  20-1:1528   3.50    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 493, 494, 493, 494,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   2.80    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  64,  65,1046,1047,
 igr2=  67,  68,1049,1050,
 &end
#
#    5 GLN  HB+           5 GLN  HG+         2.80    (#   1532:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  67,  68,
 &end
#
#   31 GLN  HN           29 PHE  HA          4.50    (#   1534:20  Unique    3.19, 3.26 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 481, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 THR  HB            3 THR  HA          3.50    (#   1535:20  Unique    2.53, 2.81 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:1537   3.50    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1324,1325,1324,1325,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1538   4.50    (#   1538:20  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   4.50    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1220,1221,1220,1221,
 igr2=1217,1218,1217,1218,
 &end
#
#   52 PHE  HA           36 LYS  HB-         5.50    (#   1541:20  Unique    2.22, 3.82 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   3.50    (#   1542:20  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564, 563, 564,
 &end
#
#   38 VAL  HN           38 VAL  HB          4.50    (#   1546:20  Unique    2.59, 3.01 A)
 &rst
  ixpk= 1546, nxpk= 20, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD            7 PRO  HA          4.50    (#   1547:20  Unique    3.17, 3.62 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1276,1284,
 &end
#
#   27 MET  HN           26 SER  HB+         4.50    (#   1548:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1548, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HB-         4.50    (#   1549:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HA          5.50    (#   1550:20  Unique    3.60, 3.64 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  HN           26 SER  HB+         5.50    (#   1551:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   25 LEU  HN           26 SER  HB-         5.50    (#   1552:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB-         4.50    (#   1553:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB+         5.50    (#   1554:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HA          4.50    (#   1555:20  Unique    3.16, 3.57 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           26 SER  HA          4.50    (#   1556:20  Unique    2.15, 2.23 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 551, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HA           26 SER  HB+         3.50    (#   1560:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   26 SER  HA           26 SER  HB-         3.50    (#   1563:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   78 ILE  HN           77 LYS  HB-         5.50    (#   1564:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   3.50    (#   1565:20  Double Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1311,1312,1311,1312,1311,1312,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1566     0 AMB  20-1:1566   2.80    (#   1566:20  Double Ambig)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1305,1306,1327,1328,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#   22 GLU  HN           22 GLU  HA          3.50    (#   1567:20  Unique    2.77, 2.80 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 THR  HN           73 THR  HA          4.50    (#   1568:20  Unique    2.22, 2.85 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=1155,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1571    73 THR  HA          5.50    (#   1571:20  Single Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1088,1188,1129,
 &end
#
#    0 AMB  20-2:1572     0 AMB  20-1:1572   2.80    (#   1572:20  Double Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 336, 337,
 igr2= 354, 355, 354, 355,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   2.80    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 415, 416,
 igr2= 354, 355, 354, 355,
 &end
#
#   42 PRO  HG+          42 PRO  HB+         3.50    (#   1574:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   42 PRO  HG-          42 PRO  HB+         3.50    (#   1575:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   38 VAL  HN           37 GLU  HB-         4.50    (#   1578:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:1580     0 AMB  20-1:1580   4.50    (#   1580:20  Double Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 998, 942,
 igr2= 980, 981,  98,  99,
 &end
#
#   80 PHE  HD            0 AMB  20-1:1581   5.50    (#   1581:20  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1276,1284,
 igr2=  98,  99, 980, 981,
 &end
#
#   80 PHE  HD            7 PRO  HB+         4.50    (#   1582:20  Unique    4.70, 5.78 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1276,1284,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB+         4.50    (#   1583:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB-         4.50    (#   1584:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB-         4.50    (#   1585:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB+         3.50    (#   1586:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   4.50    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  95,  96, 162,
 igr2=  98,  99, 980, 981,
 &end
#
#   58 SER  HG           58 SER  HB+         4.50    (#   1590:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#    0 AMB  20-2:1591     0 AMB  20-1:1591   5.50    (#   1591:20  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 836, 837, 836, 837,
 igr2= 935, 936, 935, 936,
 &end
#
#   58 SER  HA           58 SER  HB+         5.50    (#   1592:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB+         4.50    (#   1593:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB-         4.50    (#   1596:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   73 THR  HN           72 PRO  HB+         5.50    (#   1597:20  Unique    2.65, 3.69 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:1598     0 AMB  20-1:1598   4.50    (#   1598:20  Double Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1131,1129,
 igr2=1148,1149,1148,1149,
 &end
#
#    0 AMB  20-2:1600     0 AMB  20-1:1600   3.50    (#   1600:20  Double Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 418, 419, 418, 419, 418, 419,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   42 PRO  HD-          42 PRO  HB-         4.50    (#   1601:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   61 ALA  HN           58 SER  HA          4.50    (#   1603:20  Unique    3.29, 3.42 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 966, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HB-          58 SER  HA          3.50    (#   1604:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   74 HIS  HA           74 HIS  HB-         2.80    (#   1606:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1173,1174,
 &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1613:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   62 LYS  HE+          79 THR  HA          5.50    (#   1614:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   41 VAL  HB           41 VAL  HA          3.50    (#   1615:20  Unique    3.03, 3.04 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1617:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#    0 AMB  20-2:1618     0 AMB  20-1:1618   4.50    (#   1618:20  Double Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704, 678, 679, 159, 160,
 igr2= 657,1256,
 &end
#
#    7 PRO  HD-           6 PRO  HB+         4.50    (#   1620:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   69 LYS  HB+          68 PHE  HA          4.50    (#   1626:20  Unique    4.55, 5.19 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1627    68 PHE  HA          4.50    (#   1627:20  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   65 LEU  MDY          68 PHE  HA          5.50    (#   1628:20  Unique    5.05, 6.76 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   76 MET  HB+          76 MET  HG+         3.50    (#   1629:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#    4 GLU  HG-           4 GLU  HB+         2.80    (#   1631:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#    4 GLU  HG+           4 GLU  HB-         2.80    (#   1632:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#   47 ILE  HA           14 THR  HA          3.50    (#   1634:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 754, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           54 THR  HA          3.50    (#   1636:20  Unique    2.65, 2.68 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HN           14 THR  HA          4.50    (#   1637:20  Unique    2.38, 2.42 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HB           14 THR  HA          3.50    (#   1638:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HA          2.80    (#   1639:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HA          3.50    (#   1640:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#   54 THR  MG2          54 THR  HA          3.50    (#   1641:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 872, 873, 874,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   1644:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   55 GLU  HA            0 AMB  20-1:1645   4.50    (#   1645:20  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#    0 AMB  20-2:1646    36 LYS  HD-         2.80    (#   1646:20  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1647     0 AMB  20-1:1647   2.80    (#   1647:20  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,1099,1100,
 igr2=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,1096,1097,
 &end
#
#   69 LYS  HE+          69 LYS  HD+         2.80    (#   1648:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1649     0 AMB  20-1:1649   2.80    (#   1649:20  Double Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  ME           70 ILE  HG1+        4.50    (#   1652:20  Unique    2.29, 3.31 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1654     0 AMB  20-1:1654   3.50    (#   1654:20  Double Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 432, 433,1096,1097,
 igr2=1118,1119,1118,1119,1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HG1+        3.50    (#   1655:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1656    31 GLN  HB-         2.80    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 488, 489, 488, 489,
 igr2= 485, 486,
 &end
#
#    5 GLN  HG+           5 GLN  HB+         4.50    (#   1657:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#    5 GLN  HG-           5 GLN  HB+         3.50    (#   1658:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#   47 ILE  HB           47 ILE  HA          4.50    (#   1660:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 756, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB-          47 ILE  HA          4.50    (#   1661:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   48 ALA  MB           47 ILE  HA          4.50    (#   1662:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1663    47 ILE  HA          4.50    (#   1663:20  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   13 LEU  HB+          47 ILE  HA          4.50    (#   1664:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HA          3.50    (#   1665:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1665, nxpk= 20, iat= 215, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HN           47 ILE  HA          4.50    (#   1667:20  Unique    2.91, 2.93 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 752, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           47 ILE  HA          4.50    (#   1668:20  Unique    4.09, 4.18 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 227, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HA           31 GLN  HB+         3.50    (#   1670:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1670, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#    2 GLN  HG+           2 GLN  HB+         2.80    (#   1672:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  21,  22,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:1673     0 AMB  20-1:1673   2.80    (#   1673:20  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  52,  53,  21,  22,1005,1006,
 igr2=  18,  19,1002,1003,
 &end
#
#   60 ALA  MB           57 GLN  HA          3.50    (#   1674:20  Unique    2.55, 3.47 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 960, 961, 962,
 &end
#
#   57 GLN  HB-          57 GLN  HA          4.50    (#   1675:20  Unique    2.49, 2.77 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  20-2:1676    57 GLN  HA          4.50    (#   1676:20  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 956, 926, 927,
 &end
#
#   58 SER  HN           57 GLN  HA          4.50    (#   1677:20  Unique    3.58, 3.64 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 931, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HB+          59 ASN  HA          4.50    (#   1678:20  Unique    2.25, 3.07 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          56 LEU  HA          2.80    (#   1679:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#   60 ALA  HN           56 LEU  HA          4.50    (#   1680:20  Unique    3.87, 3.99 A)
 &rst
  ixpk= 1680, nxpk= 20, iat= 956, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HD+          39 ARG  HG+         4.50    (#   1681:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD+          39 ARG  HG-         4.50    (#   1682:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1683     0 AMB  20-1:1683   4.50    (#   1683:20  Double Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620, 619, 620, 619, 620,
 &end
#
#    0 AMB  20-2:1684    39 ARG  HG-         4.50    (#   1684:20  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.50    (#   1685:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1686     0 AMB  20-1:1686   5.50    (#   1686:20  Double Ambig)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  87, 638,
 igr2=  95,  96, 390, 391, 392, 394, 395, 396,
 &end
#
#    7 PRO  HB-           7 PRO  HG-         3.50    (#   1687:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB-           7 PRO  HG+         3.50    (#   1688:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB+           7 PRO  HG+         3.50    (#   1689:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#   49 PHE  HD           49 PHE  HA          4.50    (#   1692:20  Unique    3.01, 3.60 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#    0 AMB  20-2:1693    49 PHE  HA          5.50    (#   1693:20  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 598, 614,
 &end
#
#   49 PHE  HB-          49 PHE  HA          4.50    (#   1694:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:1696    49 PHE  HA          4.50    (#   1696:20  Single Ambig)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 805, 201,
 &end
#
#   48 ALA  MB           49 PHE  HA          5.50    (#   1697:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1698     0 AMB  20-1:1698   3.50    (#   1698:20  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  52,  53,  21,  22,
 igr2=  47,  16,
 &end
#
#    4 GLU  HB+           4 GLU  HA          2.80    (#   1699:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  49,  50,
 &end
#
#    0 AMB  20-2:1700     0 AMB  20-1:1700   2.80    (#   1700:20  Double Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  49,  50,  18,  19,
 igr2=  47,  16,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1706   3.50    (#   1706:20  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1300,1322,
 &end
#
#   56 LEU  HA            7 PRO  HG-         5.50    (#   1708:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   40 LEU  HN           40 LEU  HG          4.50    (#   1709:20  Unique    2.52, 2.73 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 636, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1710     0 AMB  20-1:1710   4.50    (#   1710:20  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987, 986, 987,
 &end
#
#    0 AMB  20-2:1711    62 LYS  HD-         4.50    (#   1711:20  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987,
 &end
#
#   74 HIS  HB-          74 HIS  HA          4.50    (#   1714:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   12 PHE  HB+          12 PHE  HA          4.50    (#   1715:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB-          12 PHE  HA          4.50    (#   1716:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   49 PHE  HA           12 PHE  HA          4.50    (#   1718:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 1718, nxpk= 20, iat= 783, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HD           12 PHE  HA          4.50    (#   1719:20  Unique    2.15, 3.45 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 190,
 &end
#
#    8 ASN  HD2-         51 GLU  HA          7.00    (#   1720:20  Unique    6.54, 7.24 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 114, 115,
 &end
#
#   49 PHE  HD           12 PHE  HA          4.50    (#   1721:20  Unique    2.86, 4.09 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#   12 PHE  HN           12 PHE  HA          5.50    (#   1722:20  Unique    2.96, 2.97 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  MB           12 PHE  HA          5.50    (#   1723:20  Unique    3.60, 4.92 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1724    12 PHE  HA          5.50    (#   1724:20  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 199, 805, 201,
 &end
#
#   59 ASN  HD2+         60 ALA  HA          4.50    (#   1725:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   59 ASN  HD2-         60 ALA  HA          4.50    (#   1726:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   60 ALA  MB           60 ALA  HA          2.80    (#   1727:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 960, 961, 962,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   1729:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#   43 ASN  HD2+         43 ASN  HA          5.50    (#   1731:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#    0 AMB  20-2:1734    69 LYS  HA          3.50    (#   1734:20  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   69 LYS  HB-          69 LYS  HA          4.50    (#   1735:20  Unique    2.41, 2.77 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1736    69 LYS  HA          3.50    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1090,1091,
 &end
#
#   70 ILE  HN           69 LYS  HA          3.50    (#   1737:20  Unique    2.18, 2.21 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=1108,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG-          56 LEU  MDX         4.50    (#   1738:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1739    56 LEU  MDX         2.80    (#   1739:20  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDX         2.80    (#   1740:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.50    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 igr2=1327,1328,1327,1328,1327,1328,1305,1306,
 &end
#
#    0 AMB  20-2:1742     0 AMB  20-1:1742   3.50    (#   1742:20  Double Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567, 566, 567,
 &end
#
#    0 AMB  20-2:1743    36 LYS  HG-         3.50    (#   1743:20  Single Ambig)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG+         4.50    (#   1744:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG-         4.50    (#   1745:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1745, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG+         4.50    (#   1746:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1746, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG-         5.50    (#   1747:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG+         3.50    (#   1748:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG-         3.50    (#   1749:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   28 LEU  HB-          28 LEU  MDY         3.50    (#   1753:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HG           28 LEU  MDY         3.50    (#   1754:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1754, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HB+          28 LEU  MDY         2.80    (#   1755:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDX          28 LEU  MDY         3.50    (#   1756:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1758    28 LEU  MDY         2.80    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1207,1208,1209, 422, 423, 424, 368, 369,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDX          28 LEU  MDY         4.50    (#   1759:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1762    28 LEU  MDY         5.50    (#   1762:20  Single Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDY          28 LEU  MDY         4.50    (#   1763:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   58 SER  HB+          11 LEU  MDX         5.50    (#   1765:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HB-          11 LEU  MDX         4.50    (#   1766:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HA           11 LEU  MDX         5.50    (#   1767:20  Unique    3.13, 5.09 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HG           11 LEU  MDX         3.50    (#   1768:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  HB           11 LEU  MDX         4.50    (#   1769:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HB-          11 LEU  MDX         4.50    (#   1770:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGX          11 LEU  MDX         4.50    (#   1772:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGY          11 LEU  MDX         4.50    (#   1773:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1774    56 LEU  MDX         4.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 921, 922, 921, 922,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HB-          82 LYS  HG+         7.00    (#   1776:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 109, 110,
 igr2=1305,1306,
 &end
#
#    0 AMB  20-2:1777     0 AMB  20-1:1777   2.80    (#   1777:20  Double Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1217,1218,1217,1218,1226,1227,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#   50 VAL  MGY          13 LEU  MDX         4.50    (#   1781:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGY          13 LEU  MDY         3.50    (#   1782:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDX         4.50    (#   1783:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1784    13 LEU  MDX         2.80    (#   1784:20  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDY         3.50    (#   1785:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1786    13 LEU  MDY         3.50    (#   1786:20  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1787    13 LEU  MDY         2.80    (#   1787:20  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 198, 199, 201,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1788    13 LEU  MDX         2.80    (#   1788:20  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 201, 805,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDX         4.50    (#   1789:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDY         4.50    (#   1790:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDY         3.50    (#   1791:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDX         3.50    (#   1792:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  HG+          13 LEU  MDX         3.50    (#   1793:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDX         5.50    (#   1794:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDY         5.50    (#   1795:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDY         5.50    (#   1796:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1797    40 LEU  MDX         3.50    (#   1797:20  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1798    25 LEU  HG          5.50    (#   1798:20  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 368, 369, 339, 340,
 &end
#
#    0 AMB  20-2:1799    25 LEU  HG          4.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 368, 369,1207,1208,1209,
 &end
#
#   25 LEU  MDY          25 LEU  HG          3.50    (#   1800:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  HG          4.50    (#   1801:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#   20 THR  MG2          25 LEU  HG          2.80    (#   1802:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1803    25 LEU  HG          3.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 &end
#
#   40 LEU  MDY          25 LEU  HG          3.50    (#   1804:20  Unique    2.79, 5.16 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   50 VAL  MGX          25 LEU  HG          5.50    (#   1805:20  Unique    5.78, 7.56 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   16 LEU  HB+          16 LEU  HG          3.50    (#   1806:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   16 LEU  HB-          16 LEU  HG          3.50    (#   1807:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   13 LEU  HB-          16 LEU  HG          4.50    (#   1808:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#    0 AMB  20-2:1809    16 LEU  HG          4.50    (#   1809:20  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777, 310, 311, 312,
 &end
#
#   70 ILE  MD1          16 LEU  HG          4.50    (#   1810:20  Unique    4.83, 4.96 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  MDX          16 LEU  HG          2.80    (#   1811:20  Unique    2.38, 2.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:1812     0 AMB  20-1:1812   2.80    (#   1812:20  Double Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1308,1309,1308,1309,1226,1227,1226,1227,
 igr2=1305,1306,1305,1306,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:1813     0 AMB  20-1:1813   2.80    (#   1813:20  Double Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      
 igr2=1305,1306,1327,1328,1327,1328,1327,1328,
 &end
#
#   76 MET  ME           65 LEU  MDX         4.50    (#   1814:20  Unique    3.06, 5.76 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1815    65 LEU  MDX         4.50    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 485, 486,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   64 ALA  MB           65 LEU  MDX         4.50    (#   1816:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1017,1018,1019,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1817    65 LEU  MDX         2.80    (#   1817:20  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDX         3.50    (#   1818:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HB+          65 LEU  MDX         3.50    (#   1819:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           65 LEU  MDX         4.50    (#   1820:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 970, 971, 972,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          65 LEU  MDX         3.50    (#   1821:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  HA           65 LEU  MDX         5.50    (#   1823:20  Unique    4.36, 5.79 A)
 &rst
  ixpk= 1823, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   21 ASN  HB+          40 LEU  MDX         5.50    (#   1824:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1825    40 LEU  MDX         3.50    (#   1825:20  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDX         3.50    (#   1826:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB+          40 LEU  MDX         4.50    (#   1827:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDX         2.80    (#   1828:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         2.80    (#   1829:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDX         2.80    (#   1830:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1830, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  HA          4.50    (#   1836:20  Unique    2.91, 2.96 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 636, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HB-          40 LEU  HA          4.50    (#   1837:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 640, 641,
 &end
#
#   40 LEU  HB+          40 LEU  HA          3.50    (#   1838:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   1839:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HG+           5 GLN  HA          4.50    (#   1840:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HG-           5 GLN  HA          4.50    (#   1841:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.50    (#   1842:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#    5 GLN  HB-           5 GLN  HA          3.50    (#   1843:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#   1844:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1845     0 AMB  20-1:1845   3.50    (#   1845:20  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 250, 251, 252, 254, 255, 256, 645, 646, 647, 649,
       650, 651,
 igr2= 243, 773,
 &end
#
#   40 LEU  HA           48 ALA  HA          3.50    (#   1846:20  Unique    2.29, 2.54 A)
 &rst
  ixpk= 1846, nxpk= 20, iat= 638, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 VAL  HN           48 ALA  HA          4.50    (#   1847:20  Unique    2.50, 3.28 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 655, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD+          16 LEU  HA          4.50    (#   1849:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:1850    81 ALA  HA          4.50    (#   1850:20  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 795, 114, 115,
 &end
#
#    0 AMB  20-2:1852    81 ALA  HA          4.50    (#   1852:20  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1308,1309,1308,1309,
 &end
#
#    0 AMB  20-2:1853    81 ALA  HA          2.80    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1292,1293,1294,1305,1306,
 &end
#
#   29 PHE  HB+          50 VAL  MGY         4.50    (#   1854:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HB+          50 VAL  MGY         4.50    (#   1855:20  Unique    3.60, 5.05 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGY         2.80    (#   1856:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1856, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGY         4.50    (#   1857:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGY         3.50    (#   1858:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   25 LEU  MDX          50 VAL  MGY         2.80    (#   1860:20  Unique    3.26, 6.69 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   76 MET  HB-           0 AMB  20-1:1862   4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1200,1201,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1863     0 AMB  20-1:1863   2.80    (#   1863:20  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1207,1208,1209, 422, 423, 424,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   28 LEU  HB-           0 AMB  20-1:1864   3.50    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1865     0 AMB  20-1:1865   2.80    (#   1865:20  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 435,1017,1018,1019,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1866     0 AMB  20-1:1866   2.80    (#   1866:20  Double Ambig)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 432, 433, 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1867    65 LEU  MDY         2.80    (#   1867:20  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDY         3.50    (#   1868:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  MDX         3.50    (#   1869:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1871    28 LEU  MDX         4.50    (#   1871:20  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1873    28 LEU  MDX         5.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HB+          65 LEU  MDY         4.50    (#   1874:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HB-          65 LEU  MDY         4.50    (#   1875:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1877    40 LEU  MDY         3.50    (#   1877:20  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDY         3.50    (#   1878:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDY         2.80    (#   1879:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDY         2.80    (#   1880:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1880, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1881    40 LEU  MDY         2.80    (#   1881:20  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 775, 776, 777, 310, 311, 312,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1882    25 LEU  MDX         2.80    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1207,1208,1209, 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  MDX         3.50    (#   1884:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 385, 386,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1885    25 LEU  MDX         2.80    (#   1885:20  Single Ambig)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 310, 311, 312, 775, 776, 777,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   24 MET  HB+          25 LEU  MDX         4.50    (#   1887:20  Unique    3.10, 5.42 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   22 GLU  HA           25 LEU  MDX         4.50    (#   1888:20  Unique    3.52, 5.52 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1891    25 LEU  MDX         2.80    (#   1891:20  Single Ambig)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  MDX         2.80    (#   1892:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1892, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  HB           14 THR  MG2         4.50    (#   1893:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1893, nxpk= 20, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1894    14 THR  MG2         4.50    (#   1894:20  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1226,1227,1223,1224,1223,1224,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1895    14 THR  MG2         4.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1220,1221,1220,1221, 198, 199,1260,1261,1262,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1896    14 THR  MG2         4.50    (#   1896:20  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1226,1227,1217,1218,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1898     0 AMB  20-1:1898   4.50    (#   1898:20  Double Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 672, 673, 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   42 PRO  HD-           0 AMB  20-1:1899   4.50    (#   1899:20  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HB            0 AMB  20-1:1900   2.80    (#   1900:20  Single Ambig)
 &rst
  ixpk= 1900, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1901     0 AMB  20-1:1901   3.50    (#   1901:20  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 678, 679, 640, 641, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1902     0 AMB  20-1:1902   3.50    (#   1902:20  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HB-           0 AMB  20-1:1903   3.50    (#   1903:20  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HD           79 THR  MG2         5.50    (#   1904:20  Unique    3.11, 6.56 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1906    79 THR  MG2         4.50    (#   1906:20  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 178, 179,  67,  68,
 igr2=1260,1261,1262,
 &end
#
#    2 GLN  HG+          79 THR  MG2         3.50    (#   1907:20  Unique    2.30, 4.79 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  21,  22,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1908    79 THR  MG2         4.50    (#   1908:20  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1223,1224,1223,1224,1308,1309,1308,1309,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1909    61 ALA  MB          5.50    (#   1909:20  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1911    47 ILE  MG2         2.80    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 703, 704,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  MG2          47 ILE  MG2         2.80    (#   1912:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 219, 220, 221,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HG1-         47 ILE  MG2         3.50    (#   1913:20  Unique    2.31, 3.44 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763,
 igr2= 758, 759, 760,
 &end
#
#   38 VAL  MGX          25 LEU  HB-         4.50    (#   1917:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB-         4.50    (#   1918:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB-         2.80    (#   1919:20  Unique         2.37, 3.35 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB-         4.50    (#   1921:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    0 AMB  20-2:1922    25 LEU  HB-         4.50    (#   1922:20  Single Ambig)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 381, 457, 461,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB+         4.50    (#   1923:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGX          25 LEU  HB+         4.50    (#   1925:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB+         4.50    (#   1926:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB+         4.50    (#   1927:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HG           25 LEU  HB+         5.50    (#   1928:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 385, 386,
 &end
#
#   39 ARG  HG+          39 ARG  HD-         3.50    (#   1929:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD-         4.50    (#   1930:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD+         4.50    (#   1931:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   44 ARG  HB-          44 ARG  HD-         5.50    (#   1932:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD-         4.50    (#   1933:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB-          44 ARG  HD+         5.50    (#   1934:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD+         4.50    (#   1935:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD-         5.50    (#   1936:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD+         5.50    (#   1937:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   44 ARG  HD-          47 ILE  MD1         4.50    (#   1941:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HD+          47 ILE  MD1         5.50    (#   1942:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1943    10 ILE  MD1         3.50    (#   1943:20  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 126, 127, 126, 127,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG+          10 ILE  MD1         3.50    (#   1944:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG-          10 ILE  MD1         4.50    (#   1945:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1946    10 ILE  MD1         3.50    (#   1946:20  Single Ambig)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1327,1328,1327,1328,
 igr2= 149, 150, 151,
 &end
#
#   10 ILE  MG2          10 ILE  MD1         2.80    (#   1947:20  Unique    2.22, 3.67 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1949    10 ILE  MD1         2.80    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1324,1325,1324,1325, 140,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1950    10 ILE  MD1         2.80    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1330,1331,1330,1331,
 igr2= 149, 150, 151,
 &end
#
#   66 GLN  HE2-         62 LYS  HE+         5.50    (#   1955:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2-         62 LYS  HE-         5.50    (#   1956:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2+         62 LYS  HE-         4.50    (#   1957:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE+         5.50    (#   1960:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE-         5.50    (#   1961:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1962    62 LYS  HE-         5.50    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1963     0 AMB  20-1:1963   5.50    (#   1963:20  Double Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990, 989, 990,
 &end
#
#    4 GLU  HN            3 THR  HB          4.50    (#   1966:20  Unique    2.02, 3.45 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  45,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HN           29 PHE  HB-         4.50    (#   1968:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   35 PHE  HZ           29 PHE  HB-         4.50    (#   1969:20  Unique    3.74, 4.43 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB-         4.50    (#   1970:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   25 LEU  HA           28 LEU  HB-         5.50    (#   1971:20  Unique    2.33, 3.26 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           28 LEU  HB-         4.50    (#   1972:20  Unique    3.52, 4.70 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2= 432, 433,
 &end
#
#   12 PHE  HN           49 PHE  HB-         7.00    (#   1973:20  Unique    5.76, 6.71 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 785, 786,
 &end
#
#   65 LEU  MDY           0 AMB  20-1:1975   4.50    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   68 PHE  HA           68 PHE  HB-         4.50    (#   1982:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   76 MET  ME           68 PHE  HB-         4.50    (#   1983:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:1986     0 AMB  20-1:1986   4.50    (#   1986:20  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 519, 520, 469,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HN            0 AMB  20-1:1989   4.50    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HA           32 PHE  HB-         5.50    (#   1991:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   30 ASN  HA           35 PHE  HB-         5.50    (#   1993:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   20 THR  HA           20 THR  HB          3.50    (#   1995:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1996    20 THR  HB          5.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 368, 369, 281, 282, 281, 282,1207,1208,1209,
 &end
#
#   15 ASN  HN           15 ASN  HB+         4.50    (#   1997:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   76 MET  HA           15 ASN  HB+         4.50    (#   1998:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:1999    15 ASN  HB-         5.50    (#   1999:20  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2001    70 ILE  HB          5.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1131,1188,1129,
 &end
#
#   76 MET  ME           70 ILE  HB          4.50    (#   2003:20  Unique    4.96, 5.64 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#   70 ILE  HG1+         70 ILE  HB          4.50    (#   2004:20  Unique    2.55, 2.80 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1119,
 &end
#
#    0 AMB  20-2:2005    10 ILE  HB          4.50    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 &end
#
#   53 THR  HB           53 THR  HA          3.50    (#   2006:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 856, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HD+          53 THR  HA          4.50    (#   2007:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 569, 570,
 &end
#
#   54 THR  HN           53 THR  HA          4.50    (#   2008:20  Unique    3.61, 3.63 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 866, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HE2+         53 THR  HA          5.50    (#   2009:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    0 AMB  20-2:2010    20 THR  HA          4.50    (#   2010:20  Single Ambig)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 291,
 &end
#
#    0 AMB  20-2:2011    72 PRO  HA          5.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1129,1131,
 &end
#
#   69 LYS  HD+          72 PRO  HA          4.50    (#   2012:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2013    72 PRO  HA          4.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1090,1091,1096,1097,1093,1094,
 &end
#
#   69 LYS  HB-          72 PRO  HA          5.50    (#   2014:20  Unique    2.45, 3.43 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1090,1091,
 &end
#
#   64 ALA  HN           63 GLU  HG-         4.50    (#   2015:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG+         5.50    (#   2016:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG-         5.50    (#   2017:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#    7 PRO  HD-           6 PRO  HA          2.80    (#   2018:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#    6 PRO  HB+           6 PRO  HA          2.80    (#   2019:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  84,  85,
 &end
#
#    6 PRO  HG+           6 PRO  HA          4.50    (#   2020:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#    6 PRO  HB-           6 PRO  HA          3.50    (#   2021:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  84,  85,
 &end
#
#    7 PRO  HG-           6 PRO  HA          5.50    (#   2022:20  Unique    4.32, 4.56 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  95,  96,
 &end
#
#   17 PRO  HB+          17 PRO  HA          3.50    (#   2023:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 267, 268,
 &end
#
#   11 LEU  HN           11 LEU  MDX         4.50    (#   2024:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HN           11 LEU  MDY         5.50    (#   2025:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   41 VAL  HN           48 ALA  MB          5.50    (#   2026:20  Unique    4.02, 5.05 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   11 LEU  HN           50 VAL  MGY         5.50    (#   2027:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN            0 AMB  20-1:2028   4.50    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#   78 ILE  HN           78 ILE  HB          5.50    (#   2029:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN            0 AMB  20-1:2030   5.50    (#   2030:20  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1223,1224,1223,1224,
 &end
#
#   12 PHE  HN           81 ALA  HA          4.50    (#   2031:20  Unique    3.61, 3.98 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 174,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN           55 GLU  HA          4.50    (#   2032:20  Unique    3.44, 3.50 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 119, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HN           27 MET  HA          5.50    (#   2033:20  Unique    5.31, 5.39 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           24 MET  HA          5.50    (#   2034:20  Unique    4.43, 4.53 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 400, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           22 GLU  HA          5.50    (#   2036:20  Unique    3.95, 4.12 A)
 &rst
  ixpk= 2036, nxpk= 20, iat= 400, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#   2037:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 2037, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   13 LEU  HN           13 LEU  HA          4.50    (#   2039:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           11 LEU  HA          4.50    (#   2040:20  Unique    2.15, 2.47 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=1288, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2042     0 AMB  20-1:2042   4.50    (#   2042:20  Double Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 712, 817,
 igr2= 703, 704, 821, 822, 821, 822,
 &end
#
#   15 ASN  HN           16 LEU  HG          4.50    (#   2044:20  Unique    4.02, 4.13 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:2047   4.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1330,1331,1330,1331,
 &end
#
#   82 LYS  HN            0 AMB  20-1:2048   4.50    (#   2048:20  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   83 LYS  HN            0 AMB  20-1:2049   4.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   23 MET  HN           40 LEU  MDX         4.50    (#   2050:20  Unique    4.82, 6.37 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2051     0 AMB  20-1:2051   5.50    (#   2051:20  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:2052     0 AMB  20-1:2052   5.50    (#   2052:20  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   2054:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HB+         4.50    (#   2057:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   75 ALA  HN           75 ALA  MB          4.50    (#   2060:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   63 GLU  HN           64 ALA  HA          5.50    (#   2062:20  Unique    5.34, 5.37 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 998,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HN           16 LEU  HA          4.50    (#   2064:20  Unique    2.90, 2.94 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           69 LYS  HD+         4.50    (#   2065:20  Unique    4.20, 4.42 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   77 LYS  HN           13 LEU  HG          5.50    (#   2066:20  Unique    4.25, 4.46 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=1213, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2067     0 AMB  20-1:2067   4.50    (#   2067:20  Double Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1096,1097, 201,
 &end
#
#    0 AMB  20-2:2068    78 ILE  MD1         5.50    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 998,1213,
 igr2=1248,1249,1250,
 &end
#
#   27 MET  HN           38 VAL  MGX         5.50    (#   2069:20  Unique    5.33, 6.94 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   59 ASN  HN           56 LEU  MDY         7.00    (#   2070:20  Unique    5.12, 6.82 A)
 &rst
  ixpk= 2070, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   15 ASN  HD2+         74 HIS  HA          4.50    (#   2071:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#   27 MET  HN           24 MET  HA          4.50    (#   2072:20  Unique    3.59, 3.67 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 411, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 MET  HN           23 MET  HA          4.50    (#   2073:20  Unique    3.73, 3.83 A)
 &rst
  ixpk= 2073, nxpk= 20, iat= 411, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ALA  HN           59 ASN  HA          3.50    (#   2076:20  Unique    3.56, 3.57 A)
 &rst
  ixpk= 2076, nxpk= 20, iat= 956, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           24 MET  HA          4.50    (#   2078:20  Unique    3.54, 3.55 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 381, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           65 LEU  HA          4.50    (#   2079:20  Unique    3.35, 3.37 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=1042,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2-         27 MET  HA          4.50    (#   2080:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   57 GLN  HE2+         53 THR  MG2         4.50    (#   2081:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   52 PHE  HD           11 LEU  MDX         4.50    (#   2082:20  Unique    2.66, 6.42 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 840, 848,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HN           40 LEU  MDY         5.50    (#   2083:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   12 PHE  HE           14 THR  MG2         4.50    (#   2084:20  Unique    2.71, 4.03 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 219, 220, 221,
 &end
#
#   21 ASN  HN           20 THR  MG2         3.50    (#   2085:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 2085, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   12 PHE  HE           48 ALA  HA          5.50    (#   2086:20  Unique    4.52, 6.57 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 188,
 &end
#
#   35 PHE  HZ           26 SER  HB-         4.50    (#   2092:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   35 PHE  HZ           26 SER  HB+         5.50    (#   2093:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2093, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   49 PHE  HE           12 PHE  HA          5.50    (#   2094:20  Unique    3.83, 4.93 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   43 ASN  HD2-         43 ASN  HB+         4.50    (#   2095:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   28 LEU  HN           27 MET  HA          4.50    (#   2096:20  Unique    3.56, 3.60 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 428, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HG1+        4.50    (#   2097:20  Unique    3.14, 5.52 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1076,1080,
 igr2=1118,1119,
 &end
#
#   12 PHE  HE           49 PHE  HB+         7.00    (#   2099:20  Unique    6.05, 7.95 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 184, 188,
 igr2= 785, 786,
 &end
#
#   49 PHE  HD           49 PHE  HB-         4.50    (#   2100:20  Unique    2.35, 3.08 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 797,
 igr2= 785, 786,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2101:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   59 ASN  HD2-          0 AMB  20-1:2102   5.50    (#   2102:20  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#   28 LEU  HN           30 ASN  HB+         5.50    (#   2103:20  Unique    4.70, 5.25 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2105:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#    9 GLN  HE2-         53 THR  HA          5.50    (#   2106:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    8 ASN  HD2-          8 ASN  HB+         4.50    (#   2108:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#   60 ALA  HN           56 LEU  MDY         7.00    (#   2109:20  Unique    5.51, 7.15 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   68 PHE  HD           70 ILE  HG1+        4.50    (#   2117:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HG1-        4.50    (#   2118:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HA          4.50    (#   2119:20  Unique    3.09, 4.88 A)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   57 GLN  HE2-         53 THR  MG2         4.50    (#   2120:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   31 GLN  HN           30 ASN  HA          4.50    (#   2122:20  Unique    3.47, 3.50 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ASN  HB+         4.50    (#   2123:20  Unique    3.12, 3.87 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB+         4.50    (#   2129:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   35 PHE  HD           35 PHE  HB-         4.50    (#   2130:20  Unique         2.26, 3.06 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   35 PHE  HD           35 PHE  HB+         3.50    (#   2131:20  Unique    2.26, 3.06 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   49 PHE  HA           13 LEU  MDY         5.50    (#   2133:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2133, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           48 ALA  MB          5.50    (#   2135:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2136    48 ALA  MB          5.50    (#   2136:20  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 176,
 igr2= 775, 776, 777,
 &end
#
#   14 THR  HA           15 ASN  HA          4.50    (#   2138:20  Unique    4.42, 4.46 A)
 &rst
  ixpk= 2138, nxpk= 20, iat= 215, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           81 ALA  HA          4.50    (#   2139:20  Unique    4.09, 4.38 A)
 &rst
  ixpk= 2139, nxpk= 20, iat= 157,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ALA  HA           49 PHE  HB-         5.50    (#   2152:20  Unique    4.58, 5.25 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#   59 ASN  HA            0 AMB  20-1:2155   4.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   79 THR  HA           78 ILE  MG2         5.50    (#   2156:20  Unique    3.48, 4.75 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#   48 ALA  HA           38 VAL  MGY         5.50    (#   2157:20  Unique    5.07, 7.35 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   48 ALA  HA           13 LEU  MDY         7.00    (#   2158:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2158, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2159    25 LEU  HG          7.00    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 773, 243,
 &end
#
#   66 GLN  HA           66 GLN  HG+         4.50    (#   2165:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   68 PHE  HA           68 PHE  HB+         4.50    (#   2166:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   28 LEU  HA           28 LEU  HG          4.50    (#   2168:20  Unique    2.88, 2.93 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PRO  HG-          33 PRO  HD-         4.50    (#   2179:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   42 PRO  HG+          42 PRO  HD-         3.50    (#   2180:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG+          42 PRO  HD+         3.50    (#   2181:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   29 PHE  HB-          50 VAL  MGY         4.50    (#   2183:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:2184    13 LEU  MDX         5.50    (#   2184:20  Single Ambig)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   62 LYS  HE-          62 LYS  HD-         4.50    (#   2185:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#   62 LYS  HE-          62 LYS  HD+         4.50    (#   2186:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#    0 AMB  20-2:2192    11 LEU  MDY         4.50    (#   2192:20  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2193    56 LEU  MDY         4.50    (#   2193:20  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HB+          62 LYS  HA          4.50    (#   2194:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   2196:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   25 LEU  MDY          38 VAL  MGX         3.50    (#   2197:20  Unique    2.35, 5.62 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2198    41 VAL  MGX         4.50    (#   2198:20  Single Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   39 ARG  HG+          38 VAL  MGX         5.50    (#   2199:20  Unique    4.95, 7.34 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2201     0 AMB  20-1:2201   2.80    (#   2201:20  Double Ambig)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   76 MET  HG+          76 MET  HB+         3.50    (#   2202:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   76 MET  HG+          76 MET  HB-         3.50    (#   2203:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   26 SER  HB+          26 SER  HA          3.50    (#   2205:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#    0 AMB  20-2:2208     0 AMB  20-1:2208   5.50    (#   2208:20  Double Ambig)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 942,1108,
 igr2= 933,1173,1174,
 &end
#
#    0 AMB  20-2:2209     0 AMB  20-1:2209   5.50    (#   2209:20  Double Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 213,1059,
 igr2=1203,1204,1203,1204,
 &end
#
#   77 LYS  HN            0 AMB  20-1:2210   4.50    (#   2210:20  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1203,1204,1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2211:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2212    76 MET  HG-         5.50    (#   2212:20  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2213    76 MET  HG-         4.50    (#   2213:20  Single Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG+         3.50    (#   2214:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG-         3.50    (#   2215:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB+          76 MET  HG-         3.50    (#   2216:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG-         4.50    (#   2217:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG+         4.50    (#   2218:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2219    76 MET  HG-         5.50    (#   2219:20  Single Ambig)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 213,1059,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG+         4.50    (#   2220:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2221:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#   55 GLU  HG+          55 GLU  HA          3.50    (#   2222:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:2223    55 GLU  HA          4.50    (#   2223:20  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 126, 127, 126, 127, 921, 922, 921, 922,
 &end
#
#    0 AMB  20-2:2226     0 AMB  20-1:2226   5.50    (#   2226:20  Double Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 231, 232, 231, 232,
 igr2=1220,1221,1220,1221,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.50    (#   2227:20  Unique    2.34, 2.78 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   50 VAL  HN           13 LEU  MDX         4.50    (#   2228:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HN           13 LEU  MDY         4.50    (#   2229:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2229, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDY         5.50    (#   2231:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2232    13 LEU  MDY         4.50    (#   2232:20  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   22 GLU  HA           25 LEU  HG          5.50    (#   2234:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 2234, nxpk= 20, iat= 334, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LEU  HA           16 LEU  HG          5.50    (#   2235:20  Unique    5.22, 5.37 A)
 &rst
  ixpk= 2235, nxpk= 20, iat= 196, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           16 LEU  HG          5.50    (#   2236:20  Unique    3.05, 3.21 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 215, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           16 LEU  HG          4.50    (#   2237:20  Unique    3.65, 3.86 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 742, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           16 LEU  HG          5.50    (#   2238:20  Unique    4.43, 4.51 A)
 &rst
  ixpk= 2238, nxpk= 20, iat= 752, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2239    11 LEU  MDY         4.50    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 933, 109, 110,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HB+          40 LEU  MDY         4.50    (#   2240:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#   2241:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 775, 776, 777,
 &end
#
#   13 LEU  HB+          48 ALA  MB          3.50    (#   2242:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 198, 199,
 igr2= 775, 776, 777,
 &end
#
#   55 GLU  HG-          56 LEU  MDY         4.50    (#   2243:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:2244    56 LEU  MDY         2.80    (#   2244:20  Single Ambig)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDY         3.50    (#   2245:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   11 LEU  MDY          11 LEU  HA          3.50    (#   2246:20  Unique    2.11, 3.85 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2247    13 LEU  HA          3.50    (#   2247:20  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 201, 198, 199,
 &end
#
#    0 AMB  20-2:2248     0 AMB  20-1:2248   3.50    (#   2248:20  Double Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 159, 160, 198, 199,
 igr2= 157, 196,
 &end
#
#   78 ILE  HA           13 LEU  HA          4.50    (#   2249:20  Unique    2.37, 2.43 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=1237, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 THR  HN            0 AMB  20-1:2250   4.50    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 196, 157,
 &end
#
#   13 LEU  MDX          13 LEU  HA          3.50    (#   2251:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   13 LEU  MDY          13 LEU  HA          3.50    (#   2252:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  MG2          13 LEU  HA          4.50    (#   2253:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#   39 ARG  HN           48 ALA  MB          5.50    (#   2254:20  Unique    3.50, 4.80 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   47 ILE  HA           48 ALA  MB          5.50    (#   2255:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   22 GLU  HA            0 AMB  20-1:2256   5.50    (#   2256:20  Single Ambig)
 &rst
  ixpk= 2256, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 310, 311, 312, 775, 776, 777,
 &end
#
#   55 GLU  HN           53 THR  MG2         5.50    (#   2257:20  Unique    5.93, 6.94 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:2259    25 LEU  MDX         4.50    (#   2259:20  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 245, 246,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   65 LEU  MDY          64 ALA  HA          5.50    (#   2261:20  Unique    4.83, 6.54 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  HB-         5.50    (#   2262:20  Unique    3.44, 6.02 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          81 ALA  MB          5.50    (#   2266:20  Unique    4.75, 7.55 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2=1292,1293,1294,
 &end
#
#   47 ILE  MD1          47 ILE  HA          4.50    (#   2267:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   47 ILE  MD1          47 ILE  HG1-        3.50    (#   2269:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 765, 766, 767,
 igr2= 762, 763,
 &end
#
#   47 ILE  MG2          14 THR  MG2         3.50    (#   2271:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 758, 759, 760,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  MG2          47 ILE  HA          3.50    (#   2272:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2273    79 THR  HA          4.50    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HD+          59 ASN  HA          4.50    (#   2274:20  Unique    2.72, 3.82 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   70 ILE  MD1          70 ILE  HG1+        3.50    (#   2275:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2278    41 VAL  HB          2.80    (#   2278:20  Single Ambig)
 &rst
  ixpk= 2278, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2283    59 ASN  HA          3.50    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 986, 987, 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2284    83 LYS  HA          4.50    (#   2284:20  Single Ambig)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 149, 150, 151, 146, 147,
 &end
#
#   25 LEU  HG           25 LEU  MDY         4.50    (#   2285:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2285, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   69 LYS  HG+          72 PRO  HD+         4.50    (#   2286:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   2287:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#    0 AMB  20-2:2288     0 AMB  20-1:2288   2.80    (#   2288:20  Double Ambig)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1292,1293,1294,   8,   9,  10,1305,1306,
 igr2=1290,   6,
 &end
#
#   50 VAL  HB           38 VAL  MGY         4.50    (#   2290:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2290, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  HB           38 VAL  MGX         4.50    (#   2291:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2291, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   44 ARG  HB-          41 VAL  MGX         3.50    (#   2292:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   31 GLN  HB-          31 GLN  HA          2.80    (#   2294:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#    0 AMB  20-2:2295    41 VAL  MGX         4.50    (#   2295:20  Single Ambig)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 678, 679, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2296    62 LYS  HA          4.50    (#   2296:20  Single Ambig)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 983, 984, 983, 984,
 &end
#
#    0 AMB  20-2:2299     0 AMB  20-1:2299   2.80    (#   2299:20  Double Ambig)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1305,1306,1327,1328,1327,1328,1327,1328,1292,1293,
      1294,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      1330,1331,
 &end
#
#   42 PRO  HG-          42 PRO  HD-         3.50    (#   2301:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#    0 AMB  20-2:2303     0 AMB  20-1:2303   2.80    (#   2303:20  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 281, 282, 281, 282, 281, 282,
 igr2= 278, 279, 278, 279, 278, 279,
 &end
#
#    5 GLN  HB-           6 PRO  HB-         4.50    (#   2305:20  Unique    3.69, 5.02 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  84,  85,
 &end
#
#   42 PRO  HG-          42 PRO  HB-         3.50    (#   2308:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2314     0 AMB  20-1:2314   3.50    (#   2314:20  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 351, 352, 368, 369, 336, 337,
 igr2= 354, 355, 371, 372,
 &end
#
#   33 PRO  HG+          33 PRO  HB+         3.50    (#   2317:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   23 MET  HB+          23 MET  HG-         3.50    (#   2318:20  Unique    2.30, 2.68 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 351, 352,
 igr2= 354, 355,
 &end
#
#    0 AMB  20-2:2321     0 AMB  20-1:2321   2.80    (#   2321:20  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 368, 369, 351, 352,
 igr2= 371, 372, 371, 372,
 &end
#
#    0 AMB  20-2:2325    19 GLU  HB-         3.50    (#   2325:20  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 296, 297, 296, 297,
 igr2= 293, 294,
 &end
#
#   62 LYS  HE-          66 GLN  HG+         3.50    (#   2331:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990,
 igr2=1049,1050,
 &end
#
#    0 AMB  20-2:2335     0 AMB  20-1:2335   2.80    (#   2335:20  Double Ambig)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 678, 679,  84,  85,
 igr2= 675, 676,  81,  82,
 &end
#
#    6 PRO  HB+           6 PRO  HG-         4.50    (#   2337:20  Unique    2.39, 2.64 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  81,  82,
 &end
#
#   63 GLU  HG+          60 ALA  HA          4.50    (#   2339:20  Unique    2.21, 3.71 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:2341    29 PHE  HA          4.50    (#   2341:20  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#   33 PRO  HB+          33 PRO  HG+         3.50    (#   2345:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   33 PRO  HB+          33 PRO  HG-         3.50    (#   2346:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   18 GLU  HA           17 PRO  HA          5.50    (#   2356:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2356, nxpk= 20, iat= 276, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 PRO  HD+           5 GLN  HB+         3.50    (#   2357:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  78,  79,
 igr2=  64,  65,
 &end
#
#   32 PHE  HB+          61 ALA  MB          5.50    (#   2358:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   35 PHE  HN           30 ASN  HA          5.50    (#   2363:20  Unique    4.54, 5.04 A)
 &rst
  ixpk= 2363, nxpk= 20, iat= 539, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2364     0 AMB  20-1:2364   4.50    (#   2364:20  Double Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115, 114, 115,
 igr2=1330,1331,1330,1331,
 &end
#
#   57 GLN  HN           56 LEU  HG          5.50    (#   2365:20  Unique    4.27, 5.18 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 914, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           62 LYS  HA          4.50    (#   2366:20  Unique    3.38, 3.51 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=1023, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            0 AMB  20-1:2368   4.50    (#   2368:20  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1000,1044,
 &end
#
#    0 AMB  20-2:2369    11 LEU  MDY         4.50    (#   2369:20  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 976, 942,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HN           58 SER  HB+         5.50    (#   2370:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   58 SER  HN           58 SER  HB-         5.50    (#   2371:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2371, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   30 ASN  HN           27 MET  HA          4.50    (#   2372:20  Unique    3.28, 3.52 A)
 &rst
  ixpk= 2372, nxpk= 20, iat= 467, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           69 LYS  HD+         5.50    (#   2373:20  Unique    5.47, 6.50 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   17 PRO  HD-          17 PRO  HA          5.50    (#   2374:20  Unique    3.61, 3.86 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   4.50    (#   2375:20  Double Ambig)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#   17 PRO  HD-           0 AMB  20-1:2376   4.50    (#   2376:20  Single Ambig)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#    6 PRO  HG-           5 GLN  HA          4.50    (#   2379:20  Unique    4.55, 4.68 A)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#   51 GLU  HN           51 GLU  HA          5.50    (#   2380:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2383     0 AMB  20-1:2383   4.50    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 217,1015,
 igr2= 229,1025,
 &end
#
#   11 LEU  HN           51 GLU  HA          5.50    (#   2384:20  Unique    3.50, 3.65 A)
 &rst
  ixpk= 2384, nxpk= 20, iat= 155, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2385    62 LYS  HA          4.50    (#   2385:20  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1239,1245,1246,
 &end
#
#   18 GLU  HA           45 HIS  HB-         5.50    (#   2387:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 2387, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:2388    14 THR  HA          5.50    (#   2388:20  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 241,1213,
 &end
#
#   14 THR  HN           14 THR  HA          5.50    (#   2389:20  Unique    2.94, 2.95 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HN           23 MET  HA          3.50    (#   2390:20  Unique    3.53, 3.54 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           23 MET  HA          5.50    (#   2391:20  Unique    4.39, 4.51 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 381, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           25 LEU  HA          4.50    (#   2392:20  Unique    3.57, 3.58 A)
 &rst
  ixpk= 2392, nxpk= 20, iat= 400, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           66 GLN  HA          4.50    (#   2393:20  Unique    3.44, 3.57 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=1066,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HE           26 SER  HA          7.00    (#   2394:20  Unique    5.67, 7.74 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 457, 461,
 &end
#
#   29 PHE  HN           27 MET  HA          5.50    (#   2395:20  Unique    4.72, 4.84 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 447, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           71 THR  HA          4.50    (#   2398:20  Unique    2.90, 2.93 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2400    71 THR  HA          5.50    (#   2400:20  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1145,1146,1145,1146,1148,1149,
 &end
#
#   69 LYS  HG+          71 THR  HA          4.50    (#   2401:20  Unique    5.85, 6.60 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   63 GLU  HB-          63 GLU  HA          2.80    (#   2402:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1002,1003,
 &end
#
#   71 THR  HN           70 ILE  HA          4.50    (#   2403:20  Unique    3.51, 3.53 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1127,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HA          3.50    (#   2404:20  Unique    2.44, 4.38 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1076,1080,
 &end
#
#    0 AMB  20-2:2407    52 PHE  HA          4.50    (#   2407:20  Single Ambig)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 836, 837,
 &end
#
#   50 VAL  HN           49 PHE  HA          2.80    (#   2409:20  Unique    2.28, 2.33 A)
 &rst
  ixpk= 2409, nxpk= 20, iat= 801, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 PHE  HA           49 PHE  HA          4.50    (#   2411:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 2411, nxpk= 20, iat= 176, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HB+          49 PHE  HA          3.50    (#   2412:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:2413    49 PHE  HA          4.50    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 142, 143, 144, 602, 603, 604, 606, 607, 608,
 &end
#
#   13 LEU  MDY          49 PHE  HA          4.50    (#   2414:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          49 PHE  HA          4.50    (#   2415:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   56 LEU  HA           56 LEU  HG          4.50    (#   2416:20  Unique    2.45, 3.22 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  MDY          25 LEU  HA          4.50    (#   2417:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  MG2          47 ILE  HA          3.50    (#   2418:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2419    66 GLN  HA          4.50    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1245,1246,1239,
 &end
#
#    0 AMB  20-2:2420    66 GLN  HA          5.50    (#   2420:20  Single Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#   74 HIS  HB+          74 HIS  HA          4.50    (#   2421:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   15 ASN  HB+          76 MET  HA          4.50    (#   2422:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   67 GLY  HA+          66 GLN  HA          4.50    (#   2423:20  Unique    4.38, 4.43 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
#   60 ALA  HA           63 GLU  HB-         5.50    (#   2424:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#   60 ALA  HA           63 GLU  HB+         5.50    (#   2425:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#    2 GLN  HB+           2 GLN  HA          2.80    (#   2426:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  18,  19,
 &end
#
#    0 AMB  20-2:2427     0 AMB  20-1:2427   3.50    (#   2427:20  Double Ambig)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1260,1261,1262,1220,1221,1220,1221,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#    4 GLU  HA            5 GLN  HG+         5.50    (#   2429:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG+         5.50    (#   2430:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG-         4.50    (#   2431:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   24 MET  HG+          24 MET  HB-         4.50    (#   2432:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   24 MET  HG-          24 MET  HB-         3.50    (#   2433:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   33 PRO  HB-          33 PRO  HA          3.50    (#   2434:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HD+          33 PRO  HB-         4.50    (#   2435:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   37 GLU  HN           37 GLU  HB-         4.50    (#   2436:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2436, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   37 GLU  HN           37 GLU  HB+         5.50    (#   2437:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2437, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 585, 586,
 &end
#
#   59 ASN  HN            0 AMB  20-1:2438   3.50    (#   2438:20  Single Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#    0 AMB  20-2:2440     0 AMB  20-1:2440   5.50    (#   2440:20  Double Ambig)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 895, 951, 952, 493, 494,
 igr2= 916, 413,
 &end
#
#   64 ALA  HN           60 ALA  HA          4.50    (#   2442:20  Unique    3.96, 4.09 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=1013, 958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN            0 AMB  20-1:2443   3.50    (#   2443:20  Single Ambig)
 &rst
  ixpk= 2443, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#   32 PHE  HA           33 PRO  HG+         5.50    (#   2444:20  Unique    4.24, 4.49 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   39 ARG  HA           40 LEU  HG          7.00    (#   2446:20  Unique    3.92, 4.38 A)
 &rst
  ixpk= 2446, nxpk= 20, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 GLN  HG+          82 LYS  HA          4.50    (#   2447:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   80 PHE  HA           80 PHE  HB-         4.50    (#   2448:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#    9 GLN  HN            8 ASN  HB+         5.50    (#   2450:20  Unique    2.70, 3.77 A)
 &rst
  ixpk= 2450, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   31 GLN  HE2-         28 LEU  HA          4.50    (#   2451:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 494,
 &end
#
#    0 AMB  20-2:2452    82 LYS  HA          2.80    (#   2452:20  Single Ambig)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1302,1303,1302,1303,
 &end
#
#   32 PHE  HN           30 ASN  HA          4.50    (#   2453:20  Unique    3.24, 3.36 A)
 &rst
  ixpk= 2453, nxpk= 20, iat= 498, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2454    30 ASN  HA          5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477, 549, 553,
 &end
#
#    0 AMB  20-2:2455     0 AMB  20-1:2455   5.50    (#   2455:20  Double Ambig)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 114, 115, 114, 115,
 igr2=1327,1328,1327,1328,
 &end
#
#    8 ASN  HD2+         82 LYS  HG+         5.50    (#   2456:20  Unique    5.38, 6.86 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2=1305,1306,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2457   5.50    (#   2457:20  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2458    63 GLU  HA          5.50    (#   2458:20  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019, 960, 961, 962,
 &end
#
#   70 ILE  MG2          70 ILE  HG1-        3.50    (#   2459:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#   66 GLN  HB+          66 GLN  HA          4.50    (#   2461:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1046,1047,
 &end
#
#   66 GLN  HA           66 GLN  HG-         4.50    (#   2462:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG-         4.50    (#   2463:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG+         5.50    (#   2464:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG-         3.50    (#   2466:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#    4 GLU  HA            5 GLN  HG-         5.50    (#   2467:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   33 PRO  HB+          33 PRO  HD+         5.50    (#   2468:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   33 PRO  HB+          33 PRO  HD-         5.50    (#   2469:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   24 MET  HB+          24 MET  HG+         3.50    (#   2471:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 368, 369,
 igr2= 371, 372,
 &end
#
#   12 PHE  HE           81 ALA  HA          7.00    (#   2472:20  Unique    6.73, 7.30 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 184, 188,
 &end
#
#    0 AMB  20-2:2473    48 ALA  HA          5.50    (#   2473:20  Single Ambig)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704, 616, 617,
 &end
#
#   77 LYS  HB-          16 LEU  HA          7.00    (#   2474:20  Unique    6.34, 7.22 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1217,1218,
 &end
#
#   35 PHE  HD           50 VAL  MGX         5.50    (#   2475:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HN           11 LEU  HA          5.50    (#   2476:20  Unique    2.98, 2.99 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HA          4.50    (#   2477:20  Unique    2.63, 3.11 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 162, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           12 PHE  HB+         4.50    (#   2479:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 2479, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   51 GLU  HA           10 ILE  HA          3.50    (#   2480:20  Unique    2.25, 2.38 A)
 &rst
  ixpk= 2480, nxpk= 20, iat= 819, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2482    49 PHE  HA          3.50    (#   2482:20  Single Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 781, 194,
 &end
#
#   52 PHE  HN           52 PHE  HA          4.50    (#   2483:20  Unique    2.97, 2.97 A)
 &rst
  ixpk= 2483, nxpk= 20, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2484     0 AMB  20-1:2484   5.50    (#   2484:20  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 801,1288,
 igr2= 159, 160, 159, 160,
 &end
#
#    0 AMB  20-2:2485    11 LEU  HB-         4.50    (#   2485:20  Single Ambig)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801,1288,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB+         5.50    (#   2486:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB+         5.50    (#   2487:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   13 LEU  HN           12 PHE  HB-         4.50    (#   2488:20  Unique    4.08, 4.18 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         62 LYS  HE+         5.50    (#   2489:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   14 THR  HN           13 LEU  HB+         5.50    (#   2490:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2490, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           13 LEU  HB-         5.50    (#   2491:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB+         4.50    (#   2492:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB-         4.50    (#   2493:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2493, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB+         5.50    (#   2494:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB-         5.50    (#   2495:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2495, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           14 THR  HB          5.50    (#   2496:20  Unique    3.69, 3.79 A)
 &rst
  ixpk= 2496, nxpk= 20, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HG+          76 MET  HA          3.50    (#   2497:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1203,1204,
 &end
#
#    0 AMB  20-2:2498    36 LYS  HB-         4.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:2499     0 AMB  20-1:2499   3.50    (#   2499:20  Double Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 483, 430,
 igr2= 488, 489, 488, 489, 488, 489,
 &end
#
#   39 ARG  HN           39 ARG  HB-         4.50    (#   2500:20  Unique    2.72, 3.21 A)
 &rst
  ixpk= 2500, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   49 PHE  HA           49 PHE  HB+         4.50    (#   2501:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#   49 PHE  HA           49 PHE  HB-         4.50    (#   2502:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:2503    50 VAL  HB          4.50    (#   2503:20  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 390, 391, 392, 394, 395, 396, 146, 147, 146, 147,
      
 &end
#
#   11 LEU  HB-          50 VAL  HB          5.50    (#   2504:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   11 LEU  HB+          50 VAL  HB          5.50    (#   2505:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   50 VAL  HB           11 LEU  HB+         5.50    (#   2506:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2506, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  MDX          11 LEU  HB-         3.50    (#   2508:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#   53 THR  HN            0 AMB  20-1:2510   5.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   52 PHE  HN            0 AMB  20-1:2511   5.50    (#   2511:20  Single Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   54 THR  HN            0 AMB  20-1:2512   5.50    (#   2512:20  Single Ambig)
 &rst
  ixpk= 2512, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   65 LEU  MDX          28 LEU  HB-         5.50    (#   2516:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   28 LEU  HB-          28 LEU  HG          3.50    (#   2517:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#    9 GLN  HN            9 GLN  HB+         5.50    (#   2518:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 123, 124,
 &end
#
#    9 GLN  HN            9 GLN  HB-         4.50    (#   2519:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:2520    53 THR  HA          5.50    (#   2520:20  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 836, 837,
 &end
#
#   53 THR  HG1          53 THR  HA          4.50    (#   2521:20  Unique    2.91, 2.98 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 862, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   4.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 935, 936, 935, 936, 121,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   24 MET  HN           20 THR  MG2         4.50    (#   2524:20  Unique    4.62, 5.27 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   74 HIS  HN           74 HIS  HB+         5.50    (#   2525:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#   74 HIS  HN           74 HIS  HB-         5.50    (#   2526:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:2527    78 ILE  MD1         4.50    (#   2527:20  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,1203,1204,
 igr2=1248,1249,1250,
 &end
#
#   44 ARG  HN           44 ARG  HB-         5.50    (#   2529:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HB+         5.50    (#   2530:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2530, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   41 VAL  MGY          44 ARG  HB+         4.50    (#   2531:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2532     0 AMB  20-1:2532   4.50    (#   2532:20  Double Ambig)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667, 563, 564,
 igr2= 703, 704, 821, 822, 821, 822, 585, 586,
 &end
#
#   47 ILE  MD1          44 ARG  HB-         5.50    (#   2533:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   47 ILE  MD1          44 ARG  HB+         5.50    (#   2534:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   62 LYS  HD+          62 LYS  HB-         4.50    (#   2535:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2= 980, 981,
 &end
#
#   74 HIS  HA           75 ALA  MB          5.50    (#   2539:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:2540    22 GLU  HA          2.80    (#   2540:20  Single Ambig)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 336, 337, 600,
 &end
#
#   10 ILE  MG2          10 ILE  HA          4.50    (#   2541:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   18 GLU  HN           17 PRO  HB-         5.50    (#   2542:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 267, 268,
 &end
#
#   40 LEU  MDY          40 LEU  HA          3.50    (#   2543:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2544     0 AMB  20-1:2544   2.80    (#   2544:20  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 415, 416, 415, 416, 415, 416,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#    5 GLN  HE2-         82 LYS  HG+         5.50    (#   2546:20  Unique    2.54, 4.49 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=1305,1306,
 &end
#
#   66 GLN  HG+          62 LYS  HE+         5.50    (#   2547:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#   66 GLN  HG+          62 LYS  HE-         5.50    (#   2548:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:2549     0 AMB  20-1:2549   5.50    (#   2549:20  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,1200,1201,
 &end
#
#    0 AMB  20-2:2550    76 MET  HB-         5.50    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB+         4.50    (#   2551:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB-         4.50    (#   2552:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#    4 GLU  HB-           4 GLU  HG+         3.50    (#   2555:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB+           4 GLU  HG+         2.80    (#   2556:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB-           4 GLU  HG-         4.50    (#   2557:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    0 AMB  20-2:2558     0 AMB  20-1:2558   2.80    (#   2558:20  Double Ambig)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  49,  50, 336, 337,
 igr2=  52,  53, 339, 340, 339, 340,
 &end
#
#   72 PRO  HD+          72 PRO  HA          4.50    (#   2559:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   72 PRO  HD+          71 THR  HB          4.50    (#   2560:20  Unique    2.14, 2.97 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   69 LYS  HG+          71 THR  HB          5.50    (#   2561:20  Unique    7.28, 8.00 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1093,1094,
 &end
#
#   37 GLU  HN           37 GLU  HG+         5.50    (#   2563:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 588, 589,
 &end
#
#   39 ARG  HA           39 ARG  HB+         4.50    (#   2564:20  Unique    2.42, 2.78 A)
 &rst
  ixpk= 2564, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   38 VAL  HN           37 GLU  HG+         4.50    (#   2565:20  Unique    1.76, 2.74 A)
 &rst
  ixpk= 2565, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#    0 AMB  20-2:2566    78 ILE  MD1         3.50    (#   2566:20  Single Ambig)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1027,1028,1027,1028,
 igr2=1248,1249,1250,
 &end
#
#   74 HIS  HB+          70 ILE  MG2         5.50    (#   2567:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   74 HIS  HB-          70 ILE  MG2         5.50    (#   2568:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   24 MET  HG-          70 ILE  MG2         5.50    (#   2569:20  Unique    4.78, 6.41 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 371, 372,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDX          70 ILE  MG2         5.50    (#   2570:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   21 ASN  HN           70 ILE  MG2         5.50    (#   2572:20  Unique    5.53, 6.25 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HN           70 ILE  MG2         5.50    (#   2573:20  Unique    6.43, 6.65 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    3 THR  HB           82 LYS  HG-         4.50    (#   2574:20  Unique    2.83, 4.41 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   41 VAL  HN           40 LEU  HG          5.50    (#   2575:20  Unique    4.80, 4.98 A)
 &rst
  ixpk= 2575, nxpk= 20, iat= 655, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           70 ILE  HG1-        5.50    (#   2576:20  Unique    4.09, 4.59 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#   43 ASN  HN           41 VAL  MGX         5.50    (#   2577:20  Unique    2.67, 5.67 A)
 &rst
  ixpk= 2577, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   53 THR  HN           54 THR  MG2         5.50    (#   2580:20  Unique    5.67, 6.51 A)
 &rst
  ixpk= 2580, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   16 LEU  HN           20 THR  MG2         7.00    (#   2581:20  Unique    6.33, 7.39 A)
 &rst
  ixpk= 2581, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2582    51 GLU  HA          4.50    (#   2582:20  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 821, 822, 821, 822,
 &end
#
#    0 AMB  20-2:2583    51 GLU  HA          4.50    (#   2583:20  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   51 GLU  HG+          51 GLU  HA          5.50    (#   2584:20  Unique    2.48, 2.86 A)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 824, 825,
 &end
#
#    0 AMB  20-2:2585    51 GLU  HA          5.50    (#   2585:20  Single Ambig)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 803, 598,
 &end
#
#   78 ILE  HN           66 GLN  HA          4.50    (#   2586:20  Unique    3.78, 3.88 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=1235,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           50 VAL  MGY         5.50    (#   2589:20  Unique    5.18, 6.78 A)
 &rst
  ixpk= 2589, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   58 SER  HB+          50 VAL  MGY         7.00    (#   2590:20  Unique    5.22, 7.55 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 935, 936,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN           56 LEU  MDX         4.50    (#   2591:20  Unique    4.08, 5.96 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   31 GLN  HE2+         31 GLN  HB+         4.50    (#   2593:20  Unique    2.52, 3.61 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 493, 494,
 igr2= 485, 486,
 &end
#
#   32 PHE  HN           31 GLN  HB+         5.50    (#   2594:20  Unique    3.38, 3.92 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   25 LEU  HN           25 LEU  MDY         4.50    (#   2595:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 2595, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#   2596:20  Unique    2.74, 3.46 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ILE  HN           75 ALA  HA          4.50    (#   2597:20  Unique    3.01, 3.09 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=1108,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ALA  HN           75 ALA  HA          4.50    (#   2598:20  Unique    2.90, 2.92 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 LEU  HG           16 LEU  HB+         5.50    (#   2599:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HG           16 LEU  HB-         5.50    (#   2600:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2600, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HA           16 LEU  HB-         5.50    (#   2601:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB-         5.50    (#   2602:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD-          16 LEU  HB+         5.50    (#   2604:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB+         5.50    (#   2605:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   68 PHE  HD           70 ILE  HB          5.50    (#   2606:20  Unique    4.63, 6.71 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
#   17 PRO  HD-          70 ILE  HB          5.50    (#   2608:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   17 PRO  HD-          16 LEU  MDX         5.50    (#   2609:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2610    16 LEU  MDX         3.50    (#   2610:20  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1203,1204,1203,1204,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   76 MET  ME           16 LEU  MDX         4.50    (#   2611:20  Unique    2.45, 5.45 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2612    11 LEU  MDY         3.50    (#   2612:20  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 980, 981, 162,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   71 THR  HN           70 ILE  MD1         4.50    (#   2613:20  Unique    4.56, 5.38 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   66 GLN  HN           66 GLN  HB-         4.50    (#   2616:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#   66 GLN  HE2-         66 GLN  HB+         4.50    (#   2617:20  Unique    3.30, 4.50 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1046,1047,
 &end
#
#   81 ALA  HN            8 ASN  HB-         4.50    (#   2618:20  Unique    3.20, 4.59 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 109, 110,
 &end
#
#   32 PHE  HE           64 ALA  HA          7.00    (#   2620:20  Unique    5.03, 6.23 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   63 GLU  HA           64 ALA  HA          5.50    (#   2621:20  Unique    4.76, 4.77 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=1000,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 THR  HB           16 LEU  HG          7.00    (#   2623:20  Unique    5.51, 5.54 A)
 &rst
  ixpk= 2623, nxpk= 20, iat= 308, 248, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    9 GLN  HA           10 ILE  MD1         7.00    (#   2624:20  Unique    5.00, 7.16 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 149, 150, 151,
 &end
#
#   21 ASN  HD2-         24 MET  HG+         5.50    (#   2625:20  Unique    2.44, 5.65 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 327, 328,
 igr2= 371, 372,
 &end
#
#   21 ASN  HD2-          0 AMB  20-1:2626   5.50    (#   2626:20  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 327, 328,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  MDX          24 MET  HG+         5.50    (#   2627:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   25 LEU  MDX          24 MET  HG-         4.50    (#   2628:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG+         5.50    (#   2630:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG-         5.50    (#   2632:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG-         5.50    (#   2633:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG+         5.50    (#   2634:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   78 ILE  HG1-         76 MET  HG+         4.50    (#   2635:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#   78 ILE  HG1-         76 MET  HG-         4.50    (#   2636:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2637    76 MET  HG-         5.50    (#   2637:20  Single Ambig)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG-         4.50    (#   2638:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG+         4.50    (#   2639:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2640     0 AMB  20-1:2640   5.50    (#   2640:20  Double Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1215,1237,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:2641    76 MET  HG-         4.50    (#   2641:20  Single Ambig)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1215,1237,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2642     0 AMB  20-1:2642   5.50    (#   2642:20  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,1203,1204,1203,1204,1203,1204,
 &end
#
#   76 MET  HG+          13 LEU  MDY         4.50    (#   2643:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDY          78 ILE  MD1         4.50    (#   2644:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#    0 AMB  20-2:2645     0 AMB  20-1:2645   2.80    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1220,1221,1220,1221,1220,1221,1305,1306,1305,1306,
      1090,1091,
 igr2=1223,1224,1223,1224,1223,1224,1308,1309,1308,1309,
      1096,1097,
 &end
#
#    0 AMB  20-2:2646    49 PHE  HA          5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791, 795, 459,
 &end
#
#   25 LEU  HB+          25 LEU  HG          3.50    (#   2647:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 385, 386,
 &end
#
#   76 MET  ME           16 LEU  HG          7.00    (#   2648:20  Unique    5.41, 6.73 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#   11 LEU  HN           50 VAL  HB          4.50    (#   2650:20  Unique    3.14, 3.37 A)
 &rst
  ixpk= 2650, nxpk= 20, iat= 155, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB+          16 LEU  HG          4.50    (#   2651:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   29 PHE  HE           29 PHE  HB+         5.50    (#   2652:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#   29 PHE  HE           29 PHE  HB-         5.50    (#   2653:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:2654     0 AMB  20-1:2654   2.80    (#   2654:20  Double Ambig)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 278, 279, 278, 279, 278, 279,
 igr2= 281, 282, 281, 282, 281, 282,
 &end
#
#   55 GLU  HA           55 GLU  HG+         3.50    (#   2655:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2655, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  20-2:2656    17 PRO  HB-         3.50    (#   2656:20  Single Ambig)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 264, 265, 264, 265,
 igr2= 267, 268,
 &end
#
#   68 PHE  HE           68 PHE  HA          5.50    (#   2657:20  Unique    4.95, 5.41 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
#   77 LYS  HE+           2 GLN  HG+         4.50    (#   2660:20  Unique    3.73, 5.43 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=  21,  22,
 &end
#
#   25 LEU  HN           25 LEU  HB+         4.50    (#   2661:20  Unique    2.44, 3.07 A)
 &rst
  ixpk= 2661, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    8 ASN  HA           55 GLU  HA          4.50    (#   2662:20  Unique    3.55, 3.71 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 107, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2663     0 AMB  20-1:2663   2.80    (#   2663:20  Double Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  14,  45,
 igr2=  16,  47,
 &end
#
#   29 PHE  HA           29 PHE  HB+         4.50    (#   2664:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2664, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HA           29 PHE  HB-         5.50    (#   2665:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 452,
 &end
#
#   50 VAL  MGY          29 PHE  HB-         4.50    (#   2667:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 451, 452,
 &end
#
#   65 LEU  MDY          68 PHE  HB-         5.50    (#   2668:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:2669     0 AMB  20-1:2669   4.50    (#   2669:20  Double Ambig)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 862, 834,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  HN            0 AMB  20-1:2671   5.50    (#   2671:20  Single Ambig)
 &rst
  ixpk= 2671, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1096,1097,1090,1091,
 &end
#
#   76 MET  HN           69 LYS  HB-         5.50    (#   2672:20  Unique    5.90, 6.13 A)
 &rst
  ixpk= 2672, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE-          69 LYS  HD-         2.80    (#   2674:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#   70 ILE  HN           69 LYS  HG+         4.50    (#   2679:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   70 ILE  HN           69 LYS  HG-         5.50    (#   2680:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1093,1094,
 &end
#
#   66 GLN  HG+          13 LEU  HG          5.50    (#   2684:20  Unique    6.60, 7.99 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1049,1050,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   2685:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   72 PRO  HA           69 LYS  HD-         4.50    (#   2686:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   76 MET  HN           69 LYS  HD+         5.50    (#   2687:20  Unique    4.27, 4.96 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   71 THR  HN           69 LYS  HE-         5.50    (#   2688:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2688, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   71 THR  HN           69 LYS  HE+         5.50    (#   2689:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE-         5.50    (#   2690:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE+         5.50    (#   2691:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    8 ASN  HD2-          8 ASN  HB-         5.50    (#   2692:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#    8 ASN  HN            8 ASN  HB-         5.50    (#   2694:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   74 HIS  HA           69 LYS  HE-         4.50    (#   2695:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   74 HIS  HA           69 LYS  HE+         5.50    (#   2696:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    3 THR  HB            0 AMB  20-1:2697   4.50    (#   2697:20  Single Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1311,1312,1311,1312,
 &end
#
#   55 GLU  HG+           8 ASN  HB-         5.50    (#   2702:20  Unique    4.06, 5.31 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 887, 888,
 igr2= 109, 110,
 &end
#
#   70 ILE  HN           68 PHE  HA          7.00    (#   2704:20  Unique    5.19, 5.33 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1108,1068, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2706    68 PHE  HA          4.50    (#   2706:20  Single Ambig)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1188,
 &end
#
#   65 LEU  HA           68 PHE  HA          5.50    (#   2707:20  Unique    4.34, 4.42 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HZ           68 PHE  HB-         7.00    (#   2708:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 2708, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB-         5.50    (#   2709:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           69 LYS  HA          3.50    (#   2710:20  Unique    2.88, 2.89 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2712    69 LYS  HA          4.50    (#   2712:20  Single Ambig)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1173,1174,
 &end
#
#   70 ILE  HN           69 LYS  HB-         4.50    (#   2713:20  Unique    3.91, 4.25 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE+          69 LYS  HG-         5.50    (#   2715:20  Unique    2.23, 3.25 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2=1093,1094,
 &end
#
#    0 AMB  20-2:2716     0 AMB  20-1:2716   5.50    (#   2716:20  Double Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1148,1149,1145,1146,1145,1146,
 igr2=1093,1094,1093,1094,1093,1094,
 &end
#
#   82 LYS  HG+           8 ASN  HB-         4.50    (#   2717:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1305,1306,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2718     0 AMB  20-1:2718   2.80    (#   2718:20  Double Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1305,1306,1305,1306,
 igr2=1311,1312,1311,1312,
 &end
#
#   75 ALA  HN           69 LYS  HE+         5.50    (#   2719:20  Unique    3.43, 4.86 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   28 LEU  MDY          70 ILE  HA          5.50    (#   2721:20  Unique    3.66, 5.22 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:2722    70 ILE  HA          4.50    (#   2722:20  Single Ambig)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1093,1094,
 &end
#
#    0 AMB  20-2:2723    70 ILE  HA          5.50    (#   2723:20  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 310, 311, 312,1093,1094,
 &end
#
#   25 LEU  HA           70 ILE  HA          7.00    (#   2724:20  Unique    7.47, 7.85 A)
 &rst
  ixpk= 2724, nxpk= 20, iat= 383,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 PRO  HD+          70 ILE  HB          5.50    (#   2726:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   16 LEU  MDX          70 ILE  HB          4.50    (#   2727:20  Unique    5.23, 6.78 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  MDY          70 ILE  HG1-        5.50    (#   2728:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   28 LEU  MDY          70 ILE  HG1+        5.50    (#   2729:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1-        4.50    (#   2730:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1+        4.50    (#   2731:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   70 ILE  HN           70 ILE  HG1-        4.50    (#   2733:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   76 MET  HN           70 ILE  HG1-        5.50    (#   2734:20  Unique    2.94, 3.82 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2735     0 AMB  20-1:2735   5.50    (#   2735:20  Double Ambig)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 467,1066,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   69 LYS  HB+          70 ILE  MG2         5.50    (#   2736:20  Unique    6.84, 7.73 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1090,1091,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2737    70 ILE  MG2         4.50    (#   2737:20  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,1200,1201,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HA           70 ILE  MG2         5.50    (#   2739:20  Unique    6.06, 6.75 A)
 &rst
  ixpk= 2739, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2740    70 ILE  MG2         5.50    (#   2740:20  Single Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 366,
 igr2=1114,1115,1116,
 &end
#
#    4 GLU  HN            3 THR  MG2         5.50    (#   2748:20  Unique    2.02, 4.20 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:2750    71 THR  MG2         5.50    (#   2750:20  Single Ambig)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 267, 268, 293, 294,
 igr2=1133,1134,1135,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   4.50    (#   2751:20  Double Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 904, 905, 906, 908, 909, 910,1121,1122,1123,
 igr2= 872, 873, 874,1133,1134,1135,
 &end
#
#   69 LYS  HE+          72 PRO  HA          5.50    (#   2752:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   74 HIS  HN           72 PRO  HA          4.50    (#   2756:20  Unique    3.56, 4.03 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1169,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2757     0 AMB  20-1:2757   4.50    (#   2757:20  Double Ambig)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704, 703, 704,
 &end
#
#   72 PRO  HD+          72 PRO  HB-         4.50    (#   2761:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1142,1143,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   5.50    (#   2762:20  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1131, 638,1129,
 igr2=1148,1149, 703, 704,
 &end
#
#   57 GLN  HE2-         33 PRO  HB+         5.50    (#   2763:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   44 ARG  HE           44 ARG  HB+         5.50    (#   2764:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   46 ASP  HN           44 ARG  HB+         5.50    (#   2765:20  Unique    2.42, 3.60 A)
 &rst
  ixpk= 2765, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2767     0 AMB  20-1:2767   4.50    (#   2767:20  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1161,1162,1163,1093,1094,
 igr2=1148,1149,1148,1149,
 &end
#
#    8 ASN  HN            7 PRO  HG+         5.50    (#   2769:20  Unique    4.78, 5.24 A)
 &rst
  ixpk= 2769, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:2771    72 PRO  HD-         3.50    (#   2771:20  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HB+          72 PRO  HD+         5.50    (#   2772:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD+         5.50    (#   2774:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD-         5.50    (#   2775:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#    0 AMB  20-2:2779    38 VAL  MGX         4.50    (#   2779:20  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 616, 617, 585, 586,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   17 PRO  HD-          74 HIS  HA          5.50    (#   2784:20  Unique    4.32, 5.45 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HD-          75 ALA  HA          4.50    (#   2788:20  Unique    2.29, 2.96 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2793    75 ALA  MB          5.50    (#   2793:20  Single Ambig)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1226,1227,1217,1218,
 igr2=1190,1191,1192,
 &end
#
#   16 LEU  MDX          76 MET  HA          4.50    (#   2795:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   25 LEU  MDX          25 LEU  HA          4.50    (#   2796:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:2797     0 AMB  20-1:2797   4.50    (#   2797:20  Double Ambig)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 385, 386,1220,1221,
 igr2= 383,1198,
 &end
#
#   15 ASN  HD2-         76 MET  HA          5.50    (#   2798:20  Unique    4.19, 5.06 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2799    76 MET  HA          5.50    (#   2799:20  Single Ambig)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 213,1059,
 &end
#
#   75 ALA  HA           76 MET  HB-         5.50    (#   2800:20  Unique    4.40, 4.52 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HB-         4.50    (#   2802:20  Unique    2.22, 3.58 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:2803    76 MET  HB-         5.50    (#   2803:20  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246, 245, 246,1239,
 igr2=1200,1201,
 &end
#
#   70 ILE  HG1-         76 MET  HB-         5.50    (#   2804:20  Unique    2.24, 3.60 A)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1118,1119,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HG+         4.50    (#   2807:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#   76 MET  ME           76 MET  HG-         4.50    (#   2808:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2810     0 AMB  20-1:2810   4.50    (#   2810:20  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1188,1088,
 igr2=1061,1062,1061,1062,
 &end
#
#   44 ARG  HN           41 VAL  HA          4.50    (#   2811:20  Unique    4.60, 4.95 A)
 &rst
  ixpk= 2811, nxpk= 20, iat= 699, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 GLU  HG-          79 THR  HA          4.50    (#   2812:20  Unique    2.63, 6.59 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    0 AMB  20-2:2813     0 AMB  20-1:2813   4.50    (#   2813:20  Double Ambig)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 675, 676,  49,  50,
 igr2= 657,1256,
 &end
#
#   47 ILE  MD1          41 VAL  HB          3.50    (#   2815:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 765, 766, 767,
 &end
#
#   48 ALA  HN            0 AMB  20-1:2816   5.50    (#   2816:20  Single Ambig)
 &rst
  ixpk= 2816, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2817   5.50    (#   2817:20  Single Ambig)
 &rst
  ixpk= 2817, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HZ            0 AMB  20-1:2818   4.50    (#   2818:20  Single Ambig)
 &rst
  ixpk= 2818, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   48 ALA  HA            0 AMB  20-1:2820   3.50    (#   2820:20  Single Ambig)
 &rst
  ixpk= 2820, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2821     0 AMB  20-1:2821   5.50    (#   2821:20  Double Ambig)
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 785, 786, 785, 786,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MG2          41 VAL  MGX         4.50    (#   2823:20  Unique    5.29, 7.38 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 758, 759, 760,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HB+          41 VAL  MGX         4.50    (#   2824:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2827    41 VAL  MGX         5.50    (#   2827:20  Single Ambig)
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 689, 690, 689, 690,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD-          41 VAL  MGX         5.50    (#   2828:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD+          41 VAL  MGX         5.50    (#   2829:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   49 PHE  HE           41 VAL  MGX         4.50    (#   2830:20  Unique    2.47, 6.40 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2831    41 VAL  MGX         4.50    (#   2831:20  Single Ambig)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HN           41 VAL  MGX         3.50    (#   2832:20  Unique    2.25, 4.03 A)
 &rst
  ixpk= 2832, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          42 PRO  HA          5.50    (#   2833:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   43 ASN  HB+          42 PRO  HA          5.50    (#   2834:20  Unique    4.44, 5.21 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 689, 690,
 &end
#
#   40 LEU  HG           42 PRO  HA          5.50    (#   2835:20  Unique    6.33, 7.05 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 643, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2836    42 PRO  HA          5.50    (#   2836:20  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA           42 PRO  HB+         5.50    (#   2837:20  Unique    4.72, 5.27 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   41 VAL  HA            0 AMB  20-1:2838   5.50    (#   2838:20  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 703, 704, 678, 679,
 &end
#
#   43 ASN  HD2-         42 PRO  HB+         5.50    (#   2839:20  Unique    3.85, 7.99 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 694, 695,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2841     0 AMB  20-1:2841   4.50    (#   2841:20  Double Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676, 675, 676,
 &end
#
#    0 AMB  20-2:2842    42 PRO  HG-         4.50    (#   2842:20  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HD-         4.50    (#   2843:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2843, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   42 PRO  HA           42 PRO  HD+         4.50    (#   2844:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD-         5.50    (#   2845:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD+         5.50    (#   2846:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2846, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD-         5.50    (#   2847:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD+         5.50    (#   2848:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD-         5.50    (#   2849:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD+         5.50    (#   2850:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HN           43 ASN  HA          5.50    (#   2851:20  Unique    4.06, 5.74 A)
 &rst
  ixpk= 2851, nxpk= 20, iat= 723, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASN  HD2-         43 ASN  HA          5.50    (#   2852:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   42 PRO  HA           43 ASN  HA          4.50    (#   2853:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 2853, nxpk= 20, iat= 681, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB+          43 ASN  HA          5.50    (#   2854:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   42 PRO  HB-          43 ASN  HA          5.50    (#   2856:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   43 ASN  HD2+         43 ASN  HB+         4.50    (#   2859:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   44 ARG  HE           44 ARG  HB-         4.50    (#   2860:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   44 ARG  HE           44 ARG  HB+         4.50    (#   2861:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2861, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   42 PRO  HA           42 PRO  HB-         3.50    (#   2862:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 2862, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2863    44 ARG  HB-         4.50    (#   2863:20  Single Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HD+         5.50    (#   2866:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HN           44 ARG  HD-         5.50    (#   2867:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   47 ILE  HN           44 ARG  HD+         5.50    (#   2869:20  Unique    5.29, 6.22 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   19 GLU  HA           18 GLU  HA          5.50    (#   2873:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 2873, nxpk= 20, iat= 291, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HA           18 GLU  HA          5.50    (#   2874:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           46 ASP  HA          5.50    (#   2876:20  Unique    2.82, 2.89 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 740, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HB+          46 ASP  HA          3.50    (#   2879:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   46 ASP  HB-          46 ASP  HA          4.50    (#   2880:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   47 ILE  MG2          46 ASP  HB+         7.00    (#   2881:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 758, 759, 760,
 igr2= 744, 745,
 &end
#
#   47 ILE  HN           46 ASP  HB-         5.50    (#   2882:20  Unique    2.70, 4.17 A)
 &rst
  ixpk= 2882, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   16 LEU  HN           46 ASP  HB-         5.50    (#   2883:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB-         5.50    (#   2884:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB+         5.50    (#   2885:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2885, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   12 PHE  HZ           47 ILE  HA          5.50    (#   2886:20  Unique    5.09, 5.21 A)
 &rst
  ixpk= 2886, nxpk= 20, iat= 186, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HA           47 ILE  HA          7.00    (#   2887:20  Unique    5.32, 5.76 A)
 &rst
  ixpk= 2887, nxpk= 20, iat= 725, 754, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2888    47 ILE  HA          4.50    (#   2888:20  Single Ambig)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 773, 229, 243,
 &end
#
#   49 PHE  HE           47 ILE  HB          5.50    (#   2889:20  Unique    5.10, 6.48 A)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#    0 AMB  20-2:2890     0 AMB  20-1:2890   4.50    (#   2890:20  Double Ambig)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 880, 655,
 igr2= 899, 900, 756,
 &end
#
#    0 AMB  20-2:2891    47 ILE  HG1-        4.50    (#   2891:20  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 703, 704, 756,
 igr2= 762, 763,
 &end
#
#   44 ARG  HB+          47 ILE  HG1-        5.50    (#   2892:20  Unique    2.14, 4.44 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 762, 763,
 &end
#
#   14 THR  MG2          47 ILE  MD1         4.50    (#   2894:20  Unique    4.68, 6.89 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 219, 220, 221,
 igr2= 765, 766, 767,
 &end
#
#   25 LEU  HG            0 AMB  20-1:2895   4.50    (#   2895:20  Single Ambig)
 &rst
  ixpk= 2895, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   48 ALA  HA           47 ILE  MD1         5.50    (#   2897:20  Unique    3.63, 5.29 A)
 &rst
  ixpk= 2897, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:2898    47 ILE  MD1         7.00    (#   2898:20  Single Ambig)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 781, 227,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HE           47 ILE  MD1         4.50    (#   2899:20  Unique    2.50, 4.02 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   41 VAL  HN           47 ILE  MD1         5.50    (#   2900:20  Unique    3.34, 4.90 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   46 ASP  HB-          47 ILE  MG2         5.50    (#   2901:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HB+          47 ILE  MG2         4.50    (#   2902:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2903    47 ILE  MG2         4.50    (#   2903:20  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 229, 773, 243,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HA           47 ILE  MG2         4.50    (#   2904:20  Unique    4.57, 5.43 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   12 PHE  HD           47 ILE  MG2         5.50    (#   2905:20  Unique    6.12, 6.94 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HN           47 ILE  MG2         3.50    (#   2906:20  Unique    2.94, 3.72 A)
 &rst
  ixpk= 2906, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HN           47 ILE  MG2         5.50    (#   2908:20  Unique    4.02, 5.23 A)
 &rst
  ixpk= 2908, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 758, 759, 760,
 &end
#
#   49 PHE  HE           48 ALA  HA          5.50    (#   2909:20  Unique    4.58, 6.28 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   49 PHE  HA           48 ALA  HA          4.50    (#   2910:20  Unique    4.59, 4.61 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 783, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HA            0 AMB  20-1:2911   4.50    (#   2911:20  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2912     0 AMB  20-1:2912   5.50    (#   2912:20  Double Ambig)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1173,1174, 785, 786,
 igr2= 243, 773,
 &end
#
#    0 AMB  20-2:2913    48 ALA  HA          5.50    (#   2913:20  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 600,
 &end
#
#   40 LEU  MDY          20 THR  MG2         2.80    (#   2915:20  Unique    2.99, 5.51 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2916    20 THR  MG2         2.80    (#   2916:20  Single Ambig)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 264, 265, 264, 265, 643,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HG-          20 THR  MG2         4.50    (#   2917:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 371, 372,
 igr2= 310, 311, 312,
 &end
#
#   16 LEU  HA           20 THR  MG2         4.50    (#   2918:20  Unique    4.81, 5.92 A)
 &rst
  ixpk= 2918, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   19 GLU  HN           20 THR  MG2         5.50    (#   2919:20  Unique    6.87, 7.18 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   22 GLU  HN           20 THR  MG2         5.50    (#   2920:20  Unique    4.89, 6.05 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   77 LYS  HN           13 LEU  HA          5.50    (#   2921:20  Unique    4.52, 4.59 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=1213, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           13 LEU  HA          5.50    (#   2922:20  Unique    5.23, 5.31 A)
 &rst
  ixpk= 2922, nxpk= 20, iat= 754, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HB-          13 LEU  HA          4.50    (#   2923:20  Unique    4.95, 5.68 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1217,1218,
 &end
#
#   48 ALA  MB           13 LEU  HA          5.50    (#   2924:20  Unique    5.04, 6.27 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2926     0 AMB  20-1:2926   4.50    (#   2926:20  Double Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 159, 160,
 &end
#
#   48 ALA  MB           13 LEU  HB-         5.50    (#   2927:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#   69 LYS  HN           69 LYS  HD-         3.50    (#   2928:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   49 PHE  HA           13 LEU  HG          7.00    (#   2930:20  Unique    5.95, 6.22 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 783, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11 LEU  HB+          13 LEU  MDX         4.50    (#   2932:20  Unique    2.61, 4.74 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2933    13 LEU  MDX         5.50    (#   2933:20  Single Ambig)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2934     0 AMB  20-1:2934   5.50    (#   2934:20  Double Ambig)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 322, 323, 946, 947, 946, 947,
 igr2= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 &end
#
#   62 LYS  HA           13 LEU  MDX         5.50    (#   2935:20  Unique    5.15, 6.96 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   66 GLN  HA           13 LEU  MDX         5.50    (#   2936:20  Unique    6.69, 7.99 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2937    13 LEU  MDX         4.50    (#   2937:20  Single Ambig)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HA           13 LEU  MDX         5.50    (#   2938:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2938, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDX         4.50    (#   2939:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2939, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           13 LEU  MDX         5.50    (#   2940:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2940, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   21 ASN  HN           40 LEU  MDX         4.50    (#   2941:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2941, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   29 PHE  HD           13 LEU  MDX         5.50    (#   2943:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   79 THR  HN           13 LEU  MDY         5.50    (#   2944:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 2944, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HD           13 LEU  MDY         5.50    (#   2945:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HE           13 LEU  MDY         5.50    (#   2946:20  Unique    2.34, 4.59 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDY         5.50    (#   2949:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2949, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2950    13 LEU  MDY         5.50    (#   2950:20  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2951     0 AMB  20-1:2951   4.50    (#   2951:20  Double Ambig)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 126, 127, 126, 127, 744, 745, 921, 922, 921, 922,
      
 igr2= 868, 215,
 &end
#
#   47 ILE  HA           14 THR  HB          5.50    (#   2953:20  Unique    4.54, 4.78 A)
 &rst
  ixpk= 2953, nxpk= 20, iat= 754, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           14 THR  HB          7.00    (#   2954:20  Unique    6.69, 7.12 A)
 &rst
  ixpk= 2954, nxpk= 20, iat= 742, 217, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 ASN  HB-          14 THR  HB          5.50    (#   2956:20  Unique    3.54, 4.13 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  20-2:2957    14 THR  HB          5.50    (#   2957:20  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1226,1227,1223,1224,1223,1224,
 &end
#
#    0 AMB  20-2:2958    14 THR  HB          4.50    (#   2958:20  Single Ambig)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1220,1221,1220,1221,
 &end
#
#    2 GLN  HB-          14 THR  MG2         4.50    (#   2959:20  Unique    2.66, 6.78 A)
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  18,  19,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HB+          14 THR  MG2         5.50    (#   2960:20  Unique    5.82, 6.52 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HD2+         15 ASN  HA          4.50    (#   2964:20  Unique    4.27, 4.44 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2965    15 ASN  HA          5.50    (#   2965:20  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 744, 745,1173,1174,
 &end
#
#   14 THR  MG2          15 ASN  HA          5.50    (#   2966:20  Unique    5.96, 6.58 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2967     0 AMB  20-1:2967   5.50    (#   2967:20  Double Ambig)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:2968    15 ASN  HB-         5.50    (#   2968:20  Single Ambig)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232,
 &end
#
#   77 LYS  HE+          15 ASN  HB+         5.50    (#   2969:20  Unique    2.53, 4.40 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2970     0 AMB  20-1:2970   5.50    (#   2970:20  Double Ambig)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232, 231, 232,
 &end
#
#   77 LYS  HB+          15 ASN  HB-         5.50    (#   2971:20  Unique    2.53, 3.48 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1217,1218,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB+         5.50    (#   2974:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2974, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB-         5.50    (#   2975:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   39 ARG  HN           48 ALA  HA          5.50    (#   2976:20  Unique    4.75, 5.01 A)
 &rst
  ixpk= 2976, nxpk= 20, iat= 612, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2977     0 AMB  20-1:2977   5.50    (#   2977:20  Double Ambig)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 659,1207,1208,1209, 600,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2978     0 AMB  20-1:2978   4.50    (#   2978:20  Double Ambig)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 199, 198, 199, 201,
 igr2= 773, 243,
 &end
#
#   70 ILE  MD1          16 LEU  HA          3.50    (#   2979:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  HB+          16 LEU  HA          4.50    (#   2980:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#    0 AMB  20-2:2982    17 PRO  HA          5.50    (#   2982:20  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174, 744, 745,
 &end
#
#    0 AMB  20-2:2983    17 PRO  HA          5.50    (#   2983:20  Single Ambig)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 243, 229,
 &end
#
#   46 ASP  HA           17 PRO  HA          5.50    (#   2984:20  Unique    4.34, 4.67 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 742, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2987:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2988:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLU  HN           17 PRO  HA          4.50    (#   2989:20  Unique    3.85, 3.96 A)
 &rst
  ixpk= 2989, nxpk= 20, iat= 289, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2993    17 PRO  HB-         4.50    (#   2993:20  Single Ambig)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268,
 &end
#
#    0 AMB  20-2:2994     0 AMB  20-1:2994   3.50    (#   2994:20  Double Ambig)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268, 267, 268, 267, 268,
 &end
#
#    0 AMB  20-2:2998     0 AMB  20-1:2998   5.50    (#   2998:20  Double Ambig)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.04, r4=12.54,
 igr1= 281, 282, 281, 282, 281, 282, 368, 369,1207,1208,
      1209,
 igr2= 264, 265, 264, 265, 264, 265, 264, 265, 264, 265,
      
 &end
#
#   32 PHE  HE           62 LYS  HA          7.00    (#   3001:20  Unique    6.45, 7.22 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   59 ASN  HA           62 LYS  HA          5.50    (#   3002:20  Unique    5.18, 5.34 A)
 &rst
  ixpk= 3002, nxpk= 20, iat= 944, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HB-           0 AMB  20-1:3005   4.50    (#   3005:20  Single Ambig)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 727, 728,
 igr2= 278, 279, 278, 279,
 &end
#
#   32 PHE  HZ           31 GLN  HB+         5.50    (#   3007:20  Unique    3.44, 4.29 A)
 &rst
  ixpk= 3007, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   55 GLU  HN           55 GLU  HG+         4.50    (#   3008:20  Unique    1.90, 2.85 A)
 &rst
  ixpk= 3008, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   18 GLU  HN            0 AMB  20-1:3009   2.80    (#   3009:20  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 281, 282, 281, 282,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3010   4.50    (#   3010:20  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:3011     0 AMB  20-1:3011   2.80    (#   3011:20  Double Ambig)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 126, 127, 126, 127,
 igr2= 887, 888, 887, 888,
 &end
#
#   62 LYS  HD-          63 GLU  HG-         4.50    (#   3012:20  Unique    2.60, 5.46 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2=1005,1006,
 &end
#
#   18 GLU  HA           19 GLU  HA          4.50    (#   3013:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 THR  MG2          19 GLU  HB+         7.00    (#   3016:20  Unique    6.21, 7.49 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 310, 311, 312,
 igr2= 293, 294,
 &end
#
#   43 ASN  HB+          42 PRO  HG-         5.50    (#   3018:20  Unique    3.90, 5.69 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 689, 690,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG-         4.50    (#   3020:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           7 PRO  HG+         7.00    (#   3021:20  Unique    7.24, 7.97 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  78,  79,
 igr2=  95,  96,
 &end
#
#   71 THR  HB           19 GLU  HB+         7.00    (#   3022:20  Unique    5.93, 7.28 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 293, 294,
 &end
#
#   34 GLY  HA-          33 PRO  HG-         4.50    (#   3023:20  Unique    4.29, 5.88 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 522, 523,
 &end
#
#   20 THR  HN            0 AMB  20-1:3027   4.50    (#   3027:20  Single Ambig)
 &rst
  ixpk= 3027, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3029   4.50    (#   3029:20  Single Ambig)
 &rst
  ixpk= 3029, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:3031    20 THR  HA          5.50    (#   3031:20  Single Ambig)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 250, 251, 252, 254,
       255, 256,
 &end
#
#   24 MET  HB+          20 THR  HA          5.50    (#   3032:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
#   24 MET  HG-          20 THR  HA          5.50    (#   3033:20  Unique    2.63, 3.87 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   21 ASN  HN           20 THR  HB          4.50    (#   3035:20  Unique    3.60, 3.61 A)
 &rst
  ixpk= 3035, nxpk= 20, iat= 318, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3036    20 THR  HB          5.50    (#   3036:20  Single Ambig)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 390, 391, 392, 394,
       395, 396,
 &end
#
#   36 LYS  HN           30 ASN  HA          5.50    (#   3038:20  Unique         6.42, 7.04 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 559, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HD           30 ASN  HA          5.50    (#   3039:20  Unique         5.12, 6.47 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 506, 514,
 &end
#
#   35 PHE  HZ           30 ASN  HA          5.50    (#   3040:20  Unique         5.28, 5.42 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 551, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3043    30 ASN  HA          5.50    (#   3043:20  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 488, 489, 488, 489,
 &end
#
#   28 LEU  HB+          30 ASN  HA          7.00    (#   3045:20  Unique         7.49, 7.70 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 432, 433,
 &end
#
#    0 AMB  20-2:3046     0 AMB  20-1:3046   5.50    (#   3046:20  Double Ambig)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:3047    30 ASN  HB-         4.50    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB-         5.50    (#   3050:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB+         5.50    (#   3051:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   31 GLN  HN           30 ASN  HB-         5.50    (#   3054:20  Unique         3.12, 3.87 A)
 &rst
  ixpk= 3054, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:3056    28 LEU  HA          5.50    (#   3056:20  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419, 418, 419,
 &end
#
#   28 LEU  HG           28 LEU  HA          3.50    (#   3057:20  Unique         2.88, 2.93 A)
 &rst
  ixpk= 3057, nxpk= 20, iat= 435, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HG-          35 PHE  HA          5.50    (#   3060:20  Unique         3.58, 4.78 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 566, 567,
 &end
#
#   57 GLN  HB-          35 PHE  HA          5.50    (#   3061:20  Unique         4.18, 5.34 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   36 LYS  HN            0 AMB  20-1:3066   5.50    (#   3066:20  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end
#
#   36 LYS  HN           35 PHE  HB-         5.50    (#   3067:20  Unique         3.88, 4.17 A)
 &rst
  ixpk= 3067, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   35 PHE  HE           35 PHE  HB+         4.50    (#   3068:20  Unique         4.60, 5.08 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 543, 544,
 &end
#
#   31 GLN  HN            0 AMB  20-1:3069   5.50    (#   3069:20  Single Ambig)
 &rst
  ixpk= 3069, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 502, 503, 543, 544,
 &end
#
#    0 AMB  20-2:3070    35 PHE  HB-         5.50    (#   3070:20  Single Ambig)
 &rst
  ixpk= 3070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 581, 476, 477,
 igr2= 543, 544,
 &end
#
#   29 PHE  HA            0 AMB  20-1:3071   5.50    (#   3071:20  Single Ambig)
 &rst
  ixpk= 3071, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end
# 1341 atoms read from pdb file prm1.pdb.
# 9 GLN PHI:  (8 ASN C)-(9 GLN N)-(9 GLN CA)-(9 GLN C) -103.1 -43.1
 &rst     iat =   116,   118,   120,   133,
   r1 = -104.1, r2 = -103.1, r3 = -43.1, r4 = -42.1,
   rk2 =  50.0, rk3 =  50.0,    &end

# 10 ILE PHI:  (9 GLN C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -141.6 -81.6
 &rst     iat =   133,   135,   137,   152,
   r1 = -142.6, r2 = -141.6, r3 = -81.6, r4 = -80.6,
 &end

# 10 ILE PSI:  (10 ILE N)-(10 ILE CA)-(10 ILE C)-(11 LEU N) 107.5 167.5
 &rst     iat =   135,   137,   152,   154,
   r1 = 106.5, r2 = 107.5, r3 = 167.5, r4 = 168.5,
 &end

# 11 LEU PHI:  (10 ILE C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -148.3 -88.3
 &rst     iat =   152,   154,   156,   171,
   r1 = -149.3, r2 = -148.3, r3 = -88.3, r4 = -87.3,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 PHE N) 106.5 166.5
 &rst     iat =   154,   156,   171,   173,
   r1 = 105.5, r2 = 106.5, r3 = 166.5, r4 = 167.5,
 &end

# 12 PHE PHI:  (11 LEU C)-(12 PHE N)-(12 PHE CA)-(12 PHE C) -146.9 -87.0
 &rst     iat =   171,   173,   175,   191,
   r1 = -147.9, r2 = -146.9, r3 = -87.0, r4 = -86.0,
 &end

# 12 PHE PSI:  (12 PHE N)-(12 PHE CA)-(12 PHE C)-(13 LEU N) 100.8 160.8
 &rst     iat =   173,   175,   191,   193,
   r1 =  99.8, r2 = 100.8, r3 = 160.8, r4 = 161.8,
 &end

# 13 LEU PHI:  (12 PHE C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -131.5 -71.5
 &rst     iat =   191,   193,   195,   210,
   r1 = -132.5, r2 = -131.5, r3 = -71.5, r4 = -70.5,
 &end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 THR N) 106.1 166.1
 &rst     iat =   193,   195,   210,   212,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 22 GLU PHI:  (21 ASN C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -93.4 -33.4
 &rst     iat =   329,   331,   333,   344,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 MET N) -66.4  -6.4
 &rst     iat =   331,   333,   344,   346,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end

# 23 MET PHI:  (22 GLU C)-(23 MET N)-(23 MET CA)-(23 MET C) -93.8 -33.9
 &rst     iat =   344,   346,   348,   361,
   r1 = -94.8, r2 = -93.8, r3 = -33.9, r4 = -32.9,
 &end

# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 MET N) -71.7 -11.7
 &rst     iat =   346,   348,   361,   363,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 24 MET PHI:  (23 MET C)-(24 MET N)-(24 MET CA)-(24 MET C) -96.2 -36.2
 &rst     iat =   361,   363,   365,   378,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 24 MET PSI:  (24 MET N)-(24 MET CA)-(24 MET C)-(25 LEU N) -67.5  -7.5
 &rst     iat =   363,   365,   378,   380,
   r1 = -68.5, r2 = -67.5, r3 =  -7.5, r4 =  -6.5,
 &end

# 25 LEU PHI:  (24 MET C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -94.2 -34.2
 &rst     iat =   378,   380,   382,   397,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 SER N) -71.5 -11.5
 &rst     iat =   380,   382,   397,   399,
   r1 = -72.5, r2 = -71.5, r3 = -11.5, r4 = -10.5,
 &end

# 26 SER PHI:  (25 LEU C)-(26 SER N)-(26 SER CA)-(26 SER C) -94.5 -34.5
 &rst     iat =   397,   399,   401,   408,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 26 SER PSI:  (26 SER N)-(26 SER CA)-(26 SER C)-(27 MET N) -72.4 -12.4
 &rst     iat =   399,   401,   408,   410,
   r1 = -73.4, r2 = -72.4, r3 = -12.4, r4 = -11.4,
 &end

# 27 MET PHI:  (26 SER C)-(27 MET N)-(27 MET CA)-(27 MET C) -95.6 -35.6
 &rst     iat =   408,   410,   412,   425,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 27 MET PSI:  (27 MET N)-(27 MET CA)-(27 MET C)-(28 LEU N) -66.8  -6.8
 &rst     iat =   410,   412,   425,   427,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 28 LEU PHI:  (27 MET C)-(28 LEU N)-(28 LEU CA)-(28 LEU C) -95.6 -35.6
 &rst     iat =   425,   427,   429,   444,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 28 LEU PSI:  (28 LEU N)-(28 LEU CA)-(28 LEU C)-(29 PHE N) -64.4  -4.4
 &rst     iat =   427,   429,   444,   446,
   r1 = -65.4, r2 = -64.4, r3 =  -4.4, r4 =  -3.4,
 &end

# 29 PHE PHI:  (28 LEU C)-(29 PHE N)-(29 PHE CA)-(29 PHE C) -95.2 -35.2
 &rst     iat =   444,   446,   448,   464,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 29 PHE PSI:  (29 PHE N)-(29 PHE CA)-(29 PHE C)-(30 ASN N) -64.8  -4.8
 &rst     iat =   446,   448,   464,   466,
   r1 = -65.8, r2 = -64.8, r3 =  -4.8, r4 =  -3.8,
 &end

# 30 ASN PHI:  (29 PHE C)-(30 ASN N)-(30 ASN CA)-(30 ASN C) -97.2 -37.2
 &rst     iat =   464,   466,   468,   478,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end

# 30 ASN PSI:  (30 ASN N)-(30 ASN CA)-(30 ASN C)-(31 GLN N) -62.3  -2.3
 &rst     iat =   466,   468,   478,   480,
   r1 = -63.3, r2 = -62.3, r3 =  -2.3, r4 =  -1.3,
 &end

# 38 VAL PHI:  (37 GLU C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -151.7 -91.7
 &rst     iat =   593,   595,   597,   609,
   r1 = -152.7, r2 = -151.7, r3 = -91.7, r4 = -90.7,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 ARG N) 105.9 165.9
 &rst     iat =   595,   597,   609,   611,
   r1 = 104.9, r2 = 105.9, r3 = 165.9, r4 = 166.9,
 &end

# 39 ARG PHI:  (38 VAL C)-(39 ARG N)-(39 ARG CA)-(39 ARG C) -150.5 -90.5
 &rst     iat =   609,   611,   613,   633,
   r1 = -151.5, r2 = -150.5, r3 = -90.5, r4 = -89.5,
 &end

# 49 PHE PHI:  (48 ALA C)-(49 PHE N)-(49 PHE CA)-(49 PHE C) -150.8 -90.8
 &rst     iat =   778,   780,   782,   798,
   r1 = -151.8, r2 = -150.8, r3 = -90.8, r4 = -89.8,
 &end

# 49 PHE PSI:  (49 PHE N)-(49 PHE CA)-(49 PHE C)-(50 VAL N) 115.3 175.3
 &rst     iat =   780,   782,   798,   800,
   r1 = 114.3, r2 = 115.3, r3 = 175.3, r4 = 176.3,
 &end

# 51 GLU PHI:  (50 VAL C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -142.1 -82.1
 &rst     iat =   814,   816,   818,   829,
   r1 = -143.1, r2 = -142.1, r3 = -82.1, r4 = -81.1,
 &end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 PHE N)  96.8 156.8
 &rst     iat =   816,   818,   829,   831,
   r1 =  95.8, r2 =  96.8, r3 = 156.8, r4 = 157.8,
 &end

# 52 PHE PHI:  (51 GLU C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -128.1 -68.1
 &rst     iat =   829,   831,   833,   849,
   r1 = -129.1, r2 = -128.1, r3 = -68.1, r4 = -67.1,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 THR N) 114.6 174.6
 &rst     iat =   831,   833,   849,   851,
   r1 = 113.6, r2 = 114.6, r3 = 174.6, r4 = 175.6,
 &end

# 57 GLN PHI:  (56 LEU C)-(57 GLN N)-(57 GLN CA)-(57 GLN C) -94.8 -34.8
 &rst     iat =   911,   913,   915,   928,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end

# 57 GLN PSI:  (57 GLN N)-(57 GLN CA)-(57 GLN C)-(58 SER N) -71.9 -11.9
 &rst     iat =   913,   915,   928,   930,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 58 SER PHI:  (57 GLN C)-(58 SER N)-(58 SER CA)-(58 SER C) -94.9 -34.9
 &rst     iat =   928,   930,   932,   939,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 58 SER PSI:  (58 SER N)-(58 SER CA)-(58 SER C)-(59 ASN N) -70.2 -10.2
 &rst     iat =   930,   932,   939,   941,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 59 ASN PHI:  (58 SER C)-(59 ASN N)-(59 ASN CA)-(59 ASN C) -99.8 -39.8
 &rst     iat =   939,   941,   943,   953,
   r1 = -100.8, r2 = -99.8, r3 = -39.8, r4 = -38.8,
 &end

# 59 ASN PSI:  (59 ASN N)-(59 ASN CA)-(59 ASN C)-(60 ALA N) -66.9  -6.9
 &rst     iat =   941,   943,   953,   955,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 60 ALA PHI:  (59 ASN C)-(60 ALA N)-(60 ALA CA)-(60 ALA C) -97.3 -37.3
 &rst     iat =   953,   955,   957,   963,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end

# 60 ALA PSI:  (60 ALA N)-(60 ALA CA)-(60 ALA C)-(61 ALA N) -66.6  -6.6
 &rst     iat =   955,   957,   963,   965,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end

# 61 ALA PHI:  (60 ALA C)-(61 ALA N)-(61 ALA CA)-(61 ALA C) -98.2 -38.2
 &rst     iat =   963,   965,   967,   973,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end

# 61 ALA PSI:  (61 ALA N)-(61 ALA CA)-(61 ALA C)-(62 LYS N) -66.6  -6.6
 &rst     iat =   965,   967,   973,   975,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end

# 62 LYS PHI:  (61 ALA C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -96.6 -36.6
 &rst     iat =   973,   975,   977,   995,
   r1 = -97.6, r2 = -96.6, r3 = -36.6, r4 = -35.6,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLU N) -67.2  -7.2
 &rst     iat =   975,   977,   995,   997,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 63 GLU PHI:  (62 LYS C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -90.9 -30.9
 &rst     iat =   995,   997,   999,  1010,
   r1 = -91.9, r2 = -90.9, r3 = -30.9, r4 = -29.9,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 ALA N) -66.9  -6.9
 &rst     iat =   997,   999,  1010,  1012,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 69 LYS PSI:  (69 LYS N)-(69 LYS CA)-(69 LYS C)-(70 ILE N)  72.0 132.0
 &rst     iat =  1085,  1087,  1105,  1107,
   r1 =  71.0, r2 =  72.0, r3 = 132.0, r4 = 133.0,
 &end

# 69 LYS PHI:  (68 PHE C)-(69 LYS N)-(69 LYS CA)-(69 LYS C) -125.0 -65.0
 &rst     iat =  1083,  1085,  1087,  1105,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end

# 75 ALA PHI:  (74 HIS C)-(75 ALA N)-(75 ALA CA)-(75 ALA C) -131.0 -71.0
 &rst     iat =  1183,  1185,  1187,  1193,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end

# 75 ALA PSI:  (75 ALA N)-(75 ALA CA)-(75 ALA C)-(76 MET N)  86.0 146.0
 &rst     iat =  1185,  1187,  1193,  1195,
   r1 =  85.0, r2 =  86.0, r3 = 146.0, r4 = 147.0,
 &end

# 77 LYS PHI:  (76 MET C)-(77 LYS N)-(77 LYS CA)-(77 LYS C) -127.4 -67.4
 &rst     iat =  1210,  1212,  1214,  1232,
   r1 = -128.4, r2 = -127.4, r3 = -67.4, r4 = -66.4,
 &end

# 77 LYS PSI:  (77 LYS N)-(77 LYS CA)-(77 LYS C)-(78 ILE N) 105.2 165.2
 &rst     iat =  1212,  1214,  1232,  1234,
   r1 = 104.2, r2 = 105.2, r3 = 165.2, r4 = 166.2,
 &end

# 78 ILE PHI:  (77 LYS C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -135.9 -75.9
 &rst     iat =  1232,  1234,  1236,  1251,
   r1 = -136.9, r2 = -135.9, r3 = -75.9, r4 = -74.9,
 &end

# 78 ILE PSI:  (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 THR N) 105.3 165.3
 &rst     iat =  1234,  1236,  1251,  1253,
   r1 = 104.3, r2 = 105.3, r3 = 165.3, r4 = 166.3,
 &end

# 80 PHE PHI:  (79 THR C)-(80 PHE N)-(80 PHE CA)-(80 PHE C) -120.7 -60.7
 &rst     iat =  1265,  1267,  1269,  1285,
   r1 = -121.7, r2 = -120.7, r3 = -60.7, r4 = -59.7,
 &end

# 80 PHE PSI:  (80 PHE N)-(80 PHE CA)-(80 PHE C)-(81 ALA N) 102.2 162.2
 &rst     iat =  1267,  1269,  1285,  1287,
   r1 = 101.2, r2 = 102.2, r3 = 162.2, r4 = 163.2,
 &end

# 81 ALA PHI:  (80 PHE C)-(81 ALA N)-(81 ALA CA)-(81 ALA C) -114.8 -54.8
 &rst     iat =  1285,  1287,  1289,  1295,
   r1 = -115.8, r2 = -114.8, r3 = -54.8, r4 = -53.8,
 &end

#
#  62 LYS+ O      66 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1042, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  62 LYS+ O      66 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61 ALA  O      65 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1023, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  61 ALA  O      65 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 LEU- O      60 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 956, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 LEU- O      60 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 THR  O      77 LYS+ HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1213, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  14 THR  O      77 LYS+ N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77 LYS+ O      14 THR  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1233, 213, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  77 LYS+ O      14 THR  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1233, 212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 PHE  O      79 THR  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192,1254, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12 PHE  O      79 THR  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192,1253, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  79 THR  O      12 PHE  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1266, 174, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  79 THR  O      12 PHE  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1266, 173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  10 ILE  O      81 ALA  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1288, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10 ILE  O      81 ALA  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 GLU- O      26 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 GLU- O      26 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 MET  O      27 LEU  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 411, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 MET  O      27 LEU  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 410, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 MET  O      28 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 428, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 MET  O      28 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 LEU  O      29 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 447, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 LEU  O      29 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 SER  O      30 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 SER  O      30 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57 GLN  O      61 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 966, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  57 GLN  O      61 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58 SER  O      62 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 976, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  58 SER  O      62 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 ASN  O      63 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 998, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  59 ASN  O      63 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 997, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60 ALA  O      64 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1013, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  60 ALA  O      64 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1012, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LEU  HN     48 ALA  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 779, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LEU  N      48 ALA  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 779, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LEU  O      48 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 771, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LEU  O      48 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  HN     50 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 815, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  N      50 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 815, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  O      50 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 801, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  O      50 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 800, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 ARG+ HN     49 PHE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 799, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 ARG+ N      49 PHE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 799, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 ARG+ O      49 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 781, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 ARG+ O      49 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 780, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 GLU- O      51 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 817, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 GLU- O      51 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  51 GLU- O      37 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 581, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  51 GLU- O      37 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   9 GLN  O       52 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 832, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9 GLN  O       52 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 MET  HB+          76 MET  HN          3.50    (#      0:10  Unique    2.27, 2.43 A)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:1       76 MET  HN          4.50    (#      1:10  Single Ambig)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1096,1097,1093,1094,1090,1091,
 &end
#
#   76 MET  HG-          76 MET  HN          4.50    (#      2:10  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HN          3.50    (#      3:10  Unique    2.27, 2.43 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1200,1201,
 &end
#
#   70 ILE  HG1-         76 MET  HN          5.50    (#      4:10  Unique    2.94, 3.82 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1118,1119,
 &end
#
#    0 AMB  10-2:5       76 MET  HN          4.50    (#      5:10  Single Ambig)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1118,1119,1220,1221,
 &end
#
#   75 ALA  MB           76 MET  HN          3.50    (#      6:10  Unique    3.38, 4.01 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1190,1191,1192,
 &end
#
#    8 ASN  HB-           9 GLN  HN          4.50    (#      9:10  Unique    2.70, 3.77 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#    0 AMB  10-2:10       9 GLN  HN          3.50    (#     10:10  Single Ambig)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 GLN  HB-           9 GLN  HN          3.50    (#     11:10  Unique    2.48, 3.07 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    8 ASN  HB+           9 GLN  HN          4.50    (#     12:10  Unique    2.70, 3.77 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#    9 GLN  HB+           9 GLN  HN          3.50    (#     13:10  Unique    2.48, 3.07 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  10-2:14       9 GLN  HN          3.50    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 884, 885, 884, 885, 140,
 &end
#
#    0 AMB  10-2:15       9 GLN  HN          4.50    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1330,1331,1330,1331,
 &end
#
#    0 AMB  10-2:16       9 GLN  HN          4.50    (#     16:10  Single Ambig)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   81 ALA  MB           11 LEU  HN          5.50    (#     18:10  Unique    3.51, 4.62 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#   11 LEU  HB-          11 LEU  HN          4.50    (#     19:10  Unique    2.35, 3.10 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   50 VAL  MGY          11 LEU  HN          5.50    (#     20:10  Unique    4.38, 5.47 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          39 ARG  HN          4.50    (#     21:10  Unique    4.00, 5.58 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   39 ARG  HB-          39 ARG  HN          3.50    (#     22:10  Unique    2.72, 3.21 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   39 ARG  HG+          39 ARG  HN          4.50    (#     23:10  Unique    2.92, 4.15 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   39 ARG  HG-          39 ARG  HN          4.50    (#     24:10  Unique    2.92, 4.15 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   38 VAL  MGX          39 ARG  HN          3.50    (#     25:10  Unique    2.26, 4.10 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGY          39 ARG  HN          3.50    (#     26:10  Unique    2.26, 4.10 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          39 ARG  HN          4.50    (#     27:10  Unique    3.88, 6.53 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   49 PHE  HB+          39 ARG  HN          5.50    (#     28:10  Unique    3.41, 4.10 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 785, 786,
 &end
#
#   49 PHE  HB-          39 ARG  HN          4.50    (#     29:10  Unique    3.41, 4.10 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#   50 VAL  MGY          39 ARG  HN          5.50    (#     30:10  Unique    4.00, 5.58 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   77 LYS  HB+          78 ILE  HN          4.50    (#     31:10  Unique    2.83, 3.93 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1217,1218,
 &end
#
#    0 AMB  10-2:32      78 ILE  HN          3.50    (#     32:10  Single Ambig)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1220,1221,1220,1221,
 &end
#
#   78 ILE  MD1          78 ILE  HN          4.50    (#     33:10  Unique    4.38, 5.03 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1248,1249,1250,
 &end
#
#   76 MET  HG+          78 ILE  HN          4.50    (#     34:10  Unique    4.53, 5.37 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#    0 AMB  10-2:35      78 ILE  HN          2.80    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1239,1245,1246,
 &end
#
#   78 ILE  HG1+         78 ILE  HN          3.50    (#     36:10  Unique    2.78, 3.42 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1245,1246,
 &end
#
#    0 AMB  10-2:37      78 ILE  HN          4.50    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#   38 VAL  HB           39 ARG  HN          4.50    (#     38:10  Unique    2.52, 3.65 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  MDY          41 VAL  HN          3.50    (#     39:10  Unique    3.60, 4.93 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   41 VAL  HB           41 VAL  HN          3.50    (#     40:10  Unique    2.38, 2.54 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 659, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HB+          41 VAL  HN          3.50    (#     41:10  Unique    2.08, 3.03 A)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#   40 LEU  HB-          41 VAL  HN          3.50    (#     42:10  Unique    2.08, 3.03 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#    0 AMB  10-2:43      41 VAL  HN          2.80    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   40 LEU  MDX          41 VAL  HN          3.50    (#     44:10  Unique    3.60, 4.93 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   12 PHE  HB+          12 PHE  HN          3.50    (#     46:10  Unique    2.40, 2.80 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB-          12 PHE  HN          4.50    (#     47:10  Unique    2.40, 2.80 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   11 LEU  HB+          12 PHE  HN          4.50    (#     48:10  Unique    2.39, 3.36 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   81 ALA  MB           12 PHE  HN          3.50    (#     49:10  Unique    3.04, 4.44 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1292,1293,1294,
 &end
#
#   11 LEU  HB-          12 PHE  HN          4.50    (#     50:10  Unique    2.39, 3.36 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   11 LEU  MDX          12 PHE  HN          4.50    (#     51:10  Unique    3.25, 5.13 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:52      12 PHE  HN          4.50    (#     52:10  Single Ambig)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 164, 165, 166, 168, 169, 170,1241,1242,1243,
 &end
#
#    0 AMB  10-2:53      55 GLU  HN          4.50    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 126, 127, 126, 127, 921, 922, 921, 922,
 &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#     54:10  Unique    1.90, 2.85 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:55      55 GLU  HN          3.50    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 884, 885, 884, 885,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#     56:10  Unique    4.74, 5.54 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          55 GLU  HN          4.50    (#     57:10  Unique    3.23, 4.08 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#    0 AMB  10-2:58      79 THR  HN          4.50    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 159, 160,1260,1261,1262,1220,1221,1220,1221,
 &end
#
#   78 ILE  HG1+         79 THR  HN          4.50    (#     59:10  Unique    4.33, 4.80 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1245,1246,
 &end
#
#    0 AMB  10-2:60      79 THR  HN          3.50    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 203, 204, 205, 207, 208, 209, 986, 987,
 &end
#
#    0 AMB  10-2:61      79 THR  HN          3.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  10-2:62      79 THR  HN          4.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1239,1245,1246,
 &end
#
#   21 ASN  HB+          22 GLU  HN          3.50    (#     63:10  Unique    2.28, 3.70 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#   21 ASN  HB-          22 GLU  HN          3.50    (#     64:10  Unique    2.28, 3.70 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#    0 AMB  10-2:65      22 GLU  HN          3.50    (#     65:10  Single Ambig)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 339, 340, 339, 340,
 &end
#
#   22 GLU  HB+          22 GLU  HN          3.50    (#     66:10  Unique    2.17, 2.41 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#   40 LEU  MDX          22 GLU  HN          3.50    (#     67:10  Unique    2.11, 4.04 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  MDY          22 GLU  HN          5.50    (#     68:10  Unique    2.11, 4.04 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:69      26 SER  HN          5.50    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419, 418, 419,
 &end
#
#   38 VAL  MGY          26 SER  HN          4.50    (#     70:10  Unique    2.86, 4.47 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  MDX          26 SER  HN          4.50    (#     71:10  Unique    5.06, 5.77 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  10-2:72      26 SER  HN          4.50    (#     72:10  Single Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 339, 340, 339, 340, 368, 369, 451, 452,
 &end
#
#    0 AMB  10-2:73      26 SER  HN          4.50    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 600, 351, 352, 336, 337,
 &end
#
#   25 LEU  MDY          26 SER  HN          5.50    (#     74:10  Unique    5.06, 5.77 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          26 SER  HN          4.50    (#     75:10  Unique    2.68, 3.28 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#   38 VAL  MGX          26 SER  HN          3.50    (#     76:10  Unique    2.86, 4.47 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           26 SER  HN          4.50    (#     77:10  Unique    4.32, 4.43 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 HIS  HB-          46 ASP  HN          5.50    (#     78:10  Unique    3.07, 3.96 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  10-2:79      46 ASP  HN          5.50    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728, 709, 710,
 &end
#
#   46 ASP  HB+          46 ASP  HN          3.50    (#     80:10  Unique    2.11, 2.99 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   46 ASP  HB-          46 ASP  HN          3.50    (#     81:10  Unique    2.11, 2.99 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   44 ARG  HB+          46 ASP  HN          4.50    (#     82:10  Unique    2.42, 3.60 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#   44 ARG  HB-          46 ASP  HN          4.50    (#     83:10  Unique    2.42, 3.60 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:84      46 ASP  HN          4.50    (#     84:10  Single Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 762, 763, 758, 759, 760,
 &end
#
#    0 AMB  10-2:85      46 ASP  HN          4.50    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   75 ALA  HA           76 MET  HN          2.80    (#     86:10  Unique    2.15, 2.18 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1188,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 MET  HA           76 MET  HN          4.50    (#     87:10  Unique    2.79, 2.81 A)
 &rst
  ixpk= 87, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASN  HA            9 GLN  HN          2.80    (#     88:10  Unique    2.25, 2.32 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:89       9 GLN  HN          5.50    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 938, 138,
 &end
#
#    9 GLN  HA            9 GLN  HN          3.50    (#     90:10  Unique    2.86, 2.89 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HA           11 LEU  HN          2.80    (#     91:10  Unique    2.17, 2.21 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 138, 155, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:92      39 ARG  HN          2.80    (#     92:10  Single Ambig)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 598, 614,
 &end
#
#    0 AMB  10-2:93      78 ILE  HN          2.80    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1215,1237,
 &end
#
#   66 GLN  HA           78 ILE  HN          5.50    (#     94:10  Unique    3.78, 3.88 A)
 &rst
  ixpk= 94, nxpk= 10, iat=1044,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HA           41 VAL  HN          7.00    (#     95:10  Unique    5.97, 6.51 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 701, 655, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 LEU  HA           41 VAL  HN          2.80    (#     96:10  Unique    2.20, 2.37 A)
 &rst
  ixpk= 96, nxpk= 10, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 VAL  HA           41 VAL  HN          3.50    (#     97:10  Unique    2.90, 2.95 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 657, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD+          41 VAL  HN          5.50    (#     98:10  Unique    3.78, 4.78 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   11 LEU  HA           12 PHE  HN          2.80    (#     99:10  Unique    2.14, 2.23 A)
 &rst
  ixpk= 99, nxpk= 10, iat= 157, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 THR  HA           55 GLU  HN          3.50    (#    101:10  Unique    2.12, 2.16 A)
 &rst
  ixpk= 101, nxpk= 10, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           55 GLU  HN          3.50    (#    102:10  Unique    2.63, 2.74 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 870, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#    103:10  Unique    2.81, 2.83 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 882, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  HA           79 THR  HN          2.80    (#    104:10  Unique    2.17, 2.24 A)
 &rst
  ixpk= 104, nxpk= 10, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 THR  HA           79 THR  HN          4.50    (#    105:10  Unique    2.93, 2.96 A)
 &rst
  ixpk= 105, nxpk= 10, iat=1256,1254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:106     79 THR  HN          3.50    (#    106:10  Single Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 196, 157,
 &end
#
#   21 ASN  HA           22 GLU  HN          3.50    (#    108:10  Unique    2.35, 2.42 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           22 GLU  HN          3.50    (#    109:10  Unique    2.77, 2.80 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:111     26 SER  HN          3.50    (#    111:10  Single Ambig)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 349, 383,
 &end
#
#   26 SER  HB+          26 SER  HN          3.50    (#    112:10  Unique    2.54, 3.09 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   26 SER  HB-          26 SER  HN          3.50    (#    113:10  Unique    2.54, 3.09 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   26 SER  HA           26 SER  HN          3.50    (#    114:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 114, nxpk= 10, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ASP  HA           46 ASP  HN          3.50    (#    116:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 116, nxpk= 10, iat= 742, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HN            9 GLN  HN          3.50    (#    117:10  Unique    2.58, 3.01 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 136, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HN           11 LEU  HN          5.50    (#    118:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 118, nxpk= 10, iat= 136, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           11 LEU  HN          4.50    (#    119:10  Unique    2.66, 2.74 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 801, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:120     78 ILE  HN          4.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1059, 213,
 &end
#
#   66 GLN  HE2+         78 ILE  HN          3.50    (#    121:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1054,1055,
 &end
#
#   66 GLN  HE2-         78 ILE  HN          4.50    (#    122:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   79 THR  HN           78 ILE  HN          5.50    (#    123:10  Unique    4.26, 4.38 A)
 &rst
  ixpk= 123, nxpk= 10, iat=1254,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HN           41 VAL  HN          4.50    (#    124:10  Unique    4.45, 4.52 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 636, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:125     12 PHE  HN          4.50    (#    125:10  Single Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1288,1268, 801,
 &end
#
#   79 THR  HN           12 PHE  HN          4.50    (#    126:10  Unique    2.80, 2.88 A)
 &rst
  ixpk= 126, nxpk= 10, iat=1254, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           55 GLU  HN          4.50    (#    127:10  Unique    2.68, 2.72 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 895, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           22 GLU  HN          3.50    (#    128:10  Unique    2.71, 2.78 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 347, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ALA  HN           76 MET  HN          5.50    (#    129:10  Unique    4.45, 4.49 A)
 &rst
  ixpk= 129, nxpk= 10, iat=1186,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HN           76 MET  HN          5.50    (#    130:10  Unique    3.41, 3.56 A)
 &rst
  ixpk= 130, nxpk= 10, iat=1066,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ILE  HN           76 MET  HN          3.50    (#    131:10  Unique    3.05, 3.10 A)
 &rst
  ixpk= 131, nxpk= 10, iat=1108,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:133     39 ARG  HN          4.50    (#    133:10  Single Ambig)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 636, 596,
 &end
#
#   14 THR  HN           79 THR  HN          5.50    (#    134:10  Unique    5.04, 5.29 A)
 &rst
  ixpk= 134, nxpk= 10, iat= 213,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HN           26 SER  HN          5.50    (#    135:10  Unique    3.84, 3.93 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 MET  HN           26 SER  HN          3.50    (#    136:10  Unique    2.69, 2.83 A)
 &rst
  ixpk= 136, nxpk= 10, iat= 411, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU  HN           39 ARG  HN          5.50    (#    137:10  Unique    5.18, 5.41 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 817, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HN           39 ARG  HN          3.50    (#    138:10  Unique    2.67, 2.85 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 781, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HD           13 LEU  HN          3.50    (#    139:10  Unique    2.51, 3.86 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 182, 190,
 &end
#
#   49 PHE  HA           13 LEU  HN          5.50    (#    140:10  Unique    3.06, 3.18 A)
 &rst
  ixpk= 140, nxpk= 10, iat= 783, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           51 GLU  HN          3.50    (#    141:10  Unique    2.59, 2.66 A)
 &rst
  ixpk= 141, nxpk= 10, iat= 581, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASN  HN            9 GLN  HN          5.50    (#    142:10  Unique    4.27, 4.33 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HD           12 PHE  HN          5.50    (#    143:10  Unique    4.74, 4.84 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   37 GLU  HN           38 VAL  HN          5.50    (#    144:10  Unique    4.40, 4.45 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HA           50 VAL  HN          3.50    (#    145:10  Unique    2.28, 2.33 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 783, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PHE  HA           49 PHE  HN          4.50    (#    146:10  Unique    2.95, 2.96 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 783, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ALA  HN           13 LEU  HN          4.50    (#    147:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 771, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 PHE  HD           52 PHE  HN          4.50    (#    148:10  Unique    2.88, 4.37 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#    8 ASN  HD2+         81 ALA  HN          4.50    (#    150:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
#   35 PHE  HE           38 VAL  HN          4.50    (#    151:10  Unique    3.95, 5.30 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           38 VAL  HN          4.50    (#    152:10  Unique    3.65, 4.26 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 551, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           80 PHE  HN          4.50    (#    153:10  Unique    2.90, 3.80 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1276,1284,
 &end
#
#   49 PHE  HD           50 VAL  HN          4.50    (#    154:10  Unique    3.60, 4.78 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#   16 LEU  HN           15 ASN  HN          3.50    (#    155:10  Unique    2.73, 2.78 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 241, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PHE  HD           49 PHE  HN          3.50    (#    156:10  Unique    2.92, 4.25 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 789, 797,
 &end
#
#   54 THR  HN           53 THR  HN          3.50    (#    157:10  Unique    2.71, 2.75 A)
 &rst
  ixpk= 157, nxpk= 10, iat= 866, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 PHE  HD           53 THR  HN          4.50    (#    158:10  Unique    2.80, 4.20 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#   20 THR  HN           19 GLU  HN          4.50    (#    159:10  Unique    2.67, 2.79 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 304, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           43 ASN  HN          3.50    (#    160:10  Unique    1.77, 2.21 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 699, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HN           34 GLY  HN          4.50    (#    161:10  Unique    2.00, 2.22 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 539, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HN           26 SER  HN          4.50    (#    162:10  Unique    4.11, 4.15 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 428, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HN           26 SER  HN          3.50    (#    163:10  Unique    2.60, 2.63 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HN           46 ASP  HN          3.50    (#    164:10  Unique    1.79, 2.45 A)
 &rst
  ixpk= 164, nxpk= 10, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HN           81 ALA  HN          4.50    (#    165:10  Unique    3.40, 3.63 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 174,1288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           40 LEU  HN          5.50    (#    166:10  Unique    3.74, 4.05 A)
 &rst
  ixpk= 166, nxpk= 10, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           40 LEU  HN          4.50    (#    167:10  Unique    4.45, 4.52 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 655, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           38 VAL  HN          4.50    (#    168:10  Unique    4.26, 4.35 A)
 &rst
  ixpk= 168, nxpk= 10, iat= 612, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           50 VAL  HN          4.50    (#    169:10  Unique    2.66, 2.74 A)
 &rst
  ixpk= 169, nxpk= 10, iat= 155, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           49 PHE  HN          4.50    (#    170:10  Unique    2.67, 2.85 A)
 &rst
  ixpk= 170, nxpk= 10, iat= 612, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:171     79 THR  HN          3.50    (#    171:10  Single Ambig)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 174,1235,
 &end
#
#    0 AMB  10-2:172     51 GLU  HN          4.50    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 832, 596,
 &end
#
#   82 LYS  HN           81 ALA  HN          5.50    (#    173:10  Unique    4.61, 4.64 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1298,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           53 THR  HN          4.50    (#    174:10  Unique    4.36, 4.39 A)
 &rst
  ixpk= 174, nxpk= 10, iat= 832, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           51 GLU  HN          5.50    (#    175:10  Unique    5.18, 5.41 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 612, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           44 ARG  HE          5.50    (#    176:10  Unique    2.98, 3.71 A)
 &rst
  ixpk= 176, nxpk= 10, iat= 740, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HN           13 LEU  HN          5.50    (#    177:10  Unique    4.27, 4.35 A)
 &rst
  ixpk= 177, nxpk= 10, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 PHE  HN            5 GLN  HN          5.50    (#    178:10  Unique    3.21, 4.10 A)
 &rst
  ixpk= 178, nxpk= 10, iat=1268,  60, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HN           68 PHE  HN          5.50    (#    179:10  Unique    3.41, 3.56 A)
 &rst
  ixpk= 179, nxpk= 10, iat=1196,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           23 MET  HN          5.50    (#    180:10  Unique    4.54, 4.63 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 400, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           24 MET  HN          5.50    (#    181:10  Unique    3.84, 3.93 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 400, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 THR  HN           14 THR  HN          5.50    (#    182:10  Unique    5.04, 5.29 A)
 &rst
  ixpk= 182, nxpk= 10, iat=1254, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LEU  HN           14 THR  HN          4.50    (#    183:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 183, nxpk= 10, iat= 194, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           52 PHE  HN          4.50    (#    184:10  Unique    4.30, 4.37 A)
 &rst
  ixpk= 184, nxpk= 10, iat= 817, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           38 VAL  HN          5.50    (#    185:10  Unique    4.71, 4.87 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 817, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HN           14 THR  HN          3.50    (#    186:10  Unique    2.83, 2.91 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1213, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HA           13 LEU  HN          2.80    (#    187:10  Unique    2.18, 2.22 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 176, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 GLU  HA           51 GLU  HN          4.50    (#    188:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HA           51 GLU  HN          2.80    (#    189:10  Unique    2.26, 2.30 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 803, 817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HA            1 ALA  HN          4.50    (#    193:10  Unique    4.38, 7.81 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  16,   2, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 ALA  HA            1 ALA  HN          5.50    (#    194:10  Unique    1.61, 7.02 A)
 &rst
  ixpk= 194, nxpk= 10, iat=   6,   2, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:195     52 PHE  HN          2.80    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 819, 834,
 &end
#
#   82 LYS  HA           83 LYS  HN          2.80    (#    197:10  Unique    2.23, 2.47 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1300,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   80 PHE  HA           81 ALA  HN          3.50    (#    198:10  Unique    2.21, 2.25 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1270,1288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ALA  HA           81 ALA  HN          4.50    (#    199:10  Unique    2.89, 2.91 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1290,1288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            4 GLU  HN          5.50    (#    204:10  Unique    4.49, 5.23 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  62,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 THR  HA            4 GLU  HN          3.50    (#    205:10  Unique    2.20, 2.46 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  33,  45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 THR  HB            4 GLU  HN          4.50    (#    206:10  Unique    2.02, 3.45 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  35,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            5 GLN  HN          3.50    (#    208:10  Unique    2.83, 2.92 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  62,  60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 PRO  HD+           5 GLN  HN          4.50    (#    209:10  Unique    4.70, 4.87 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#    4 GLU  HA            5 GLN  HN          2.80    (#    210:10  Unique    2.26, 2.37 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  47,  60, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 ARG  HA           40 LEU  HN          2.80    (#    211:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 LEU  HA           40 LEU  HN          3.50    (#    212:10  Unique    2.91, 2.96 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:213      0 AMB  10-1:213    5.50    (#    213:10  Double Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 773,1258,
 igr2= 636,1298,
 &end
#
#   65 LEU  HA           68 PHE  HN          4.50    (#    214:10  Unique    3.63, 3.74 A)
 &rst
  ixpk= 214, nxpk= 10, iat=1025,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:216     68 PHE  HN          5.50    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1188,1088,
 &end
#
#   68 PHE  HA           68 PHE  HN          3.50    (#    218:10  Unique    2.84, 2.86 A)
 &rst
  ixpk= 218, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 GLN  HA           68 PHE  HN          4.50    (#    219:10  Unique    3.44, 3.57 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HA-          68 PHE  HN          4.50    (#    220:10  Unique    3.26, 3.38 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
#   76 MET  HA           68 PHE  HN          7.00    (#    221:10  Unique    5.17, 5.29 A)
 &rst
  ixpk= 221, nxpk= 10, iat=1198,1066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 MET  HA           23 MET  HN          3.50    (#    222:10  Unique    2.82, 2.86 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           23 MET  HN          4.50    (#    223:10  Unique    3.52, 3.55 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 334, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 VAL  HA           38 VAL  HN          3.50    (#    225:10  Unique    2.88, 2.95 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 598, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 GLU  HA           38 VAL  HN          2.80    (#    226:10  Unique    2.33, 2.43 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 583, 596, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 PRO  HA           18 GLU  HN          2.80    (#    228:10  Unique    2.26, 2.33 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HA           18 GLU  HN          3.50    (#    229:10  Unique    2.79, 2.84 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 PHE  HA           80 PHE  HN          3.50    (#    230:10  Unique    2.89, 2.93 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 THR  HA           80 PHE  HN          2.80    (#    231:10  Unique    2.28, 2.37 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1256,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    1 ALA  HA            2 GLN  HN          4.50    (#    232:10  Unique    2.20, 2.91 A)
 &rst
  ixpk= 232, nxpk= 10, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ILE  HA           50 VAL  HN          4.50    (#    236:10  Unique    4.27, 4.41 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 138, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HA           50 VAL  HN          5.50    (#    237:10  Unique    2.96, 2.97 A)
 &rst
  ixpk= 237, nxpk= 10, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLU  HA           24 MET  HN          5.50    (#    238:10  Unique    4.11, 4.27 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 334, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:239     24 MET  HN          4.50    (#    239:10  Single Ambig)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 349, 383,
 &end
#
#   24 MET  HA           24 MET  HN          3.50    (#    240:10  Unique    2.84, 2.88 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLY  HA+          67 GLY  HN          3.50    (#    242:10  Unique    2.27, 2.61 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#   66 GLN  HA           67 GLY  HN          2.80    (#    244:10  Unique    2.16, 2.18 A)
 &rst
  ixpk= 244, nxpk= 10, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HA-          67 GLY  HN          3.50    (#    245:10  Unique    2.27, 2.61 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#   26 SER  HA           30 ASN  HN          4.50    (#    246:10  Unique    3.85, 3.94 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 402, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           30 ASN  HN          4.50    (#    247:10  Unique    3.44, 3.46 A)
 &rst
  ixpk= 247, nxpk= 10, iat= 449, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HA           30 ASN  HN          2.80    (#    248:10  Unique    2.78, 2.80 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 469, 467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 THR  HA           15 ASN  HN          3.50    (#    249:10  Unique    2.38, 2.42 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           15 ASN  HN          3.50    (#    250:10  Unique    2.32, 2.39 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 217, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:251      0 AMB  10-1:251    2.80    (#    251:10  Double Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 229, 773,
 igr2= 227, 781,
 &end
#
#    0 AMB  10-2:252     49 PHE  HN          4.50    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 598, 614,
 &end
#
#    0 AMB  10-2:253      0 AMB  10-1:253    4.50    (#    253:10  Double Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 638, 742,
 igr2= 781, 227,
 &end
#
#   52 PHE  HA           53 THR  HN          3.50    (#    254:10  Unique    2.20, 2.26 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 834, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HB           53 THR  HN          3.50    (#    255:10  Unique    2.17, 2.21 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 856, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HA           53 THR  HN          3.50    (#    256:10  Unique    2.82, 2.84 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 854, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLU  HA           19 GLU  HN          2.80    (#    258:10  Unique    2.83, 2.84 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 PRO  HA           19 GLU  HN          5.50    (#    259:10  Unique    3.85, 3.96 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD+          19 GLU  HN          5.50    (#    260:10  Unique    5.34, 5.75 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   43 ASN  HA           43 ASN  HN          2.80    (#    262:10  Unique    2.17, 2.65 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 687, 685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 PRO  HA           43 ASN  HN          2.80    (#    263:10  Unique    2.08, 2.59 A)
 &rst
  ixpk= 263, nxpk= 10, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   34 GLY  HA-          34 GLY  HN          3.50    (#    265:10  Unique    2.44, 2.74 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 535,
 &end
#
#   33 PRO  HA           34 GLY  HN          3.50    (#    266:10  Unique    3.26, 3.43 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HB+          34 GLY  HN          3.50    (#    267:10  Unique    3.02, 3.36 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#   13 LEU  HA           14 THR  HN          2.80    (#    269:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 196, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:270     14 THR  HN          4.50    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1215,
 &end
#
#   14 THR  HB           14 THR  HN          4.50    (#    272:10  Unique    3.69, 3.79 A)
 &rst
  ixpk= 272, nxpk= 10, iat= 217, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:273     52 PHE  HN          3.50    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:274     52 PHE  HN          4.50    (#    274:10  Single Ambig)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 126, 127, 126, 127,
 &end
#
#    0 AMB  10-2:275     81 ALA  HN          3.50    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1272,1273, 109, 110,
 &end
#
#   80 PHE  HB+          80 PHE  HN          4.50    (#    276:10  Unique    2.26, 2.97 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   80 PHE  HB-          80 PHE  HN          4.50    (#    277:10  Unique    2.26, 2.97 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   49 PHE  HB+          50 VAL  HN          3.50    (#    278:10  Unique    2.52, 3.22 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#   15 ASN  HB-          15 ASN  HN          4.50    (#    279:10  Unique    3.01, 3.36 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   49 PHE  HB+          49 PHE  HN          4.50    (#    280:10  Unique    2.61, 3.24 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#   49 PHE  HB-          49 PHE  HN          3.50    (#    281:10  Unique    2.61, 3.24 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#    0 AMB  10-2:282     53 THR  HN          3.50    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#   43 ASN  HB-          43 ASN  HN          3.50    (#    283:10  Unique    2.79, 3.33 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 689, 690,
 &end
#
#    0 AMB  10-2:284     34 GLY  HN          4.50    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 525, 526, 918, 919,
 &end
#
#   13 LEU  HB-          13 LEU  HN          5.50    (#    285:10  Unique    2.36, 2.91 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 199,
 &end
#
#   13 LEU  HB+          13 LEU  HN          3.50    (#    286:10  Unique    2.36, 2.91 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   13 LEU  MDX          13 LEU  HN          3.50    (#    287:10  Unique    3.43, 4.76 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  10-2:288     51 GLU  HN          2.80    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 821, 822, 821, 822,
 &end
#
#   50 VAL  MGY          51 GLU  HN          3.50    (#    289:10  Unique    2.49, 4.07 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          51 GLU  HN          4.50    (#    290:10  Unique    2.49, 4.07 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   51 GLU  HG+          52 PHE  HN          3.50    (#    291:10  Unique    2.44, 2.73 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:292     83 LYS  HN          4.50    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1302,1303,1302,1303,
 &end
#
#    0 AMB  10-2:293     83 LYS  HN          3.50    (#    293:10  Single Ambig)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1327,1328,1327,1328,
 &end
#
#   11 LEU  MDY          81 ALA  HN          4.50    (#    294:10  Unique    3.08, 5.58 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   81 ALA  MB           81 ALA  HN          2.80    (#    295:10  Unique    2.48, 2.95 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1292,1293,1294,
 &end
#
#    0 AMB  10-2:296      5 GLN  HN          2.80    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  49,  50,  64,  65,
 &end
#
#    0 AMB  10-2:297      0 AMB  10-1:297    2.80    (#    297:10  Double Ambig)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1302,1303,1302,1303, 643,
 igr2=1298, 636,
 &end
#
#   39 ARG  HG+          40 LEU  HN          4.50    (#    298:10  Unique    2.77, 4.55 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   40 LEU  MDY          40 LEU  HN          3.50    (#    299:10  Unique    3.32, 4.62 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  MDX          40 LEU  HN          3.50    (#    300:10  Unique    3.32, 4.62 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:301      0 AMB  10-1:301    2.80    (#    301:10  Double Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1292,1293,1294,1305,1306, 619, 620,1327,1328,1327,
      1328,
 igr2=1298, 636,
 &end
#
#   38 VAL  MGY          38 VAL  HN          3.50    (#    302:10  Unique    2.76, 4.15 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:303     38 VAL  HN          2.80    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 588, 589, 585, 586,
 &end
#
#   38 VAL  MGX          38 VAL  HN          3.50    (#    304:10  Unique    2.76, 4.15 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  HN          5.50    (#    305:10  Unique    5.00, 6.45 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  10-2:306     18 GLU  HN          2.80    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 278, 279, 278, 279,
 &end
#
#    0 AMB  10-2:307     18 GLU  HN          3.50    (#    307:10  Single Ambig)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#   17 PRO  HB+          18 GLU  HN          4.50    (#    308:10  Unique    3.11, 3.55 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   17 PRO  HB-          18 GLU  HN          4.50    (#    309:10  Unique    3.11, 3.55 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   79 THR  MG2          80 PHE  HN          4.50    (#    310:10  Unique    2.36, 3.58 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1260,1261,1262,
 &end
#
#   50 VAL  HB           50 VAL  HN          3.50    (#    311:10  Unique    2.67, 2.72 A)
 &rst
  ixpk= 311, nxpk= 10, iat= 805, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 VAL  MGX          50 VAL  HN          3.50    (#    312:10  Unique    3.00, 4.27 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  10-2:313     50 VAL  HN          3.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 142, 143, 144, 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:314     50 VAL  HN          4.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 203, 204, 205, 207, 208, 209, 146, 147,
 &end
#
#   14 THR  MG2          15 ASN  HN          4.50    (#    315:10  Unique    3.77, 4.45 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:316      0 AMB  10-1:316    3.50    (#    316:10  Double Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 758, 759, 760, 645, 646, 647, 649, 650, 651,
 igr2= 227, 781,
 &end
#
#   48 ALA  MB           49 PHE  HN          3.50    (#    317:10  Unique    2.20, 3.13 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 775, 776, 777,
 &end
#
#   41 VAL  MGX          49 PHE  HN          5.50    (#    318:10  Unique    4.07, 6.89 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  10-2:319     53 THR  HN          4.50    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 563, 564, 858, 859, 860,
 &end
#
#    0 AMB  10-2:320     53 THR  HN          5.50    (#    320:10  Single Ambig)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 566, 567, 569, 570,
 &end
#
#    0 AMB  10-2:321     19 GLU  HN          2.80    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 296, 297, 296, 297,
 &end
#
#   19 GLU  HB-          19 GLU  HN          3.50    (#    322:10  Unique    2.40, 3.00 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 293, 294,
 &end
#
#    0 AMB  10-2:323     19 GLU  HN          3.50    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 278, 279, 278, 279,
 &end
#
#   42 PRO  HB-          43 ASN  HN          4.50    (#    324:10  Unique    3.10, 4.26 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 678, 679,
 &end
#
#   42 PRO  HB+          43 ASN  HN          4.50    (#    325:10  Unique    3.10, 4.26 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 678, 679,
 &end
#
#    5 GLN  HG+           5 GLN  HN          4.50    (#    326:10  Unique    3.30, 4.09 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    0 AMB  10-2:327      5 GLN  HN          4.50    (#    327:10  Single Ambig)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,  52,  53,
 &end
#
#    0 AMB  10-2:328      5 GLN  HN          3.50    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  64,  65,  52,  53,
 &end
#
#    1 ALA  MB            1 ALA  HN          5.50    (#    329:10  Unique    1.87, 7.10 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  10,
 &end
#
#    4 GLU  HB-           4 GLU  HN          3.50    (#    334:10  Unique    2.24, 3.21 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  49,  50,
 &end
#
#    4 GLU  HG-           4 GLU  HN          4.50    (#    335:10  Unique    2.07, 3.06 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    3 THR  MG2           4 GLU  HN          5.50    (#    336:10  Unique    2.02, 4.20 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  37,  38,  39,
 &end
#
#   68 PHE  HB+          68 PHE  HN          3.50    (#    338:10  Unique    2.37, 2.49 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          68 PHE  HN          3.50    (#    339:10  Unique    2.37, 2.49 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:340     68 PHE  HN          7.00    (#    340:10  Single Ambig)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1093,1094,1090,1091,
 &end
#
#   23 MET  HG+          23 MET  HN          4.50    (#    344:10  Unique    2.23, 3.70 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#   23 MET  HG-          23 MET  HN          4.50    (#    345:10  Unique    2.23, 3.70 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#    0 AMB  10-2:346     23 MET  HN          3.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 339, 340, 339, 340,
 &end
#
#    0 AMB  10-2:347     23 MET  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 351, 352, 336, 337,
 &end
#
#    0 AMB  10-2:348     23 MET  HN          2.80    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 351, 352, 336, 337,
 &end
#
#   24 MET  HG+          24 MET  HN          3.50    (#    349:10  Unique    2.18, 2.95 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#   23 MET  HG+          24 MET  HN          4.50    (#    350:10  Unique    4.02, 4.72 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#   24 MET  HG-          24 MET  HN          3.50    (#    351:10  Unique    2.18, 2.95 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#   24 MET  HB+          24 MET  HN          3.50    (#    352:10  Unique    2.47, 3.11 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  10-2:353     24 MET  HN          2.80    (#    353:10  Single Ambig)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 368, 369, 351, 352,
 &end
#
#   66 GLN  HB-          67 GLY  HN          4.50    (#    354:10  Unique    3.24, 4.06 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1046,1047,
 &end
#
#   75 ALA  MB           67 GLY  HN          5.50    (#    355:10  Unique    3.68, 4.95 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  10-2:356     58 SER  HN          4.50    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 921, 922, 921, 922,
 &end
#
#   58 SER  HA           58 SER  HN          3.50    (#    357:10  Unique    2.80, 2.85 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HB+          30 ASN  HN          3.50    (#    358:10  Unique    2.18, 2.59 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   30 ASN  HB-          30 ASN  HN          3.50    (#    359:10  Unique    2.18, 2.59 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   14 THR  MG2          14 THR  HN          3.50    (#    360:10  Unique    3.31, 4.06 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:361     14 THR  HN          5.50    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1217,1218,1245,1246,
 &end
#
#    0 AMB  10-2:362     14 THR  HN          4.50    (#    362:10  Single Ambig)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 198, 199, 201,
 &end
#
#    0 AMB  10-2:363     14 THR  HN          4.50    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 198, 199,1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:364     14 THR  HN          4.50    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 203, 204, 205, 207, 208, 209, 758, 759, 760, 390,
       391, 392, 394, 395, 396,
 &end
#
#   16 LEU  MDX          14 THR  HN          3.50    (#    365:10  Unique    3.19, 5.02 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  10-2:366     70 ILE  HN          3.50    (#    366:10  Single Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1118,1119,1112,
 &end
#
#    0 AMB  10-2:367     70 ILE  HN          4.50    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1090,1091,1096,1097,1093,1094,
 &end
#
#   70 ILE  HG1+         70 ILE  HN          4.50    (#    368:10  Unique    2.13, 2.92 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1119,
 &end
#
#    0 AMB  10-2:369     70 ILE  HN          4.50    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   36 LYS  HB+          36 LYS  HN          4.50    (#    371:10  Unique    2.55, 3.10 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:372     36 LYS  HN          4.50    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 566, 567, 569, 570,
 &end
#
#   36 LYS  HB-          36 LYS  HN          3.50    (#    373:10  Unique    2.55, 3.10 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:374     77 LYS  HN          3.50    (#    374:10  Single Ambig)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204, 231, 232,
 &end
#
#   77 LYS  HB+          77 LYS  HN          3.50    (#    375:10  Unique    2.47, 2.92 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1217,1218,
 &end
#
#   77 LYS  HB-          77 LYS  HN          3.50    (#    376:10  Unique    2.47, 2.92 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1217,1218,
 &end
#
#    0 AMB  10-2:378     59 ASN  HN          4.50    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  98,  99, 960, 961, 962,
 &end
#
#    0 AMB  10-2:379     59 ASN  HN          2.80    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 946, 947, 946, 947,
 &end
#
#   47 ILE  HB           48 ALA  HN          3.50    (#    380:10  Unique    2.48, 2.60 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HB+          48 ALA  HN          3.50    (#    381:10  Unique    2.98, 3.35 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   13 LEU  HB-          48 ALA  HN          3.50    (#    382:10  Unique    2.98, 3.35 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   48 ALA  MB           48 ALA  HN          3.50    (#    383:10  Unique    2.91, 3.48 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  10-2:384      0 AMB  10-1:384    3.50    (#    384:10  Double Ambig)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 970, 971, 972, 762, 763, 758, 759, 760,
 igr2= 976, 771,
 &end
#
#   16 LEU  HG           48 ALA  HN          4.50    (#    385:10  Unique    4.23, 4.37 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 248, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HB+          62 LYS  HN          3.50    (#    386:10  Unique    2.15, 2.48 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:387     27 MET  HN          2.80    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 415, 416, 415, 416,
 &end
#
#    0 AMB  10-2:388     27 MET  HN          3.50    (#    388:10  Single Ambig)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 418, 419, 418, 419,
 &end
#
#   13 LEU  HB-          16 LEU  HN          5.50    (#    389:10  Unique    5.37, 6.25 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 199,
 &end
#
#   16 LEU  HB+          16 LEU  HN          3.50    (#    390:10  Unique    2.58, 3.16 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   16 LEU  MDX          16 LEU  HN          3.50    (#    391:10  Unique    3.29, 4.28 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   16 LEU  HG           16 LEU  HN          3.50    (#    392:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 248, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HG+          63 GLU  HN          3.50    (#    393:10  Unique    2.23, 2.98 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#   63 GLU  HG-          63 GLU  HN          3.50    (#    394:10  Unique    2.23, 2.98 A)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:395     63 GLU  HN          2.80    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1002,1003, 980, 981,
 &end
#
#    0 AMB  10-2:396     63 GLU  HN          4.50    (#    396:10  Single Ambig)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1017,1018,1019, 960, 961, 962,
 &end
#
#   62 LYS  HD-          63 GLU  HN          4.50    (#    397:10  Unique    2.74, 4.47 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   62 LYS  HD+          63 GLU  HN          4.50    (#    398:10  Unique    2.74, 4.47 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   15 ASN  HB-          15 ASN  HD2+        3.50    (#    399:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   75 ALA  MB           15 ASN  HD2+        4.50    (#    400:10  Unique    3.01, 4.42 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:401     54 THR  HN          3.50    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 921, 922, 921, 922,
 &end
#
#   53 THR  MG2          54 THR  HN          4.50    (#    402:10  Unique    3.24, 4.05 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 858, 859, 860,
 &end
#
#   54 THR  MG2          54 THR  HN          3.50    (#    403:10  Unique    3.78, 4.35 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 872, 873, 874,
 &end
#
#   69 LYS  HE+          69 LYS  HN          5.50    (#    404:10  Unique    4.78, 5.46 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#    0 AMB  10-2:405     32 PHE  HN          4.50    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#    0 AMB  10-2:406     10 ILE  HN          3.50    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127, 126, 127,
 &end
#
#   66 GLN  HG-          66 GLN  HE2-        3.50    (#    407:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG+          66 GLN  HE2-        3.50    (#    408:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:409     36 LYS  HN          4.50    (#    409:10  Single Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 543, 544, 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:410     54 THR  HN          3.50    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#   65 LEU  MDY          65 LEU  HN          3.50    (#    411:10  Unique    3.99, 4.79 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          65 LEU  HN          4.50    (#    412:10  Unique    3.99, 4.79 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:413     29 PHE  HN          5.50    (#    413:10  Single Ambig)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 &end
#
#    0 AMB  10-2:414      0 AMB  10-1:414    4.50    (#    414:10  Double Ambig)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 igr2= 493, 494, 493, 494,
 &end
#
#   69 LYS  HB-          69 LYS  HN          3.50    (#    416:10  Unique    2.42, 3.05 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1090,1091,
 &end
#
#   69 LYS  HG+          69 LYS  HN          4.50    (#    417:10  Unique    2.16, 3.13 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#    0 AMB  10-2:418     74 HIS  HN          4.50    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1161,1162,1163,1093,1094,
 &end
#
#   56 LEU  MDX          56 LEU  HN          4.50    (#    419:10  Unique    2.51, 3.93 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:420     56 LEU  HN          2.80    (#    420:10  Single Ambig)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 899, 900, 902, 884, 885, 884, 885,
 &end
#
#   56 LEU  HB-          56 LEU  HN          3.50    (#    421:10  Unique    2.28, 2.96 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          56 LEU  HN          4.50    (#    422:10  Unique    4.37, 4.91 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#   31 GLN  HB+          32 PHE  HN          4.50    (#    423:10  Unique    3.38, 3.92 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 485, 486,
 &end
#
#   61 ALA  MB           32 PHE  HN          5.50    (#    425:10  Unique    5.43, 6.42 A)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   10 ILE  HB           10 ILE  HN          3.50    (#    426:10  Unique    2.73, 2.89 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 140, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:427     10 ILE  HN          5.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1330,1331,1330,1331,
 &end
#
#    0 AMB  10-2:428     10 ILE  HN          4.50    (#    428:10  Single Ambig)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 &end
#
#   10 ILE  MG2          10 ILE  HN          4.50    (#    429:10  Unique    4.44, 4.81 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   44 ARG  HB+          44 ARG  HN          3.50    (#    431:10  Unique    2.27, 3.10 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:432     44 ARG  HN          3.50    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MD1          44 ARG  HN          4.50    (#    433:10  Unique    4.06, 5.09 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   44 ARG  HB-          44 ARG  HN          3.50    (#    434:10  Unique    2.27, 3.10 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:435     44 ARG  HN          4.50    (#    435:10  Single Ambig)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   64 ALA  MB           65 LEU  HN          2.80    (#    436:10  Unique    2.66, 3.49 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#    7 PRO  HB-          59 ASN  HD2+        4.50    (#    437:10  Unique    4.99, 5.94 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  98,  99,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:438     65 LEU  HN          3.50    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HN          3.50    (#    439:10  Unique    2.80, 2.84 A)
 &rst
  ixpk= 439, nxpk= 10, iat=1030,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:440      0 AMB  10-1:440    3.50    (#    440:10  Double Ambig)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 904, 905, 906, 908, 909, 910,1248,1249,1250,
 igr2= 951, 952,1023,
 &end
#
#   28 LEU  HB+          29 PHE  HN          4.50    (#    441:10  Unique    2.38, 2.88 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   28 LEU  HB-          29 PHE  HN          4.50    (#    442:10  Unique    2.38, 2.88 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   28 LEU  HG           29 PHE  HN          4.50    (#    443:10  Unique    4.50, 4.51 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HB+          31 GLN  HE2+        5.50    (#    444:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   31 GLN  HB-          31 GLN  HE2+        5.50    (#    445:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   78 ILE  MG2          66 GLN  HE2-        5.50    (#    446:10  Unique    4.32, 5.62 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1241,1242,1243,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:447     66 GLN  HE2-        4.50    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1239,1223,1224,1223,1224,1245,1246,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:448     71 THR  HN          4.50    (#    448:10  Single Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1118,1119,
 &end
#
#   70 ILE  HB           71 THR  HN          3.50    (#    449:10  Unique    2.50, 2.55 A)
 &rst
  ixpk= 449, nxpk= 10, iat=1112,1127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:450     71 THR  HN          4.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1096,1097,
 &end
#
#    0 AMB  10-2:451     71 THR  HN          4.50    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   70 ILE  MD1          71 THR  HN          4.50    (#    452:10  Unique    4.56, 5.38 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   74 HIS  HB+          74 HIS  HN          4.50    (#    453:10  Unique    2.68, 3.25 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   74 HIS  HB-          74 HIS  HN          3.50    (#    454:10  Unique    2.68, 3.25 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:455     56 LEU  HN          4.50    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 921, 922, 921, 922,
 &end
#
#   55 GLU  HG+          56 LEU  HN          4.50    (#    456:10  Unique    4.09, 4.81 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#   41 VAL  HB           44 ARG  HN          4.50    (#    457:10  Unique    2.62, 3.31 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 659, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 HIS  HB+          44 ARG  HN          5.50    (#    458:10  Unique    4.52, 5.96 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   43 ASN  HB-          44 ARG  HN          4.50    (#    459:10  Unique    2.73, 3.89 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#    0 AMB  10-2:460      0 AMB  10-1:460    3.50    (#    460:10  Double Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 946, 947, 946, 947,
 igr2= 951, 952, 951, 952,
 &end
#
#   66 GLN  HB-          65 LEU  HN          5.50    (#    461:10  Unique    4.35, 5.11 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#   29 PHE  HB-          29 PHE  HN          3.50    (#    462:10  Unique    2.35, 3.00 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 452,
 &end
#
#   29 PHE  HB+          29 PHE  HN          4.50    (#    463:10  Unique    2.35, 3.00 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#   76 MET  ME           29 PHE  HN          5.50    (#    464:10  Unique    5.46, 6.64 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:465      0 AMB  10-1:465    3.50    (#    465:10  Double Ambig)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 488, 489, 488, 489,
 igr2= 493, 494, 493, 494,
 &end
#
#   74 HIS  HB-          71 THR  HN          4.50    (#    466:10  Unique    2.47, 3.72 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   74 HIS  HB+          71 THR  HN          5.50    (#    467:10  Unique    2.47, 3.72 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1173,1174,
 &end
#
#   68 PHE  HB+          69 LYS  HN          5.50    (#    468:10  Unique    4.33, 4.38 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:469     32 PHE  HN          3.50    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 502, 503, 543, 544,
 &end
#
#   73 THR  MG2          73 THR  HN          4.50    (#    470:10  Unique    2.39, 3.41 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1161,1162,1163,
 &end
#
#    0 AMB  10-2:471     35 PHE  HN          3.50    (#    471:10  Single Ambig)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 502, 503,
 &end
#
#   57 GLN  HB-          57 GLN  HN          4.50    (#    473:10  Unique    2.43, 3.04 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:474     57 GLN  HN          3.50    (#    474:10  Single Ambig)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 921, 922, 921, 922,
 &end
#
#   56 LEU  HB+          57 GLN  HN          3.50    (#    475:10  Unique    2.80, 3.25 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   56 LEU  HB-          57 GLN  HN          4.50    (#    476:10  Unique    2.80, 3.25 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          57 GLN  HN          4.50    (#    477:10  Unique    5.20, 5.45 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#    0 AMB  10-2:478     60 ALA  HN          3.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#   60 ALA  MB           60 ALA  HN          2.80    (#    479:10  Unique    2.54, 2.91 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 960, 961, 962,
 &end
#
#    0 AMB  10-2:480     60 ALA  HN          5.50    (#    480:10  Single Ambig)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 904, 905, 906, 908, 909, 910, 164, 165, 166, 168,
       169, 170,
 &end
#
#   19 GLU  HB-          20 THR  HN          4.50    (#    481:10  Unique    3.29, 3.98 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 293, 294,
 &end
#
#   16 LEU  HB+          20 THR  HN          4.50    (#    482:10  Unique    4.47, 4.75 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#   19 GLU  HB+          20 THR  HN          4.50    (#    483:10  Unique    3.29, 3.98 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 293, 294,
 &end
#
#    0 AMB  10-2:484     20 THR  HN          4.50    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 267, 268,1114,1115,1116,
 &end
#
#    0 AMB  10-2:485     25 LEU  HN          5.50    (#    485:10  Single Ambig)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 371, 372, 354, 355,
 &end
#
#   24 MET  HB+          25 LEU  HN          3.50    (#    486:10  Unique    2.37, 2.97 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   24 MET  HB-          25 LEU  HN          2.80    (#    487:10  Unique    2.37, 2.97 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#   25 LEU  MDY          25 LEU  HN          3.50    (#    488:10  Unique    3.03, 4.32 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  HN          4.50    (#    489:10  Unique    2.44, 3.07 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#    0 AMB  10-2:490     25 LEU  HN          4.50    (#    490:10  Single Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 432, 433,
 &end
#
#   25 LEU  MDX          25 LEU  HN          3.50    (#    491:10  Unique    3.03, 4.32 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  HN          3.50    (#    492:10  Unique    2.35, 2.41 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 388, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 VAL  MGX          25 LEU  HN          5.50    (#    493:10  Unique    4.00, 5.45 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:494      0 AMB  10-1:494    2.80    (#    494:10  Double Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 689, 690, 689, 690,
 igr2= 694, 695, 694, 695,
 &end
#
#    5 GLN  HG+           5 GLN  HE2+        3.50    (#    495:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG-           5 GLN  HE2+        3.50    (#    496:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HB+           5 GLN  HE2+        4.50    (#    497:10  Unique    3.68, 4.47 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:498      0 AMB  10-1:498    4.50    (#    498:10  Double Ambig)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1308,1309,1308,1309,
 igr2=  72,  73,  72,  73,
 &end
#
#   21 ASN  HB+          21 ASN  HD2+        3.50    (#    499:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#   21 ASN  HB-          21 ASN  HD2+        3.50    (#    500:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#    2 GLN  HG+           2 GLN  HE2+        3.50    (#    501:10  Unique    2.23, 3.44 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  21,  22,
 igr2=  26,  27,
 &end
#
#    0 AMB  10-2:502      0 AMB  10-1:502    4.50    (#    502:10  Double Ambig)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=1220,1221,1220,1221,1260,1261,1262,
 igr2=  26,  27,  26,  27,  26,  27,
 &end
#
#    0 AMB  10-2:503      0 AMB  10-1:503    4.50    (#    503:10  Double Ambig)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 109, 110,1272,1273,
 igr2= 114, 115, 114, 115,
 &end
#
#    8 ASN  HB-           8 ASN  HD2+        3.50    (#    504:10  Unique    2.24, 3.20 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 109, 110,
 igr2= 114, 115,
 &end
#
#   82 LYS  HG+           8 ASN  HD2+        5.50    (#    505:10  Unique    5.38, 6.86 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1305,1306,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:506      0 AMB  10-1:506    4.50    (#    506:10  Double Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1330,1331,1330,1331,
 igr2= 114, 115, 114, 115,
 &end
#
#    0 AMB  10-2:507      0 AMB  10-1:507    3.50    (#    507:10  Double Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1327,1328,1327,1328,1292,1293,1294,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#    0 AMB  10-2:508      0 AMB  10-1:508    3.50    (#    508:10  Double Ambig)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 126, 127, 126, 127,
 igr2= 131, 132, 131, 132,
 &end
#
#    9 GLN  HB+           9 GLN  HE2+        4.50    (#    509:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    9 GLN  HB-           9 GLN  HE2+        4.50    (#    510:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:511      0 AMB  10-1:511    5.50    (#    511:10  Double Ambig)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 149, 150, 151, 146, 147,
 igr2= 131, 132, 131, 132,
 &end
#
#   66 GLN  HB-          66 GLN  HN          3.50    (#    512:10  Unique    2.15, 2.84 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1046,1047,
 &end
#
#   66 GLN  HB+          66 GLN  HN          2.80    (#    513:10  Unique    2.15, 2.84 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1046,1047,
 &end
#
#   66 GLN  HG+          66 GLN  HN          4.50    (#    514:10  Unique    2.78, 3.61 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   21 ASN  HB+          21 ASN  HN          4.50    (#    515:10  Unique    2.82, 3.26 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   21 ASN  HB-          21 ASN  HN          4.50    (#    516:10  Unique    2.82, 3.26 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   24 MET  HG-          21 ASN  HN          4.50    (#    517:10  Unique    2.44, 3.21 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372,
 &end
#
#   24 MET  HB+          21 ASN  HN          3.50    (#    518:10  Unique    2.21, 3.16 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  10-2:519     21 ASN  HN          5.50    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 351, 352, 336, 337,
 &end
#
#   24 MET  HG+          21 ASN  HN          4.50    (#    520:10  Unique    2.44, 3.21 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372,
 &end
#
#   61 ALA  HA           64 ALA  HN          5.50    (#    521:10  Unique    3.30, 3.35 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 968,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLU  HG+          64 ALA  HN          5.50    (#    522:10  Unique    2.81, 4.73 A)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#   63 GLU  HB-          64 ALA  HN          3.50    (#    523:10  Unique    2.72, 3.30 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   63 GLU  HB+          64 ALA  HN          3.50    (#    524:10  Unique    2.72, 3.30 A)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   63 GLU  HG-          64 ALA  HN          5.50    (#    525:10  Unique    2.81, 4.73 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#   30 ASN  HB+          30 ASN  HD2-        4.50    (#    526:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#   30 ASN  HB-          30 ASN  HD2-        4.50    (#    527:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:528      0 AMB  10-1:528    3.50    (#    528:10  Double Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 921, 922, 921, 922,
 igr2= 926, 927, 926, 927,
 &end
#
#   39 ARG  HD-          39 ARG  HE          5.50    (#    529:10  Unique    2.24, 2.65 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
#   39 ARG  HD+          39 ARG  HE          4.50    (#    530:10  Unique    2.24, 2.65 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 622, 623,
 &end
#
#   39 ARG  HB-          39 ARG  HE          4.50    (#    531:10  Unique    2.61, 4.10 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 616, 617,
 &end
#
#   78 ILE  MD1          66 GLN  HN          3.50    (#    532:10  Unique    2.83, 3.76 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   70 ILE  MG2          21 ASN  HN          5.50    (#    533:10  Unique    5.53, 6.25 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1114,1115,1116,
 &end
#
#   40 LEU  MDX          21 ASN  HN          5.50    (#    534:10  Unique    3.62, 5.46 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:535     21 ASN  HN          4.50    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651, 390, 391, 392, 394,
       395, 396,
 &end
#
#   25 LEU  HG           21 ASN  HN          5.50    (#    536:10  Unique    3.73, 3.87 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 388, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  MG2          66 GLN  HN          5.50    (#    537:10  Unique    5.05, 6.26 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1241,1242,1243,
 &end
#
#   65 LEU  MDY          66 GLN  HN          5.50    (#    538:10  Unique    5.30, 6.29 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    7 PRO  HB-           8 ASN  HN          5.50    (#    539:10  Unique    3.18, 3.58 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98,  99,
 &end
#
#    7 PRO  HA            8 ASN  HN          3.50    (#    540:10  Unique    2.20, 2.24 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 101, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:541     37 GLU  HN          2.80    (#    541:10  Single Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 821, 822, 821, 822, 585, 586,
 &end
#
#    0 AMB  10-2:542     37 GLU  HN          4.50    (#    542:10  Single Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 824, 825, 600,
 &end
#
#   36 LYS  HD+          37 GLU  HN          5.50    (#    543:10  Unique    4.81, 5.98 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   36 LYS  HB+          37 GLU  HN          3.50    (#    544:10  Unique    2.42, 3.14 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#   36 LYS  HB-          37 GLU  HN          3.50    (#    545:10  Unique    2.42, 3.14 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#   30 ASN  HB-          30 ASN  HD2+        4.50    (#    546:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:547      8 ASN  HN          5.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 109, 110, 946, 947,
 &end
#
#    0 AMB  10-2:548      8 ASN  HN          4.50    (#    548:10  Single Ambig)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 109, 110,1272,1273,
 &end
#
#    0 AMB  10-2:549     37 GLU  HN          5.50    (#    549:10  Single Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#   30 ASN  HB+          30 ASN  HD2+        4.50    (#    551:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:553     61 ALA  HN          5.50    (#    553:10  Single Ambig)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,1002,1003,
 &end
#
#   61 ALA  MB           61 ALA  HN          2.80    (#    554:10  Unique    2.48, 2.89 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 970, 971, 972,
 &end
#
#   58 SER  HA           61 ALA  HN          4.50    (#    555:10  Unique    3.29, 3.42 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 933, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ALA  HA           61 ALA  HN          3.50    (#    556:10  Unique    2.85, 2.86 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 968, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ALA  MB           61 ALA  HN          3.50    (#    557:10  Unique    2.64, 3.46 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 960, 961, 962,
 &end
#
#    0 AMB  10-2:558     28 LEU  HN          4.50    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 418, 419, 418, 419,
 &end
#
#   29 PHE  HB-          28 LEU  HN          5.50    (#    559:10  Unique    4.77, 5.62 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 452,
 &end
#
#    0 AMB  10-2:560     28 LEU  HN          4.50    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 422, 423, 424, 368, 369,
 &end
#
#   28 LEU  HB-          28 LEU  HN          3.50    (#    561:10  Unique    2.35, 3.01 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   28 LEU  HG           28 LEU  HN          3.50    (#    562:10  Unique    2.53, 2.59 A)
 &rst
  ixpk= 562, nxpk= 10, iat= 435, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HB+          28 LEU  HN          3.50    (#    563:10  Unique    2.35, 3.01 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   25 LEU  MDX          28 LEU  HN          5.50    (#    564:10  Unique    4.86, 6.65 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   28 LEU  MDY          28 LEU  HN          4.50    (#    565:10  Unique    3.89, 4.58 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX          28 LEU  HN          3.50    (#    566:10  Unique    3.89, 4.58 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   63 GLU  HG+          59 ASN  HD2-        4.50    (#    568:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   63 GLU  HG-          59 ASN  HD2-        5.50    (#    569:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:570     59 ASN  HD2-        3.50    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 946, 947, 946, 947,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:571     59 ASN  HD2-        5.50    (#    571:10  Single Ambig)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 960, 961, 962,  98,  99,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:572     31 GLN  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503, 543, 544,
 &end
#
#   31 GLN  HB-          31 GLN  HN          3.50    (#    573:10  Unique    2.33, 2.96 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 485, 486,
 &end
#
#   30 ASN  HB+          31 GLN  HN          5.50    (#    574:10  Unique    3.12, 3.87 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   30 ASN  HB-          31 GLN  HN          4.50    (#    575:10  Unique    3.12, 3.87 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 471, 472,
 &end
#
#    0 AMB  10-2:576     31 GLN  HN          3.50    (#    576:10  Single Ambig)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 488, 489, 488, 489,
 &end
#
#   31 GLN  HB+          31 GLN  HN          3.50    (#    577:10  Unique    2.33, 2.96 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 485, 486,
 &end
#
#   41 VAL  HB           43 ASN  HD2-        5.50    (#    578:10  Unique    5.38, 6.90 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    0 AMB  10-2:580     43 ASN  HD2-        3.50    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 689, 690, 689, 690,
 igr2= 694, 695,
 &end
#
#   42 PRO  HB-          43 ASN  HD2-        5.50    (#    581:10  Unique    3.85, 7.99 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679,
 igr2= 694, 695,
 &end
#
#    5 GLN  HB+           5 GLN  HE2-        4.50    (#    582:10  Unique    3.68, 4.47 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG+           5 GLN  HE2-        3.50    (#    583:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG-           5 GLN  HE2-        4.50    (#    584:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:585      5 GLN  HE2-        4.50    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1308,1309,1308,1309,
 igr2=  72,  73,
 &end
#
#   21 ASN  HB+          21 ASN  HD2-        4.50    (#    587:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#   21 ASN  HB-          21 ASN  HD2-        3.50    (#    588:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#    2 GLN  HG+           2 GLN  HE2-        4.50    (#    589:10  Unique    2.23, 3.44 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  21,  22,
 igr2=  26,  27,
 &end
#
#    8 ASN  HB-           8 ASN  HD2-        4.50    (#    590:10  Unique    2.24, 3.20 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 109, 110,
 igr2= 114, 115,
 &end
#
#   10 ILE  MD1           8 ASN  HD2-        4.50    (#    591:10  Unique    2.92, 5.14 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:592      8 ASN  HD2-        4.50    (#    592:10  Single Ambig)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 109, 110,1272,1273,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:593      8 ASN  HD2-        4.50    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 140,1324,1325,1324,1325,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:594      8 ASN  HD2-        3.50    (#    594:10  Single Ambig)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1327,1328,1327,1328,1292,1293,1294,
 igr2= 114, 115,
 &end
#
#   10 ILE  MG2           8 ASN  HD2-        5.50    (#    595:10  Unique    3.91, 5.08 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 142, 143, 144,
 igr2= 114, 115,
 &end
#
#   82 LYS  HG+           8 ASN  HD2-        5.50    (#    596:10  Unique    5.38, 6.86 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1305,1306,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:597      2 GLN  HE2-        4.50    (#    597:10  Single Ambig)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1220,1221,1220,1221,1260,1261,1262,
 igr2=  26,  27,
 &end
#
#   14 THR  MG2           2 GLN  HE2-        5.50    (#    598:10  Unique    2.07, 4.92 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 219, 220, 221,
 igr2=  26,  27,
 &end
#
#    0 AMB  10-2:600      0 AMB  10-1:600    5.50    (#    600:10  Double Ambig)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1223,1224,1223,1224, 485, 486,
 igr2=  26,  27, 493, 494,
 &end
#
#    0 AMB  10-2:601     31 GLN  HE2-        4.50    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 488, 489, 488, 489,
 igr2= 493, 494,
 &end
#
#   31 GLN  HB+          31 GLN  HE2-        5.50    (#    602:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   28 LEU  MDY          31 GLN  HE2-        5.50    (#    603:10  Unique    3.32, 5.32 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 493, 494,
 &end
#
#    0 AMB  10-2:604     31 GLN  HE2-        4.50    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 igr2= 493, 494,
 &end
#
#    9 GLN  HB-           9 GLN  HE2-        5.50    (#    607:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:608      9 GLN  HE2-        3.50    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 126, 127, 126, 127,
 igr2= 131, 132,
 &end
#
#    9 GLN  HB+           9 GLN  HE2-        5.50    (#    609:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:610      9 GLN  HE2-        5.50    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 563, 564, 858, 859, 860,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:611      9 GLN  HE2-        5.50    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 149, 150, 151, 146, 147,
 igr2= 131, 132,
 &end
#
#   15 ASN  HB-          15 ASN  HD2-        4.50    (#    612:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   75 ALA  MB           15 ASN  HD2-        4.50    (#    613:10  Unique    3.01, 4.42 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB-          15 ASN  HD2-        5.50    (#    614:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   46 ASP  HB-          47 ILE  HN          5.50    (#    615:10  Unique    2.70, 4.17 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744, 745,
 &end
#
#   44 ARG  HB+          47 ILE  HN          4.50    (#    616:10  Unique    2.40, 3.78 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#   47 ILE  MD1          47 ILE  HN          3.50    (#    617:10  Unique    2.11, 3.46 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 765, 766, 767,
 &end
#
#   44 ARG  HB-          47 ILE  HN          4.50    (#    618:10  Unique    2.40, 3.78 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:619     47 ILE  HN          4.50    (#    619:10  Single Ambig)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 706, 707, 245, 246,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          3.50    (#    620:10  Unique    1.98, 3.59 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 762, 763,
 &end
#
#    0 AMB  10-2:621     47 ILE  HN          4.50    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   53 THR  MG2          57 GLN  HE2-        5.50    (#    624:10  Unique    2.63, 3.92 A)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 858, 859, 860,
 igr2= 926, 927,
 &end
#
#   33 PRO  HB-          57 GLN  HE2-        5.50    (#    625:10  Unique    4.17, 6.06 A)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 926, 927,
 &end
#
#   54 THR  MG2          57 GLN  HE2-        4.50    (#    626:10  Unique    3.89, 5.28 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 873, 874,
 igr2= 926, 927,
 &end
#
#   60 ALA  HA           61 ALA  HN          4.50    (#    627:10  Unique    3.55, 3.55 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HA           28 LEU  HN          4.50    (#    628:10  Unique    2.99, 3.16 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 383, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:629     28 LEU  HN          3.50    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 430, 413, 366,
 &end
#
#   31 GLN  HA           31 GLN  HN          2.80    (#    630:10  Unique    2.82, 2.82 A)
 &rst
  ixpk= 630, nxpk= 10, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:632      8 ASN  HD2-        4.50    (#    632:10  Single Ambig)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1300,1322, 121,
 igr2= 114, 115,
 &end
#
#   28 LEU  HA           31 GLN  HE2-        4.50    (#    634:10  Unique    2.72, 3.39 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 494,
 &end
#
#   74 HIS  HA           15 ASN  HD2-        3.50    (#    636:10  Unique    2.61, 3.14 A)
 &rst
  ixpk= 636, nxpk= 10, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   15 ASN  HB+          15 ASN  HD2-        3.50    (#    637:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    638:10  Unique    2.91, 2.93 A)
 &rst
  ixpk= 638, nxpk= 10, iat= 754, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 THR  HB           57 GLN  HE2-        5.50    (#    640:10  Unique    2.53, 3.17 A)
 &rst
  ixpk= 640, nxpk= 10, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   50 VAL  HA           37 GLU  HN          5.50    (#    641:10  Unique    4.51, 4.54 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 803, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:642     37 GLU  HN          5.50    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 834, 541,
 &end
#
#    0 AMB  10-2:643     37 GLU  HN          3.50    (#    643:10  Single Ambig)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 561,
 &end
#
#    0 AMB  10-2:644      0 AMB  10-1:644    4.50    (#    644:10  Double Ambig)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 469, 413, 483,
 igr2= 476, 477, 476, 477, 476, 477,
 &end
#
#    0 AMB  10-2:648     73 THR  HN          5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1159,
 &end
#
#   65 LEU  HA           66 GLN  HN          4.50    (#    649:10  Unique    3.35, 3.37 A)
 &rst
  ixpk= 649, nxpk= 10, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HA           66 GLN  HN          3.50    (#    650:10  Unique    2.83, 2.86 A)
 &rst
  ixpk= 650, nxpk= 10, iat=1044,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HA           35 PHE  HN          5.50    (#    651:10  Unique    2.88, 2.91 A)
 &rst
  ixpk= 651, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLY  HA-          35 PHE  HN          4.50    (#    652:10  Unique    3.07, 3.34 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 534, 535,
 &end
#
#   33 PRO  HA           35 PHE  HN          4.50    (#    653:10  Unique    4.02, 4.19 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:654     35 PHE  HN          4.50    (#    654:10  Single Ambig)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 469, 519, 520,
 &end
#
#   32 PHE  HB+          35 PHE  HN          4.50    (#    655:10  Unique    2.91, 3.66 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 502, 503,
 &end
#
#   21 ASN  HA           21 ASN  HN          3.50    (#    656:10  Unique    2.87, 2.90 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:657     21 ASN  HN          4.50    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 366,
 &end
#
#   20 THR  HA           21 ASN  HN          2.80    (#    658:10  Unique    2.25, 2.31 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 306, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 THR  HB           57 GLN  HN          5.50    (#    659:10  Unique    3.01, 3.10 A)
 &rst
  ixpk= 659, nxpk= 10, iat= 870, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:660     57 GLN  HN          3.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 897, 935, 936,
 &end
#
#   57 GLN  HA           57 GLN  HN          3.50    (#    661:10  Unique    2.89, 2.91 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HA           60 ALA  HN          4.50    (#    663:10  Unique    3.56, 3.57 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 944, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HA           60 ALA  HN          4.50    (#    664:10  Unique    3.87, 3.99 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 897, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ALA  HA           60 ALA  HN          3.50    (#    665:10  Unique    2.84, 2.84 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 958, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HA           64 ALA  HN          3.50    (#    666:10  Unique    2.83, 2.83 A)
 &rst
  ixpk= 666, nxpk= 10, iat=1015,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HA           64 ALA  HN          3.50    (#    667:10  Unique    3.52, 3.54 A)
 &rst
  ixpk= 667, nxpk= 10, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HA           20 THR  HN          3.50    (#    668:10  Unique    2.85, 2.87 A)
 &rst
  ixpk= 668, nxpk= 10, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:671     20 THR  HN          3.50    (#    671:10  Single Ambig)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 308, 291,
 &end
#
#   18 GLU  HA           20 THR  HN          4.50    (#    672:10  Unique    3.18, 3.45 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 276, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HA           25 LEU  HN          3.50    (#    673:10  Unique    2.89, 2.90 A)
 &rst
  ixpk= 673, nxpk= 10, iat= 383, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 MET  HA           25 LEU  HN          3.50    (#    674:10  Unique    3.54, 3.55 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           25 LEU  HN          4.50    (#    675:10  Unique    3.51, 3.66 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 334, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           43 ASN  HD2+        4.50    (#    677:10  Unique    2.48, 4.51 A)
 &rst
  ixpk= 677, nxpk= 10, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 694, 695,
 &end
#
#    5 GLN  HA            5 GLN  HE2+        4.50    (#    678:10  Unique    2.29, 3.21 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:679      0 AMB  10-1:679    5.50    (#    679:10  Double Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1258,  16,
 igr2=  26,  27,  26,  27,
 &end
#
#    8 ASN  HA            8 ASN  HD2+        4.50    (#    681:10  Unique    4.30, 4.73 A)
 &rst
  ixpk= 681, nxpk= 10, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:682      0 AMB  10-1:682    5.50    (#    682:10  Double Ambig)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1300,1322, 121,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#   54 THR  HA            9 GLN  HE2+        5.50    (#    683:10  Unique    4.12, 4.34 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:685      0 AMB  10-1:685    4.50    (#    685:10  Double Ambig)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 854, 121,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:686     30 ASN  HD2-        4.50    (#    686:10  Single Ambig)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 469, 413, 483,
 igr2= 476, 477,
 &end
#
#   53 THR  HB           57 GLN  HE2+        5.50    (#    687:10  Unique    2.53, 3.17 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   34 GLY  HA-          57 GLN  HE2+        4.50    (#    688:10  Unique    2.21, 3.67 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:690     70 ILE  HN          2.80    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1088,1188,
 &end
#
#   70 ILE  HA           70 ILE  HN          3.50    (#    691:10  Unique    2.89, 2.90 A)
 &rst
  ixpk= 691, nxpk= 10, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HA           69 LYS  HN          3.50    (#    692:10  Unique    2.88, 2.89 A)
 &rst
  ixpk= 692, nxpk= 10, iat=1088,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HA           69 LYS  HN          3.50    (#    693:10  Unique    2.15, 2.19 A)
 &rst
  ixpk= 693, nxpk= 10, iat=1068,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:694     36 LYS  HN          3.50    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 541, 834,
 &end
#
#   36 LYS  HA           36 LYS  HN          3.50    (#    695:10  Unique    2.97, 2.99 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 561, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:697     75 ALA  HN          5.50    (#    697:10  Single Ambig)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1159,
 &end
#
#   77 LYS  HA           77 LYS  HN          3.50    (#    698:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 698, nxpk= 10, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 MET  HA           77 LYS  HN          2.80    (#    699:10  Unique    2.21, 2.25 A)
 &rst
  ixpk= 699, nxpk= 10, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 ASN  HB+          77 LYS  HN          4.50    (#    700:10  Unique    3.04, 3.86 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   74 HIS  HA           74 HIS  HN          3.50    (#    707:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:708     74 HIS  HN          4.50    (#    708:10  Single Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1157,1159,
 &end
#
#    0 AMB  10-2:709     74 HIS  HN          3.50    (#    709:10  Single Ambig)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1131,1088,1188,
 &end
#
#   58 SER  HB-          59 ASN  HN          5.50    (#    710:10  Unique    2.48, 3.73 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935, 936,
 &end
#
#   58 SER  HG           59 ASN  HN          4.50    (#    711:10  Unique    3.23, 3.38 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HB           56 LEU  HN          3.50    (#    712:10  Unique    2.31, 2.48 A)
 &rst
  ixpk= 712, nxpk= 10, iat= 870, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HA           56 LEU  HN          4.50    (#    713:10  Unique    4.07, 4.13 A)
 &rst
  ixpk= 713, nxpk= 10, iat= 868, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:715     56 LEU  HN          3.50    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 897, 882,
 &end
#
#   59 ASN  HA           59 ASN  HN          3.50    (#    716:10  Unique    2.80, 2.81 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 944, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:717     59 ASN  HN          3.50    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 897, 882,
 &end
#
#    0 AMB  10-2:718     59 ASN  HN          4.50    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 916, 958,
 &end
#
#   32 PHE  HA           32 PHE  HN          4.50    (#    719:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 500, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           32 PHE  HN          4.50    (#    720:10  Unique    3.89, 3.96 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 449, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:721     32 PHE  HN          3.50    (#    721:10  Single Ambig)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 469, 483, 519, 520,
 &end
#
#   32 PHE  HB+          32 PHE  HN          3.50    (#    722:10  Unique    2.60, 3.19 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#    0 AMB  10-2:723     10 ILE  HN          3.50    (#    723:10  Single Ambig)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 138, 938,
 &end
#
#    8 ASN  HA           10 ILE  HN          4.50    (#    724:10  Unique    3.74, 4.11 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 107, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:725     10 ILE  HN          4.50    (#    725:10  Single Ambig)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 121, 935, 936,
 &end
#
#    0 AMB  10-2:726     48 ALA  HN          4.50    (#    726:10  Single Ambig)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 196,
 &end
#
#   47 ILE  HA           48 ALA  HN          3.50    (#    727:10  Unique    2.33, 2.41 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 754, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HA           48 ALA  HN          5.50    (#    728:10  Unique    3.82, 3.95 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 215, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:729      0 AMB  10-1:729    3.50    (#    729:10  Double Ambig)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 773, 944,
 igr2= 771, 976,
 &end
#
#   42 PRO  HA           44 ARG  HN          4.50    (#    731:10  Unique    3.41, 4.11 A)
 &rst
  ixpk= 731, nxpk= 10, iat= 681, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           44 ARG  HN          3.50    (#    734:10  Unique    3.30, 3.47 A)
 &rst
  ixpk= 734, nxpk= 10, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HA           62 LYS  HN          4.50    (#    735:10  Unique    2.83, 2.84 A)
 &rst
  ixpk= 735, nxpk= 10, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:736     27 MET  HN          2.80    (#    736:10  Single Ambig)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 413, 366,
 &end
#
#    0 AMB  10-2:737     27 MET  HN          4.50    (#    737:10  Single Ambig)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 349, 383,
 &end
#
#   26 SER  HA           27 MET  HN          4.50    (#    738:10  Unique    3.60, 3.64 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HG           58 SER  HN          4.50    (#    739:10  Unique    1.81, 3.18 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 938, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HB+          58 SER  HN          2.80    (#    740:10  Unique    2.69, 3.16 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 936,
 &end
#
#    3 THR  HB            3 THR  HN          5.50    (#    743:10  Unique    2.62, 3.25 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 GLN  HA            3 THR  HN          3.50    (#    747:10  Unique    2.21, 2.39 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  16,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           16 LEU  HN          5.50    (#    748:10  Unique    4.81, 4.87 A)
 &rst
  ixpk= 748, nxpk= 10, iat= 217, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           16 LEU  HN          4.50    (#    749:10  Unique    3.34, 3.39 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 215, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ASP  HA           16 LEU  HN          4.50    (#    751:10  Unique    2.71, 3.04 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 742, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:752     16 LEU  HN          3.50    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 229, 243,
 &end
#
#   60 ALA  HA           59 ASN  HD2+        5.50    (#    753:10  Unique    3.53, 4.31 A)
 &rst
  ixpk= 753, nxpk= 10, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:754      0 AMB  10-1:754    4.50    (#    754:10  Double Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 897,1015,
 igr2= 951, 952,1023,
 &end
#
#   65 LEU  HA           65 LEU  HN          3.50    (#    755:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 755, nxpk= 10, iat=1025,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:756      0 AMB  10-1:756    4.50    (#    756:10  Double Ambig)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1000,1044,
 igr2=1023, 951, 952,
 &end
#
#   62 LYS  HA           63 GLU  HN          5.50    (#    757:10  Unique    3.61, 3.64 A)
 &rst
  ixpk= 757, nxpk= 10, iat= 978, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  HA           63 GLU  HN          5.50    (#    758:10  Unique    5.34, 5.37 A)
 &rst
  ixpk= 758, nxpk= 10, iat=1015, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HA           63 GLU  HN          3.50    (#    759:10  Unique    3.24, 3.38 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 958, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HA           63 GLU  HN          3.50    (#    760:10  Unique    2.81, 2.82 A)
 &rst
  ixpk= 760, nxpk= 10, iat=1000, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HA           63 GLU  HN          5.50    (#    761:10  Unique    3.90, 3.98 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 944, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  HA           29 PHE  HN          3.50    (#    762:10  Unique    3.55, 3.56 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HA           29 PHE  HN          4.50    (#    763:10  Unique    3.62, 3.80 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 402, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           29 PHE  HN          3.50    (#    764:10  Unique    2.88, 2.89 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 449, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HA           31 GLN  HE2+        3.50    (#    765:10  Unique    2.72, 3.39 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 493, 494,
 &end
#
#   77 LYS  HA           66 GLN  HE2+        5.50    (#    766:10  Unique    3.05, 4.68 A)
 &rst
  ixpk= 766, nxpk= 10, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   74 HIS  HA           15 ASN  HD2+        3.50    (#    768:10  Unique    2.61, 3.14 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   76 MET  HA           15 ASN  HD2+        5.50    (#    769:10  Unique    4.19, 5.06 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 236, 237,
 &end
#
#   15 ASN  HB+          15 ASN  HD2+        3.50    (#    770:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:772     71 THR  HN          4.50    (#    772:10  Single Ambig)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1131,1129,1088,
 &end
#
#   70 ILE  HA           71 THR  HN          4.50    (#    773:10  Unique    3.51, 3.53 A)
 &rst
  ixpk= 773, nxpk= 10, iat=1110,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HA           54 THR  HN          3.50    (#    774:10  Unique    2.95, 2.95 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 868, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HB           54 THR  HN          3.50    (#    775:10  Unique    2.38, 2.49 A)
 &rst
  ixpk= 775, nxpk= 10, iat= 856, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           54 THR  HN          4.50    (#    776:10  Unique    3.55, 3.64 A)
 &rst
  ixpk= 776, nxpk= 10, iat= 870, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:777     54 THR  HN          3.50    (#    777:10  Single Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 854, 121,
 &end
#
#   62 LYS  HN           61 ALA  HN          3.50    (#    778:10  Unique    2.70, 2.72 A)
 &rst
  ixpk= 778, nxpk= 10, iat= 976, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           28 LEU  HN          3.50    (#    779:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 779, nxpk= 10, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HN           28 LEU  HN          5.50    (#    780:10  Unique    3.81, 3.91 A)
 &rst
  ixpk= 780, nxpk= 10, iat= 467, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:781     59 ASN  HD2-        5.50    (#    781:10  Single Ambig)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 942, 998,
 igr2= 951, 952,
 &end
#
#   30 ASN  HN           31 GLN  HN          3.50    (#    782:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 782, nxpk= 10, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:783      0 AMB  10-1:783    5.50    (#    783:10  Double Ambig)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 347,  14, 213,
 igr2= 327, 328,  26,  27,
 &end
#
#   75 ALA  HN           15 ASN  HD2-        3.50    (#    784:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   51 GLU  HN           37 GLU  HN          3.50    (#    785:10  Unique    2.59, 2.66 A)
 &rst
  ixpk= 785, nxpk= 10, iat= 817, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:786     37 GLU  HN          4.50    (#    786:10  Single Ambig)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 596, 832,
 &end
#
#   36 LYS  HN           37 GLU  HN          3.50    (#    787:10  Unique    2.27, 2.33 A)
 &rst
  ixpk= 787, nxpk= 10, iat= 559, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ASP  HN           47 ILE  HN          3.50    (#    788:10  Unique    1.79, 2.45 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 740, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 ALA  HN           47 ILE  HN          5.50    (#    789:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 789, nxpk= 10, iat= 771, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HN           61 ALA  HN          3.50    (#    790:10  Unique    2.74, 2.77 A)
 &rst
  ixpk= 790, nxpk= 10, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 PHE  HN           28 LEU  HN          3.50    (#    791:10  Unique    2.67, 2.76 A)
 &rst
  ixpk= 791, nxpk= 10, iat= 447, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HN           31 GLN  HN          3.50    (#    793:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 793, nxpk= 10, iat= 498, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 PHE  HD            8 ASN  HN          3.50    (#    800:10  Unique    2.22, 3.75 A)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1276,1284,
 &end
#
#    9 GLN  HN           10 ILE  HN          3.50    (#    801:10  Unique    2.58, 3.01 A)
 &rst
  ixpk= 801, nxpk= 10, iat= 119, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           27 MET  HN          3.50    (#    802:10  Unique    2.69, 2.83 A)
 &rst
  ixpk= 802, nxpk= 10, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ILE  HN           66 GLN  HE2-        4.50    (#    803:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 803, nxpk= 10, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1054,1055,
 &end
#
#   34 GLY  HN           35 PHE  HN          3.50    (#    804:10  Unique    2.00, 2.22 A)
 &rst
  ixpk= 804, nxpk= 10, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HN           48 ALA  HN          3.50    (#    805:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 805, nxpk= 10, iat= 194, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASN  HN           44 ARG  HN          3.50    (#    806:10  Unique    1.77, 2.21 A)
 &rst
  ixpk= 806, nxpk= 10, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HN           20 THR  HN          4.50    (#    807:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 274, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           16 LEU  HN          3.50    (#    808:10  Unique    2.73, 2.78 A)
 &rst
  ixpk= 808, nxpk= 10, iat= 227, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HN           54 THR  HN          3.50    (#    809:10  Unique    2.71, 2.75 A)
 &rst
  ixpk= 809, nxpk= 10, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           25 LEU  HN          3.50    (#    810:10  Unique    2.60, 2.63 A)
 &rst
  ixpk= 810, nxpk= 10, iat= 400, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           56 LEU  HN          4.50    (#    811:10  Unique    2.68, 2.72 A)
 &rst
  ixpk= 811, nxpk= 10, iat= 880, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HN           70 ILE  HN          4.50    (#    812:10  Unique    3.05, 3.10 A)
 &rst
  ixpk= 812, nxpk= 10, iat=1196,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HN           77 LYS  HN          5.50    (#    813:10  Unique    4.60, 4.64 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN           66 GLN  HE2+        4.50    (#    814:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 814, nxpk= 10, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1054,1055,
 &end
#
#   22 GLU  HN           21 ASN  HN          5.50    (#    815:10  Unique    4.29, 4.31 A)
 &rst
  ixpk= 815, nxpk= 10, iat= 332, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLU  HN           21 ASN  HD2+        5.50    (#    816:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 816, nxpk= 10, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 327, 328,
 &end
#
#   68 PHE  HN           66 GLN  HN          5.50    (#    817:10  Unique    4.56, 4.63 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1066,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HN           66 GLN  HN          5.50    (#    818:10  Unique    4.53, 4.57 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1059,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HE2+         66 GLN  HN          5.50    (#    819:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1055,
 &end
#
#   36 LYS  HN           35 PHE  HN          4.50    (#    820:10  Unique    4.53, 4.54 A)
 &rst
  ixpk= 820, nxpk= 10, iat= 559, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 MET  HN           21 ASN  HN          4.50    (#    821:10  Unique    3.25, 3.43 A)
 &rst
  ixpk= 821, nxpk= 10, iat= 364, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HN           57 GLN  HN          4.50    (#    822:10  Unique    2.56, 2.61 A)
 &rst
  ixpk= 822, nxpk= 10, iat= 931, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ASN  HN           57 GLN  HN          5.50    (#    823:10  Unique    3.88, 3.99 A)
 &rst
  ixpk= 823, nxpk= 10, iat= 942, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           57 GLN  HN          4.50    (#    824:10  Unique    3.60, 3.79 A)
 &rst
  ixpk= 824, nxpk= 10, iat= 866, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HN           60 ALA  HN          5.50    (#    825:10  Unique    4.23, 4.31 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 931, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HN           60 ALA  HN          3.50    (#    826:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 826, nxpk= 10, iat= 942, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HN           64 ALA  HN          2.80    (#    827:10  Unique    2.75, 2.79 A)
 &rst
  ixpk= 827, nxpk= 10, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 MET  HN           25 LEU  HN          3.50    (#    828:10  Unique    2.52, 2.60 A)
 &rst
  ixpk= 828, nxpk= 10, iat= 364, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           25 LEU  HN          5.50    (#    829:10  Unique    4.18, 4.28 A)
 &rst
  ixpk= 829, nxpk= 10, iat= 411, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 GLN  HN            5 GLN  HE2+        5.50    (#    830:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:831      0 AMB  10-1:831    5.50    (#    831:10  Double Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 347,  14, 213,
 igr2= 327, 328,  26,  27,  26,  27,
 &end
#
#   30 ASN  HN           30 ASN  HD2-        5.50    (#    832:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 832, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 476, 477,
 &end
#
#   50 VAL  MGX          11 LEU  HN          5.50    (#    833:10  Unique    4.38, 5.47 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    8 ASN  HD2+          9 GLN  HN          5.50    (#    835:10  Unique    3.65, 4.55 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#   55 GLU  HG-           9 GLN  HN          3.50    (#    836:10  Unique    2.20, 2.98 A)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   49 PHE  HD           12 PHE  HN          5.50    (#    837:10  Unique    4.26, 6.33 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#    0 AMB  10-2:838     12 PHE  HN          5.50    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,1276,1284,
 &end
#
#   11 LEU  HN           12 PHE  HN          5.50    (#    839:10  Unique    4.35, 4.43 A)
 &rst
  ixpk= 839, nxpk= 10, iat= 155, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  HA           12 PHE  HN          5.50    (#    840:10  Unique    3.61, 3.98 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1290, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:841     12 PHE  HN          5.50    (#    841:10  Single Ambig)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 142, 143, 144,1245,1246,
 &end
#
#    0 AMB  10-2:842     12 PHE  HN          5.50    (#    842:10  Single Ambig)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 805, 198, 199, 201,
 &end
#
#   21 ASN  HD2+         22 GLU  HN          5.50    (#    843:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   21 ASN  HN           22 GLU  HN          5.50    (#    844:10  Unique    4.29, 4.31 A)
 &rst
  ixpk= 844, nxpk= 10, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         22 GLU  HN          5.50    (#    845:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#    0 AMB  10-2:846     22 GLU  HN          5.50    (#    846:10  Single Ambig)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 775, 776, 777,
 &end
#
#   49 PHE  HD           39 ARG  HN          7.00    (#    847:10  Unique    4.87, 6.04 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 789, 797,
 &end
#
#   45 HIS  HN           46 ASP  HN          4.50    (#    848:10  Unique    1.84, 2.59 A)
 &rst
  ixpk= 848, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HG1-         46 ASP  HN          5.50    (#    851:10  Unique    3.54, 5.55 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 762, 763,
 &end
#
#    0 AMB  10-2:852     46 ASP  HN          5.50    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MD1          46 ASP  HN          4.50    (#    853:10  Unique    3.56, 4.86 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   12 PHE  HB-          79 THR  HN          5.50    (#    854:10  Unique    3.46, 4.46 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB+          79 THR  HN          5.50    (#    855:10  Unique    3.46, 4.46 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:856     79 THR  HN          5.50    (#    856:10  Single Ambig)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,  21,  22,
 &end
#
#    0 AMB  10-2:857     51 GLU  HN          5.50    (#    857:10  Single Ambig)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   36 LYS  HB+          51 GLU  HN          4.50    (#    858:10  Unique    4.14, 5.12 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:859     51 GLU  HN          4.50    (#    859:10  Single Ambig)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 563, 564,
 &end
#
#    0 AMB  10-2:860     51 GLU  HN          4.50    (#    860:10  Single Ambig)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 602, 603, 604, 606, 607, 608, 142, 143, 144, 566,
       567,
 &end
#
#   50 VAL  HB           51 GLU  HN          4.50    (#    861:10  Unique    3.86, 3.92 A)
 &rst
  ixpk= 861, nxpk= 10, iat= 805, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HG+          51 GLU  HN          4.50    (#    862:10  Unique    4.32, 4.55 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:863     51 GLU  HN          4.50    (#    863:10  Single Ambig)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 600, 824, 825,
 &end
#
#   34 GLY  HA-          53 THR  HN          3.50    (#    864:10  Unique    3.42, 3.78 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 535,
 &end
#
#   34 GLY  HA+          53 THR  HN          5.50    (#    865:10  Unique    3.42, 3.78 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 534, 535,
 &end
#
#    0 AMB  10-2:867     53 THR  HN          5.50    (#    867:10  Single Ambig)
 &rst
  ixpk= 867, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 921, 922, 921, 922,
 &end
#
#   50 VAL  MGY          50 VAL  HN          4.50    (#    868:10  Unique    3.00, 4.27 A)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  HN          5.50    (#    870:10  Unique    5.00, 6.84 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   11 LEU  HB-          50 VAL  HN          4.50    (#    871:10  Unique    3.10, 3.85 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   11 LEU  HB+          50 VAL  HN          3.50    (#    872:10  Unique    3.10, 3.85 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 159, 160,
 &end
#
#   49 PHE  HB-          50 VAL  HN          4.50    (#    873:10  Unique    2.52, 3.22 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#    8 ASN  HD2-         81 ALA  HN          5.50    (#    874:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#   11 LEU  HA           81 ALA  HN          3.50    (#    875:10  Unique    2.15, 2.47 A)
 &rst
  ixpk= 875, nxpk= 10, iat= 157,1288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASN  HB-          81 ALA  HN          4.50    (#    876:10  Unique    3.20, 4.59 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#   80 PHE  HB-          81 ALA  HN          4.50    (#    877:10  Unique    3.07, 3.80 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   12 PHE  HB-          81 ALA  HN          5.50    (#    878:10  Unique    4.39, 4.71 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:879     81 ALA  HN          4.50    (#    879:10  Single Ambig)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 140,1324,1325,1324,1325,
 &end
#
#    0 AMB  10-2:881     81 ALA  HN          4.50    (#    881:10  Single Ambig)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 159, 160,1260,1261,1262,1305,1306,
 &end
#
#   10 ILE  MG2          81 ALA  HN          4.50    (#    882:10  Unique    4.10, 5.24 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   11 LEU  MDX          81 ALA  HN          5.50    (#    883:10  Unique    3.08, 5.58 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   39 ARG  HB-          49 PHE  HN          3.50    (#    884:10  Unique    3.22, 4.18 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   14 THR  HN           13 LEU  HN          5.50    (#    885:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 885, nxpk= 10, iat= 213, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:886     13 LEU  HN          5.50    (#    886:10  Single Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 184, 188, 789, 797,
 &end
#
#   12 PHE  HZ           13 LEU  HN          5.50    (#    887:10  Unique    5.34, 5.46 A)
 &rst
  ixpk= 887, nxpk= 10, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:888     13 LEU  HN          4.50    (#    888:10  Single Ambig)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 178, 179, 785, 786,
 &end
#
#   12 PHE  HB-          13 LEU  HN          4.50    (#    889:10  Unique    4.08, 4.18 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   48 ALA  MB           13 LEU  HN          4.50    (#    890:10  Unique    3.81, 4.84 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#   14 THR  MG2          13 LEU  HN          4.50    (#    891:10  Unique    3.71, 4.74 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:892     13 LEU  HN          4.50    (#    892:10  Single Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 &end
#
#   10 ILE  MG2          13 LEU  HN          7.00    (#    893:10  Unique    6.72, 7.91 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 142, 143, 144,
 &end
#
#    0 AMB  10-2:894     13 LEU  HN          3.50    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 207, 208, 209, 250, 251, 252, 254,
       255, 256,
 &end
#
#   42 PRO  HG-          43 ASN  HN          4.50    (#    895:10  Unique    4.01, 4.95 A)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
#    0 AMB  10-2:896     43 ASN  HN          4.50    (#    896:10  Single Ambig)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   17 PRO  HB-          19 GLU  HN          4.50    (#    897:10  Unique    2.30, 3.32 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   45 HIS  HB-          19 GLU  HN          5.50    (#    898:10  Unique    4.99, 5.78 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  10-2:900     40 LEU  HN          4.50    (#    900:10  Single Ambig)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 339, 340, 339, 340,
 &end
#
#    0 AMB  10-2:901     52 PHE  HN          4.50    (#    901:10  Single Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#    0 AMB  10-2:902     52 PHE  HN          5.50    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 566, 567, 142, 143, 144,
 &end
#
#   51 GLU  HG-          52 PHE  HN          4.50    (#    903:10  Unique    2.44, 2.73 A)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:904     52 PHE  HN          3.50    (#    904:10  Single Ambig)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 821, 822, 821, 822,
 &end
#
#    5 GLN  HG-          83 LYS  HN          7.00    (#    905:10  Unique    3.95, 5.59 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  67,  68,
 &end
#
#    0 AMB  10-2:906     83 LYS  HN          5.50    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1333,1334,1333,1334,1311,1312,1311,1312,
 &end
#
#    0 AMB  10-2:907     52 PHE  HN          4.50    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 121, 935, 936, 854,
 &end
#
#   22 GLU  HN           23 MET  HN          3.50    (#    908:10  Unique    2.71, 2.78 A)
 &rst
  ixpk= 908, nxpk= 10, iat= 332, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           23 MET  HN          5.50    (#    909:10  Unique    4.18, 4.34 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 381, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         23 MET  HN          5.50    (#    910:10  Unique    3.14, 4.05 A)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   21 ASN  HN           23 MET  HN          5.50    (#    911:10  Unique    4.71, 4.83 A)
 &rst
  ixpk= 911, nxpk= 10, iat= 318, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HA           23 MET  HN          5.50    (#    912:10  Unique    5.18, 5.31 A)
 &rst
  ixpk= 912, nxpk= 10, iat= 366, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HB+          23 MET  HN          5.50    (#    913:10  Unique    3.20, 4.01 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   24 MET  HG+          23 MET  HN          5.50    (#    914:10  Unique    4.23, 5.14 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   21 ASN  HB-          23 MET  HN          5.50    (#    915:10  Unique    3.20, 4.01 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   20 THR  MG2          23 MET  HN          7.00    (#    916:10  Unique    6.00, 6.84 A)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 310, 311, 312,
 &end
#
#   40 LEU  MDY          23 MET  HN          5.50    (#    917:10  Unique    4.82, 6.37 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:918     23 MET  HN          5.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 602, 603, 604, 606,
       607, 608,
 &end
#
#    1 ALA  MB            2 GLN  HN          5.50    (#    919:10  Unique    2.07, 3.24 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  10,
 &end
#
#    2 GLN  HG+           2 GLN  HN          5.50    (#    920:10  Unique    2.14, 3.41 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  21,  22,
 &end
#
#    2 GLN  HB-           2 GLN  HN          5.50    (#    921:10  Unique    2.33, 3.25 A)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    2 GLN  HB+           2 GLN  HN          5.50    (#    922:10  Unique    2.33, 3.25 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    2 GLN  HA            2 GLN  HN          5.50    (#    923:10  Unique    2.83, 2.90 A)
 &rst
  ixpk= 923, nxpk= 10, iat=  16,  14, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HA           67 GLY  HN          5.50    (#    924:10  Unique    3.17, 3.27 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1215,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HG+          67 GLY  HN          4.50    (#    925:10  Unique    4.31, 5.15 A)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   66 GLN  HG+          67 GLY  HN          4.50    (#    926:10  Unique    3.34, 4.80 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   78 ILE  HG1-         67 GLY  HN          5.50    (#    927:10  Unique    3.66, 4.95 A)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1245,1246,
 &end
#
#   78 ILE  MD1          67 GLY  HN          4.50    (#    928:10  Unique    4.53, 5.44 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1248,1249,1250,
 &end
#
#    0 AMB  10-2:929     67 GLY  HN          5.50    (#    929:10  Single Ambig)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,1027,1028,1027,1028,
 &end
#
#   25 LEU  HN           24 MET  HN          3.50    (#    930:10  Unique    2.52, 2.60 A)
 &rst
  ixpk= 930, nxpk= 10, iat= 381, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           24 MET  HN          4.50    (#    931:10  Unique    3.25, 3.43 A)
 &rst
  ixpk= 931, nxpk= 10, iat= 318, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASN  HD2-         24 MET  HN          5.50    (#    932:10  Unique    3.75, 5.11 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   69 LYS  HN           68 PHE  HN          4.50    (#    936:10  Unique    4.49, 4.51 A)
 &rst
  ixpk= 936, nxpk= 10, iat=1086,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HD           68 PHE  HN          4.50    (#    937:10  Unique    4.57, 4.71 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   76 MET  HG+          68 PHE  HN          4.50    (#    938:10  Unique    4.71, 5.20 A)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   76 MET  HB+          68 PHE  HN          4.50    (#    939:10  Unique    2.60, 3.36 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   70 ILE  HG1-         68 PHE  HN          5.50    (#    940:10  Unique    5.35, 6.04 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1118,1119,
 &end
#
#   75 ALA  MB           68 PHE  HN          5.50    (#    941:10  Unique    4.16, 5.32 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1190,1191,1192,
 &end
#
#   78 ILE  MD1          68 PHE  HN          5.50    (#    942:10  Unique    4.55, 5.61 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1248,1249,1250,
 &end
#
#   35 PHE  HD           30 ASN  HN          5.50    (#    946:10  Unique    3.90, 5.01 A)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 547, 555,
 &end
#
#   32 PHE  HN           30 ASN  HN          4.50    (#    947:10  Unique    4.51, 4.52 A)
 &rst
  ixpk= 947, nxpk= 10, iat= 498, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HN           30 ASN  HN          3.50    (#    948:10  Unique    2.64, 2.69 A)
 &rst
  ixpk= 948, nxpk= 10, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 PHE  HD           30 ASN  HN          5.50    (#    949:10  Unique    4.70, 5.37 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#   32 PHE  HD           30 ASN  HN          7.00    (#    950:10  Unique    5.15, 6.80 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 506, 514,
 &end
#
#   28 LEU  HN           30 ASN  HN          4.50    (#    951:10  Unique    3.81, 3.91 A)
 &rst
  ixpk= 951, nxpk= 10, iat= 428, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ASN  HN          3.50    (#    952:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 952, nxpk= 10, iat= 481, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HD2+         30 ASN  HN          5.50    (#    953:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 476, 477,
 &end
#
#    0 AMB  10-2:954     30 ASN  HN          5.50    (#    954:10  Single Ambig)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477, 549, 553,
 &end
#
#   27 MET  HN           30 ASN  HN          5.50    (#    955:10  Unique    4.64, 4.71 A)
 &rst
  ixpk= 955, nxpk= 10, iat= 411, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HB+          30 ASN  HN          5.50    (#    957:10  Unique    3.08, 3.67 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 452,
 &end
#
#   29 PHE  HB-          30 ASN  HN          3.50    (#    958:10  Unique    3.08, 3.67 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 452,
 &end
#
#   28 LEU  HB-          30 ASN  HN          5.50    (#    959:10  Unique    4.74, 5.06 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 432, 433,
 &end
#
#    0 AMB  10-2:960     30 ASN  HN          5.50    (#    960:10  Single Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 432, 433, 602, 603, 604, 606, 607, 608,
 &end
#
#   59 ASN  HN           58 SER  HN          3.50    (#    961:10  Unique    2.68, 2.77 A)
 &rst
  ixpk= 961, nxpk= 10, iat= 942, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HN           58 SER  HN          4.50    (#    962:10  Unique    4.11, 4.24 A)
 &rst
  ixpk= 962, nxpk= 10, iat= 895, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HN           58 SER  HN          4.50    (#    963:10  Unique    3.88, 3.97 A)
 &rst
  ixpk= 963, nxpk= 10, iat= 866, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLN  HN           58 SER  HN          3.50    (#    964:10  Unique    2.56, 2.61 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:965     58 SER  HN          4.50    (#    965:10  Single Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 956, 926, 927,
 &end
#
#   58 SER  HB-          58 SER  HN          4.50    (#    967:10  Unique    2.69, 3.16 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 935, 936,
 &end
#
#    0 AMB  10-2:968     58 SER  HN          4.50    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:969     58 SER  HN          4.50    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 946, 947, 946, 947,
 &end
#
#   57 GLN  HB-          58 SER  HN          4.50    (#    970:10  Unique    2.50, 3.26 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:971     58 SER  HN          5.50    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 899, 900, 884, 885, 884, 885, 902,
 &end
#
#   76 MET  HN           75 ALA  HN          5.50    (#    972:10  Unique    4.45, 4.49 A)
 &rst
  ixpk= 972, nxpk= 10, iat=1196,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HD2+         75 ALA  HN          3.50    (#    973:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   74 HIS  HN           75 ALA  HN          4.50    (#    974:10  Unique    3.20, 3.72 A)
 &rst
  ixpk= 974, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HD2-         75 ALA  HN          3.50    (#    975:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   15 ASN  HB-          75 ALA  HN          5.50    (#    977:10  Unique    4.96, 5.62 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  10-2:978     58 SER  HN          5.50    (#    978:10  Single Ambig)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 899, 900, 101,
 &end
#
#    0 AMB  10-2:979     58 SER  HN          5.50    (#    979:10  Single Ambig)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 960, 961, 962,  98,  99,
 &end
#
#   11 LEU  MDY          58 SER  HN          5.50    (#    980:10  Unique    4.92, 6.35 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:981     58 SER  HN          5.50    (#    981:10  Single Ambig)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 164, 165, 166, 168, 169, 170, 904, 905, 906, 908,
       909, 910,
 &end
#
#   46 ASP  HB+          16 LEU  HN          4.50    (#    982:10  Unique    3.19, 4.28 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   15 ASN  HB-          16 LEU  HN          4.50    (#    983:10  Unique    4.22, 4.48 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   46 ASP  HB-          16 LEU  HN          4.50    (#    984:10  Unique    3.19, 4.28 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   16 LEU  HB-          16 LEU  HN          3.50    (#    985:10  Unique    2.58, 3.16 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#    0 AMB  10-2:986      3 THR  HN          5.50    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  26,  27,  72,  73,
 &end
#
#    2 GLN  HG+           3 THR  HN          5.50    (#    987:10  Unique    3.59, 4.54 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  21,  22,
 &end
#
#    3 THR  MG2           3 THR  HN          5.50    (#    988:10  Unique    2.51, 4.21 A)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  37,  38,  39,
 &end
#
#    0 AMB  10-2:989     63 GLU  HN          5.50    (#    989:10  Single Ambig)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1023, 951, 952,
 &end
#
#   64 ALA  HN           63 GLU  HN          3.50    (#    990:10  Unique    2.75, 2.79 A)
 &rst
  ixpk= 990, nxpk= 10, iat=1013, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ALA  HN           63 GLU  HN          5.50    (#    991:10  Unique    4.23, 4.27 A)
 &rst
  ixpk= 991, nxpk= 10, iat= 966, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:992     63 GLU  HN          5.50    (#    992:10  Single Ambig)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 983, 984, 983, 984,
 &end
#
#   78 ILE  HN           77 LYS  HN          5.50    (#    993:10  Unique    4.36, 4.39 A)
 &rst
  ixpk= 993, nxpk= 10, iat=1235,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HN           77 LYS  HN          4.50    (#    994:10  Unique    2.83, 2.91 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 213,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HA           77 LYS  HN          5.50    (#    995:10  Unique    4.52, 4.59 A)
 &rst
  ixpk= 995, nxpk= 10, iat= 196,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HB+          77 LYS  HN          4.50    (#    996:10  Unique    4.08, 4.24 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   76 MET  HB-          77 LYS  HN          4.50    (#    997:10  Unique    4.08, 4.24 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   16 LEU  MDX          77 LYS  HN          4.50    (#    998:10  Unique    3.40, 5.59 A)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   71 THR  HN           70 ILE  HN          3.50    (#   1000:10  Unique    2.33, 2.40 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1127,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HD           70 ILE  HN          5.50    (#   1001:10  Unique    3.42, 5.19 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
#   74 HIS  HB-          70 ILE  HN          5.50    (#   1002:10  Unique    3.90, 4.52 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1173,1174,
 &end
#
#   76 MET  HB-          70 ILE  HN          5.50    (#   1003:10  Unique    3.88, 4.49 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   76 MET  ME           70 ILE  HN          5.50    (#   1004:10  Unique    4.75, 5.77 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#   69 LYS  HD+          70 ILE  HN          4.50    (#   1005:10  Unique    4.20, 4.42 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#   70 ILE  MD1          70 ILE  HN          4.50    (#   1006:10  Unique    3.58, 4.22 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   70 ILE  MG2          70 ILE  HN          4.50    (#   1007:10  Unique    4.41, 4.55 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1114,1115,1116,
 &end
#
#   58 SER  HN           59 ASN  HN          3.50    (#   1010:10  Unique    2.68, 2.77 A)
 &rst
  ixpk= 1010, nxpk= 10, iat= 931, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1011    59 ASN  HN          4.50    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 951, 952, 895,
 &end
#
#    0 AMB  10-2:1012    59 ASN  HN          4.50    (#   1012:10  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 914,1276,1284,
 &end
#
#   60 ALA  HN           59 ASN  HN          3.50    (#   1013:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 1013, nxpk= 10, iat= 956, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ALA  HN           59 ASN  HN          5.50    (#   1015:10  Unique    4.24, 4.29 A)
 &rst
  ixpk= 1015, nxpk= 10, iat= 966, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1016    59 ASN  HN          5.50    (#   1016:10  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1278,1282,1280, 951, 952,
 &end
#
#   58 SER  HA           59 ASN  HN          4.50    (#   1017:10  Unique    3.61, 3.63 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 933, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1018    59 ASN  HN          5.50    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 980, 981, 162,
 &end
#
#    0 AMB  10-2:1019    59 ASN  HN          5.50    (#   1019:10  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 884, 885, 884, 885, 899, 900, 902,
 &end
#
#    0 AMB  10-2:1020    59 ASN  HN          5.50    (#   1020:10  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 921, 922, 921, 922,1005,1006,
 &end
#
#   11 LEU  MDY          59 ASN  HN          5.50    (#   1021:10  Unique    4.39, 5.80 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:1022    59 ASN  HN          4.50    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170, 904, 905, 906, 908,
       909, 910,
 &end
#
#    0 AMB  10-2:1023     0 AMB  10-1:1023   5.50    (#   1023:10  Double Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 250, 251, 252, 254, 255, 256, 844,1278,1282,1280,
       842, 846,
 igr2= 771, 976,
 &end
#
#   61 ALA  HN           62 LYS  HN          3.50    (#   1024:10  Unique    2.70, 2.72 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 966, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1025    62 LYS  HN          4.50    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 956,1042,
 &end
#
#   12 PHE  HD           48 ALA  HN          5.50    (#   1026:10  Unique    3.80, 5.22 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   61 ALA  HA           62 LYS  HN          4.50    (#   1028:10  Unique    3.57, 3.59 A)
 &rst
  ixpk= 1028, nxpk= 10, iat= 968, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 THR  HN           36 LYS  HN          5.50    (#   1029:10  Unique    4.03, 4.25 A)
 &rst
  ixpk= 1029, nxpk= 10, iat= 852, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1030    36 LYS  HN          5.50    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 832, 596,
 &end
#
#   35 PHE  HN           36 LYS  HN          4.50    (#   1031:10  Unique    4.53, 4.54 A)
 &rst
  ixpk= 1031, nxpk= 10, iat= 539, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 PHE  HD           36 LYS  HN          4.50    (#   1032:10  Unique    4.29, 4.70 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#    0 AMB  10-2:1033    36 LYS  HN          5.50    (#   1033:10  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 842, 846, 551, 844,
 &end
#
#   35 PHE  HD           36 LYS  HN          4.50    (#   1034:10  Unique    2.73, 3.92 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#   37 GLU  HN           36 LYS  HN          3.50    (#   1035:10  Unique    2.27, 2.33 A)
 &rst
  ixpk= 1035, nxpk= 10, iat= 581, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HN           27 MET  HN          3.50    (#   1036:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 1036, nxpk= 10, iat= 428, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           27 MET  HN          5.50    (#   1037:10  Unique    4.18, 4.28 A)
 &rst
  ixpk= 1037, nxpk= 10, iat= 381, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HN           27 MET  HN          5.50    (#   1038:10  Unique    4.46, 4.57 A)
 &rst
  ixpk= 1038, nxpk= 10, iat= 447, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1039    27 MET  HN          5.50    (#   1039:10  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 549, 553, 318,
 &end
#
#   28 LEU  HG           27 MET  HN          5.50    (#   1043:10  Unique    4.75, 4.88 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 435, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  HB-          27 MET  HN          5.50    (#   1044:10  Unique    4.88, 5.66 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 432, 433,
 &end
#
#    0 AMB  10-2:1045    34 GLY  HN          4.50    (#   1045:10  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 840, 848, 926, 927,
 &end
#
#   57 GLN  HE2-         34 GLY  HN          5.50    (#   1046:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#   33 PRO  HD+          34 GLY  HN          5.50    (#   1047:10  Unique    3.10, 3.76 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:1048    34 GLY  HN          5.50    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503, 543, 544,
 &end
#
#   33 PRO  HG+          34 GLY  HN          4.50    (#   1050:10  Unique    3.22, 4.33 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   33 PRO  HG-          34 GLY  HN          4.50    (#   1051:10  Unique    3.22, 4.33 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   33 PRO  HB-          34 GLY  HN          4.50    (#   1052:10  Unique    3.28, 4.17 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 525, 526,
 &end
#
#   53 THR  MG2          34 GLY  HN          7.00    (#   1053:10  Unique    6.07, 6.81 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 858, 859, 860,
 &end
#
#    0 AMB  10-2:1054    14 THR  HN          5.50    (#   1054:10  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  26,  27, 236, 237,
 &end
#
#   47 ILE  HA           14 THR  HN          5.50    (#   1055:10  Unique    4.36, 4.49 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 754, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1056    14 THR  HN          5.50    (#   1056:10  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 243, 229,1258, 773,
 &end
#
#   76 MET  HG-          14 THR  HN          5.50    (#   1057:10  Unique    4.02, 4.22 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1203,1204,
 &end
#
#    0 AMB  10-2:1058    14 THR  HN          4.50    (#   1058:10  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1217,1218,1226,1227,
 &end
#
#   14 THR  HA           14 THR  HN          3.50    (#   1059:10  Unique    2.94, 2.95 A)
 &rst
  ixpk= 1059, nxpk= 10, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 GLN  HN           66 GLN  HE2+        5.50    (#   1060:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1061     0 AMB  10-1:1061   4.50    (#   1061:10  Double Ambig)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 989, 990,1046,1047,
 igr2=1054,1055,1054,1055,
 &end
#
#   62 LYS  HE-          66 GLN  HE2+        5.50    (#   1062:10  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1054,1055,
 &end
#
#   66 GLN  HB-          66 GLN  HE2+        5.50    (#   1063:10  Unique    3.30, 4.50 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1046,1047,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG+          66 GLN  HE2+        4.50    (#   1064:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1065     0 AMB  10-1:1065   4.50    (#   1065:10  Double Ambig)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1=1239,1223,1224,1223,1224,1245,1246,
 igr2=1054,1055,1054,1055,1054,1055,1054,1055,
 &end
#
#    0 AMB  10-2:1066     0 AMB  10-1:1066   5.50    (#   1066:10  Double Ambig)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2=1054,1055,1054,1055,
 &end
#
#   78 ILE  MD1          66 GLN  HE2+        5.50    (#   1067:10  Unique    5.01, 6.34 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1248,1249,1250,
 igr2=1054,1055,
 &end
#
#   78 ILE  MG2          66 GLN  HE2+        4.50    (#   1068:10  Unique    4.32, 5.62 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1241,1242,1243,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG-          66 GLN  HE2+        4.50    (#   1069:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#   58 SER  HN           54 THR  HN          5.50    (#   1071:10  Unique    3.88, 3.97 A)
 &rst
  ixpk= 1071, nxpk= 10, iat= 931, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           54 THR  HN          5.50    (#   1072:10  Unique    4.82, 4.99 A)
 &rst
  ixpk= 1072, nxpk= 10, iat= 895, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HN           54 THR  HN          4.50    (#   1073:10  Unique    3.60, 3.79 A)
 &rst
  ixpk= 1073, nxpk= 10, iat= 914, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1074    54 THR  HN          4.50    (#   1074:10  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 926, 927, 840, 848,
 &end
#
#   57 GLN  HB-          54 THR  HN          4.50    (#   1075:10  Unique    2.62, 3.54 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:1076    54 THR  HN          5.50    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 899, 900, 884, 885, 884, 885,
 &end
#
#    0 AMB  10-2:1077    54 THR  HN          5.50    (#   1077:10  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 887, 888, 824, 825,
 &end
#
#   36 LYS  HD+          54 THR  HN          5.50    (#   1078:10  Unique    5.35, 6.14 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   34 GLY  HA+          54 THR  HN          5.50    (#   1079:10  Unique    3.99, 4.99 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 534, 535,
 &end
#
#   66 GLN  HN           66 GLN  HE2-        5.50    (#   1080:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   77 LYS  HA           66 GLN  HE2-        5.50    (#   1081:10  Unique    3.05, 4.68 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   66 GLN  HA           66 GLN  HE2-        5.50    (#   1082:10  Unique    4.35, 4.79 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1083    66 GLN  HE2-        3.50    (#   1083:10  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 989, 990,1046,1047,
 igr2=1054,1055,
 &end
#
#   62 LYS  HE-          66 GLN  HE2-        5.50    (#   1084:10  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1054,1055,
 &end
#
#   66 GLN  HB-          66 GLN  HE2-        4.50    (#   1085:10  Unique    3.30, 4.50 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1046,1047,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1086    66 GLN  HE2-        5.50    (#   1086:10  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2=1054,1055,
 &end
#
#   78 ILE  MD1          66 GLN  HE2-        4.50    (#   1087:10  Unique    5.01, 6.34 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1054,1055,
 &end
#
#   76 MET  HN           71 THR  HN          5.50    (#   1088:10  Unique    5.15, 5.24 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=1196,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA  HN           71 THR  HN          7.00    (#   1089:10  Unique    5.19, 5.39 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1186,1127, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   76 MET  ME           71 THR  HN          7.00    (#   1090:10  Unique    6.79, 7.65 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#   28 LEU  MDY          31 GLN  HE2+        5.50    (#   1091:10  Unique    3.32, 5.32 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 493, 494,
 &end
#
#   65 LEU  MDX          31 GLN  HE2+        5.50    (#   1092:10  Unique    2.19, 3.97 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 493, 494,
 &end
#
#   64 ALA  MB           31 GLN  HE2+        5.50    (#   1093:10  Unique    5.22, 6.46 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019,
 igr2= 493, 494,
 &end
#
#    0 AMB  10-2:1095     0 AMB  10-1:1095   5.50    (#   1095:10  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 821, 822, 821, 822,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:1096     0 AMB  10-1:1096   5.50    (#   1096:10  Double Ambig)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 563, 564, 858, 859, 860,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:1097     0 AMB  10-1:1097   5.50    (#   1097:10  Double Ambig)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 569, 570, 566, 567, 872, 873, 874,
 igr2= 131, 132, 131, 132, 131, 132,
 &end
#
#   47 ILE  HN           44 ARG  HE          5.50    (#   1098:10  Unique    3.60, 4.24 A)
 &rst
  ixpk= 1098, nxpk= 10, iat= 752, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HD-          44 ARG  HE          4.50    (#   1099:10  Unique    2.29, 2.80 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#   44 ARG  HD+          44 ARG  HE          4.50    (#   1100:10  Unique    2.29, 2.80 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HE          5.50    (#   1101:10  Unique    1.96, 2.87 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#   44 ARG  HB-          44 ARG  HE          5.50    (#   1102:10  Unique    1.96, 2.87 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:1103    44 ARG  HE          4.50    (#   1103:10  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   47 ILE  MD1          44 ARG  HE          4.50    (#   1104:10  Unique    2.50, 4.02 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   11 LEU  HN           10 ILE  HN          5.50    (#   1105:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 1105, nxpk= 10, iat= 155, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  HN           10 ILE  HN          5.50    (#   1106:10  Unique    3.92, 4.05 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=1288, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           10 ILE  HN          5.50    (#   1107:10  Unique    4.97, 5.04 A)
 &rst
  ixpk= 1107, nxpk= 10, iat= 832, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HD2+         10 ILE  HN          4.50    (#   1108:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
#    8 ASN  HD2-         10 ILE  HN          5.50    (#   1109:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    8 ASN  HB-          10 ILE  HN          5.50    (#   1110:10  Unique    3.02, 3.87 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 109, 110,
 &end
#
#    8 ASN  HB+          10 ILE  HN          4.50    (#   1111:10  Unique    3.02, 3.87 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#   55 GLU  HG+          10 ILE  HN          7.00    (#   1112:10  Unique    4.76, 5.73 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 887, 888,
 &end
#
#    9 GLN  HB-          10 ILE  HN          4.50    (#   1113:10  Unique    4.36, 4.60 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 123, 124,
 &end
#
#    9 GLN  HB+          10 ILE  HN          4.50    (#   1114:10  Unique    4.36, 4.60 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 123, 124,
 &end
#
#   76 MET  HN           69 LYS  HN          5.50    (#   1115:10  Unique    4.64, 4.69 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=1196,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HN           69 LYS  HN          4.50    (#   1116:10  Unique    4.49, 4.51 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=1066,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           69 LYS  HN          4.50    (#   1117:10  Unique    4.19, 4.27 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=1108,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HD           69 LYS  HN          4.50    (#   1118:10  Unique    4.07, 4.35 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   76 MET  ME           69 LYS  HN          7.00    (#   1119:10  Unique    6.59, 7.81 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:1120    69 LYS  HN          5.50    (#   1120:10  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1118,1119,1112,
 &end
#
#   69 LYS  HB+          69 LYS  HN          3.50    (#   1121:10  Unique    2.42, 3.05 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1090,1091,
 &end
#
#   30 ASN  HN           32 PHE  HN          5.50    (#   1123:10  Unique    4.51, 4.52 A)
 &rst
  ixpk= 1123, nxpk= 10, iat= 467, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HZ           32 PHE  HN          7.00    (#   1126:10  Unique    5.64, 5.72 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 510, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   31 GLN  HN           32 PHE  HN          3.50    (#   1128:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 1128, nxpk= 10, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HD+          44 ARG  HN          5.50    (#   1129:10  Unique    3.90, 5.13 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 709, 710,
 &end
#
#   44 ARG  HE           44 ARG  HN          5.50    (#   1130:10  Unique    4.78, 5.43 A)
 &rst
  ixpk= 1130, nxpk= 10, iat= 712, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           44 ARG  HN          5.50    (#   1131:10  Unique    4.66, 5.16 A)
 &rst
  ixpk= 1131, nxpk= 10, iat= 740, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           44 ARG  HN          5.50    (#   1132:10  Unique    4.05, 4.55 A)
 &rst
  ixpk= 1132, nxpk= 10, iat= 655, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           56 LEU  HN          5.50    (#   1133:10  Unique    4.11, 4.24 A)
 &rst
  ixpk= 1133, nxpk= 10, iat= 931, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           56 LEU  HN          5.50    (#   1134:10  Unique    4.82, 4.99 A)
 &rst
  ixpk= 1134, nxpk= 10, iat= 866, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HN           56 LEU  HN          3.50    (#   1135:10  Unique    2.51, 2.59 A)
 &rst
  ixpk= 1135, nxpk= 10, iat= 914, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HG1          56 LEU  HN          5.50    (#   1136:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 1136, nxpk= 10, iat= 876, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA  HN           74 HIS  HN          4.50    (#   1137:10  Unique    3.20, 3.72 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1186,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           74 HIS  HN          5.50    (#   1138:10  Unique    4.37, 4.54 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=1108,1169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 THR  HN           74 HIS  HN          4.50    (#   1139:10  Unique    2.41, 2.61 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=1155,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1140    74 HIS  HN          5.50    (#   1140:10  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1142,1143,1142,1143,
 &end
#
#    0 AMB  10-2:1141    74 HIS  HN          5.50    (#   1141:10  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1112,1148,1149,1145,1146,1145,1146,
 &end
#
#   69 LYS  HD-          74 HIS  HN          5.50    (#   1142:10  Unique    3.04, 4.19 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   56 LEU  HN           57 GLN  HN          3.50    (#   1143:10  Unique    2.51, 2.59 A)
 &rst
  ixpk= 1143, nxpk= 10, iat= 895, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1144    57 GLN  HN          5.50    (#   1144:10  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 926, 927, 840, 848, 956,
 &end
#
#   54 THR  HG1          57 GLN  HN          5.50    (#   1145:10  Unique    3.39, 3.54 A)
 &rst
  ixpk= 1145, nxpk= 10, iat= 876, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HA           57 GLN  HN          5.50    (#   1146:10  Unique    4.60, 4.64 A)
 &rst
  ixpk= 1146, nxpk= 10, iat= 868, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  MDX          57 GLN  HN          5.50    (#   1147:10  Unique    4.67, 5.61 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   35 PHE  HD           35 PHE  HN          4.50    (#   1149:10  Unique    3.72, 4.43 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#    0 AMB  10-2:1152    35 PHE  HN          5.50    (#   1152:10  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 918, 919, 525, 526,
 &end
#
#   20 THR  HG1          20 THR  HN          5.50    (#   1153:10  Unique    1.97, 2.04 A)
 &rst
  ixpk= 1153, nxpk= 10, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HN           20 THR  HN          5.50    (#   1154:10  Unique    4.59, 4.62 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 318, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HB-          20 THR  HN          5.50    (#   1155:10  Unique    3.50, 4.46 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          20 THR  HN          5.50    (#   1156:10  Unique    3.50, 4.46 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   17 PRO  HA           20 THR  HN          5.50    (#   1157:10  Unique    4.85, 4.92 A)
 &rst
  ixpk= 1157, nxpk= 10, iat= 270, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  HA           66 GLN  HN          5.50    (#   1159:10  Unique    4.65, 4.68 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=1015,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1160    66 GLN  HN          4.50    (#   1160:10  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1245,1246,1239,
 &end
#
#   64 ALA  MB           66 GLN  HN          4.50    (#   1161:10  Unique    4.96, 5.55 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1017,1018,1019,
 &end
#
#    0 AMB  10-2:1162    66 GLN  HN          4.50    (#   1162:10  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           66 GLN  HN          5.50    (#   1163:10  Unique    4.86, 4.90 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=1030,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         21 ASN  HN          5.50    (#   1164:10  Unique    4.15, 5.43 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   25 LEU  MDY          21 ASN  HN          5.50    (#   1165:10  Unique    4.65, 5.78 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   21 ASN  HD2+         21 ASN  HN          5.50    (#   1166:10  Unique    4.15, 5.43 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#    0 AMB  10-2:1167    21 ASN  HN          4.50    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 304,
 &end
#
#   26 SER  HN           28 LEU  HN          5.50    (#   1168:10  Unique    4.11, 4.15 A)
 &rst
  ixpk= 1168, nxpk= 10, iat= 400, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           28 LEU  HN          5.50    (#   1169:10  Unique    4.02, 5.94 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#   65 LEU  MDX          28 LEU  HN          5.50    (#   1170:10  Unique    5.93, 7.21 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   59 ASN  HA           61 ALA  HN          5.50    (#   1171:10  Unique    4.40, 4.47 A)
 &rst
  ixpk= 1171, nxpk= 10, iat= 944, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HA           61 ALA  HN          5.50    (#   1172:10  Unique    5.34, 5.36 A)
 &rst
  ixpk= 1172, nxpk= 10, iat= 978, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 HIS  HA           73 THR  HN          5.50    (#   1173:10  Unique    4.99, 5.24 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1171,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HD+          73 THR  HN          5.50    (#   1174:10  Unique    2.81, 3.61 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1142,1143,
 &end
#
#    0 AMB  10-2:1175    73 THR  HN          5.50    (#   1175:10  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1148,1149,1145,1146,1145,1146,
 &end
#
#   74 HIS  HN           73 THR  HN          3.50    (#   1176:10  Unique    2.41, 2.61 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=1169,1155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           25 LEU  HN          4.50    (#   1177:10  Unique    3.78, 3.92 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 318, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1178    25 LEU  HN          5.50    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 428, 375, 376, 377, 250, 251, 252, 254, 255, 256,
      
 &end
#
#   24 MET  HG+          25 LEU  HN          5.50    (#   1179:10  Unique    3.96, 4.48 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   34 GLY  HN           57 GLN  HE2+        5.50    (#   1180:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   54 THR  HN           57 GLN  HE2+        5.50    (#   1181:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1181, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1182     0 AMB  10-1:1182   5.50    (#   1182:10  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 519, 520, 916,
 igr2= 926, 927, 926, 927,
 &end
#
#   32 PHE  HB+          57 GLN  HE2+        5.50    (#   1183:10  Unique    5.42, 6.99 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503,
 igr2= 926, 927,
 &end
#
#   33 PRO  HB-          57 GLN  HE2+        5.50    (#   1184:10  Unique    4.17, 6.06 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 926, 927,
 &end
#
#   54 THR  MG2          57 GLN  HE2+        4.50    (#   1185:10  Unique    3.89, 5.28 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 873, 874,
 igr2= 926, 927,
 &end
#
#   53 THR  MG2          57 GLN  HE2+        5.50    (#   1186:10  Unique    2.63, 3.92 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 858, 859, 860,
 igr2= 926, 927,
 &end
#
#   60 ALA  HN           59 ASN  HD2-        4.50    (#   1187:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1187, nxpk= 10, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 951, 952,
 &end
#
#   59 ASN  HA           59 ASN  HD2-        5.50    (#   1189:10  Unique    4.30, 4.56 A)
 &rst
  ixpk= 1189, nxpk= 10, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#   56 LEU  HA           59 ASN  HD2-        5.50    (#   1190:10  Unique    3.25, 4.41 A)
 &rst
  ixpk= 1190, nxpk= 10, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#   60 ALA  HA           59 ASN  HD2-        5.50    (#   1191:10  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1191, nxpk= 10, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:1192    59 ASN  HD2-        5.50    (#   1192:10  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1002,1003, 980, 981,
 igr2= 951, 952,
 &end
#
#   56 LEU  MDY          59 ASN  HD2-        7.00    (#   1193:10  Unique    3.32, 6.58 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2= 951, 952,
 &end
#
#   63 GLU  HB-          59 ASN  HD2-        5.50    (#   1194:10  Unique    4.03, 5.86 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003,
 igr2= 951, 952,
 &end
#
#   10 ILE  HN            8 ASN  HD2-        5.50    (#   1195:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1195, nxpk= 10, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   81 ALA  HN            8 ASN  HD2-        5.50    (#   1196:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1197     8 ASN  HD2-        5.50    (#   1197:10  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 119, 174,
 igr2= 114, 115,
 &end
#
#    5 GLN  HA            5 GLN  HE2-        5.50    (#   1199:10  Unique    2.29, 3.21 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   34 GLY  HN           57 GLN  HE2-        5.50    (#   1200:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1200, nxpk= 10, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   34 GLY  HA-          57 GLN  HE2-        4.50    (#   1201:10  Unique    2.21, 3.67 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1202    57 GLN  HE2-        5.50    (#   1202:10  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 916, 854,
 igr2= 926, 927,
 &end
#
#   32 PHE  HB+          57 GLN  HE2-        5.50    (#   1203:10  Unique    5.42, 6.99 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1204    31 GLN  HN          3.50    (#   1204:10  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 493, 494, 447,
 &end
#
#   32 PHE  HD           31 GLN  HN          4.50    (#   1205:10  Unique    4.24, 5.24 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 506, 514,
 &end
#
#   29 PHE  HA           31 GLN  HN          5.50    (#   1206:10  Unique    3.19, 3.26 A)
 &rst
  ixpk= 1206, nxpk= 10, iat= 449, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HA            9 GLN  HE2-        5.50    (#   1207:10  Unique    4.12, 4.34 A)
 &rst
  ixpk= 1207, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:1208     9 GLN  HE2-        5.50    (#   1208:10  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 854, 121,
 igr2= 131, 132,
 &end
#
#   22 GLU  HN           21 ASN  HD2-        5.50    (#   1209:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 1209, nxpk= 10, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 327, 328,
 &end
#
#   46 ASP  HA           47 ILE  HN          4.50    (#   1210:10  Unique    3.35, 3.43 A)
 &rst
  ixpk= 1210, nxpk= 10, iat= 742, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HA           15 ASN  HD2-        5.50    (#   1212:10  Unique    4.19, 5.06 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB+          15 ASN  HD2-        5.50    (#   1214:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1215    15 ASN  HD2-        5.50    (#   1215:10  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1226,1227,1223,1224,1223,1224,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1216    15 ASN  HD2-        5.50    (#   1216:10  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2= 236, 237,
 &end
#
#   63 GLU  HN           65 LEU  HN          5.50    (#   1217:10  Unique    4.39, 4.43 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 998,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1219    65 LEU  HN          2.80    (#   1219:10  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1042,1013,
 &end
#
#   39 ARG  HG+          39 ARG  HE          5.50    (#   1221:10  Unique    2.38, 3.26 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
#   39 ARG  HG-          39 ARG  HE          5.50    (#   1222:10  Unique    2.38, 3.26 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
#   63 GLU  HG+          59 ASN  HD2+        5.50    (#   1223:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   63 GLU  HG-          59 ASN  HD2+        5.50    (#   1224:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   30 ASN  HN           29 PHE  HN          3.50    (#   1225:10  Unique    2.64, 2.69 A)
 &rst
  ixpk= 1225, nxpk= 10, iat= 467, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           29 PHE  HN          5.50    (#   1226:10  Unique    4.46, 4.57 A)
 &rst
  ixpk= 1226, nxpk= 10, iat= 411, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           29 PHE  HN          3.50    (#   1227:10  Unique    2.13, 3.60 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 455, 463,
 &end
#
#   28 LEU  HN           29 PHE  HN          2.80    (#   1228:10  Unique    2.67, 2.76 A)
 &rst
  ixpk= 1228, nxpk= 10, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ASN  HN           30 ASN  HD2+        5.50    (#   1229:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 1229, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:1230    37 GLU  HN          7.00    (#   1230:10  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 842, 846, 844,
 &end
#
#    0 AMB  10-2:1232     8 ASN  HN          5.50    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1288,1268,
 &end
#
#    9 GLN  HN            8 ASN  HN          5.50    (#   1233:10  Unique    4.27, 4.33 A)
 &rst
  ixpk= 1233, nxpk= 10, iat= 119, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN            8 ASN  HN          7.00    (#   1234:10  Unique    6.50, 6.73 A)
 &rst
  ixpk= 1234, nxpk= 10, iat= 895, 105, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   58 SER  HG            8 ASN  HN          5.50    (#   1235:10  Unique    3.13, 3.45 A)
 &rst
  ixpk= 1235, nxpk= 10, iat= 938, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HA            8 ASN  HN          4.50    (#   1236:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 1236, nxpk= 10, iat= 107, 105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HB-           8 ASN  HN          5.50    (#   1237:10  Unique    5.29, 5.96 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  64,  65,
 &end
#
#   11 LEU  MDY           8 ASN  HN          5.50    (#   1238:10  Unique    4.03, 6.09 A)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   80 PHE  HB-           8 ASN  HN          5.50    (#   1239:10  Unique    3.47, 4.28 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#    7 PRO  HG+           8 ASN  HN          5.50    (#   1240:10  Unique    4.78, 5.24 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  95,  96,
 &end
#
#   65 LEU  MDY          68 PHE  HN          5.50    (#   1241:10  Unique    5.19, 6.52 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HE           70 ILE  HN          5.50    (#   1242:10  Unique    4.53, 6.05 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
#   47 ILE  HB           13 LEU  HN          5.50    (#   1243:10  Unique    4.11, 4.30 A)
 &rst
  ixpk= 1243, nxpk= 10, iat= 756, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  MGX          13 LEU  HN          5.50    (#   1245:10  Unique    4.35, 7.12 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   51 GLU  HG-          36 LYS  HN          4.50    (#   1247:10  Unique    4.52, 5.33 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:1248    36 LYS  HN          4.50    (#   1248:10  Single Ambig)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 821, 822, 821, 822, 588, 589,
 &end
#
#   36 LYS  HD+          36 LYS  HN          5.50    (#   1249:10  Unique    3.97, 5.13 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#    0 AMB  10-2:1250    51 GLU  HN          5.50    (#   1250:10  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 840, 848, 625,
 &end
#
#    0 AMB  10-2:1251    51 GLU  HN          5.50    (#   1251:10  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 846, 844,
 &end
#
#    0 AMB  10-2:1253    51 GLU  HN          5.50    (#   1253:10  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 583, 561, 935, 936,
 &end
#
#   37 GLU  HB+          51 GLU  HN          4.50    (#   1254:10  Unique    3.53, 4.34 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#   67 GLY  HN           76 MET  HN          5.50    (#   1255:10  Unique    4.32, 4.38 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=1059,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HA+          76 MET  HN          5.50    (#   1257:10  Unique    4.17, 4.92 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1061,1062,
 &end
#
#   68 PHE  HA           76 MET  HN          5.50    (#   1258:10  Unique    4.58, 4.62 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=1068,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1259    76 MET  HN          5.50    (#   1259:10  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1044,
 &end
#
#   15 ASN  HB+          76 MET  HN          5.50    (#   1260:10  Unique    5.48, 6.43 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   68 PHE  HB-          76 MET  HN          5.50    (#   1261:10  Unique    3.52, 4.32 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:1262    76 MET  HN          5.50    (#   1262:10  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1245,1246,
 &end
#
#   16 LEU  MDX          76 MET  HN          5.50    (#   1264:10  Unique    5.02, 7.37 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   75 ALA  HA           75 ALA  HN          3.50    (#   1267:10  Unique    2.90, 2.92 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=1188,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 HIS  HA           75 ALA  HN          2.80    (#   1268:10  Unique    2.13, 2.20 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=1171,1186, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 ASN  HB+          75 ALA  HN          5.50    (#   1269:10  Unique    4.96, 5.62 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   74 HIS  HB+          75 ALA  HN          4.50    (#   1270:10  Unique    3.83, 4.25 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:1271    75 ALA  HN          4.50    (#   1271:10  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1173,1174,
 &end
#
#   69 LYS  HD+          75 ALA  HN          5.50    (#   1272:10  Unique    3.53, 3.94 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   69 LYS  HD-          75 ALA  HN          4.50    (#   1273:10  Unique    3.53, 3.94 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#   75 ALA  MB           75 ALA  HN          2.80    (#   1274:10  Unique    2.40, 2.91 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  10-2:1275    77 LYS  HN          5.50    (#   1275:10  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 243, 229,
 &end
#
#    0 AMB  10-2:1276    77 LYS  HN          3.50    (#   1276:10  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:1277    77 LYS  HN          5.50    (#   1277:10  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1245,1246,1121,1122,1123,
 &end
#
#   13 LEU  MDX          77 LYS  HN          5.50    (#   1278:10  Unique    5.56, 6.59 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  MG2          77 LYS  HN          5.50    (#   1279:10  Unique    5.82, 6.38 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#   15 ASN  HN           77 LYS  HN          5.50    (#   1280:10  Unique    4.94, 5.01 A)
 &rst
  ixpk= 1280, nxpk= 10, iat= 227,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HA           73 THR  HN          5.50    (#   1282:10  Unique    2.21, 3.48 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HB+          73 THR  HN          5.50    (#   1283:10  Unique    2.65, 3.69 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1148,1149,
 &end
#
#    9 GLN  HE2+          9 GLN  HN          7.00    (#   1284:10  Unique    5.21, 5.60 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 131, 132,
 &end
#
#    8 ASN  HD2-          9 GLN  HN          5.50    (#   1285:10  Unique    3.65, 4.55 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    0 AMB  10-2:1286     9 GLN  HN          7.00    (#   1286:10  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1327,1328,1327,1328,  98,  99,1292,1293,1294,
 &end
#
#   54 THR  HN           52 PHE  HN          5.50    (#   1288:10  Unique    5.25, 5.33 A)
 &rst
  ixpk= 1288, nxpk= 10, iat= 866, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           52 PHE  HN          5.50    (#   1289:10  Unique    5.03, 5.20 A)
 &rst
  ixpk= 1289, nxpk= 10, iat= 155, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HD2+         83 LYS  HN          5.50    (#   1290:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    8 ASN  HD2-         83 LYS  HN          5.50    (#   1291:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1291, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    5 GLN  HB+          83 LYS  HN          7.00    (#   1292:10  Unique    5.38, 6.31 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  64,  65,
 &end
#
#    0 AMB  10-2:1293    83 LYS  HN          5.50    (#   1293:10  Single Ambig)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 149, 150, 151, 146, 147,
 &end
#
#   82 LYS  HG+          83 LYS  HN          4.50    (#   1294:10  Unique    3.94, 4.93 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1305,1306,
 &end
#
#   12 PHE  HN           11 LEU  HN          5.50    (#   1295:10  Unique    4.35, 4.43 A)
 &rst
  ixpk= 1295, nxpk= 10, iat= 174, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HD           11 LEU  HN          5.50    (#   1296:10  Unique    4.07, 6.18 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#   48 ALA  HA           39 ARG  HN          5.50    (#   1298:10  Unique    4.75, 5.01 A)
 &rst
  ixpk= 1298, nxpk= 10, iat= 773, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HB-          78 ILE  HN          5.50    (#   1300:10  Unique    4.47, 5.33 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#   10 ILE  HN           81 ALA  HN          5.50    (#   1302:10  Unique    3.92, 4.05 A)
 &rst
  ixpk= 1302, nxpk= 10, iat= 136,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HD           81 ALA  HN          5.50    (#   1303:10  Unique    5.14, 7.53 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#    0 AMB  10-2:1305    81 ALA  HN          5.50    (#   1305:10  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1258,  47,
 &end
#
#   11 LEU  HG           81 ALA  HN          5.50    (#   1306:10  Unique    4.61, 5.00 A)
 &rst
  ixpk= 1306, nxpk= 10, iat= 162,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HN           41 VAL  HN          5.50    (#   1308:10  Unique    4.24, 5.17 A)
 &rst
  ixpk= 1308, nxpk= 10, iat= 781, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 ALA  HA           41 VAL  HN          4.50    (#   1309:10  Unique    2.50, 3.28 A)
 &rst
  ixpk= 1309, nxpk= 10, iat= 773, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HD-          41 VAL  HN          5.50    (#   1310:10  Unique    3.78, 4.78 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   48 ALA  MB           41 VAL  HN          4.50    (#   1311:10  Unique    4.02, 5.05 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#   72 PRO  HA           74 HIS  HN          4.50    (#   1319:10  Unique    3.56, 4.03 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=1151,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD-          74 HIS  HN          5.50    (#   1320:10  Unique    4.76, 5.80 A)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HB-          74 HIS  HN          5.50    (#   1321:10  Unique    3.80, 5.36 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1090,1091,
 &end
#
#    4 GLU  HB+           4 GLU  HN          4.50    (#   1322:10  Unique    2.24, 3.21 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  49,  50,
 &end
#
#    5 GLN  HE2-          5 GLN  HN          5.50    (#   1323:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 1323, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  72,  73,
 &end
#
#   80 PHE  HB+           5 GLN  HN          5.50    (#   1324:10  Unique    2.12, 3.74 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#   80 PHE  HB-           5 GLN  HN          5.50    (#   1325:10  Unique    2.12, 3.74 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#   79 THR  MG2           5 GLN  HN          5.50    (#   1326:10  Unique    3.95, 5.59 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1260,1261,1262,
 &end
#
#    0 AMB  10-2:1327     0 AMB  10-1:1327   5.50    (#   1327:10  Double Ambig)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1288, 781,
 igr2=1298, 636,
 &end
#
#   49 PHE  HD            0 AMB  10-1:1328   5.50    (#   1328:10  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 789, 797,
 igr2=1298, 636,
 &end
#
#   81 ALA  HA           82 LYS  HN          2.80    (#   1329:10  Unique    2.19, 2.36 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   82 LYS  HA           82 LYS  HN          3.50    (#   1330:10  Unique    2.93, 2.97 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD-          40 LEU  HN          5.50    (#   1331:10  Unique    4.40, 6.14 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  10-2:1332    82 LYS  HN          4.50    (#   1332:10  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1311,1312,1311,1312, 178, 179,1333,1334,1333,1334,
      
 &end
#
#    0 AMB  10-2:1333    82 LYS  HN          4.50    (#   1333:10  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68, 178, 179,
 &end
#
#    0 AMB  10-2:1335    40 LEU  HN          2.80    (#   1335:10  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 640, 641, 616, 617,
 &end
#
#   66 GLN  HN           68 PHE  HN          5.50    (#   1343:10  Unique    4.56, 4.63 A)
 &rst
  ixpk= 1343, nxpk= 10, iat=1042,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HA+          68 PHE  HN          3.50    (#   1346:10  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#    0 AMB  10-2:1347    68 PHE  HN          5.50    (#   1347:10  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1027,1028,1027,1028,1118,1119,
 &end
#
#   65 LEU  HN           66 GLN  HN          3.50    (#   1351:10  Unique    2.34, 2.39 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=1023,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HA           66 GLN  HN          5.50    (#   1352:10  Unique    3.47, 3.74 A)
 &rst
  ixpk= 1352, nxpk= 10, iat= 978,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  MDX          66 GLN  HN          5.50    (#   1353:10  Unique    5.30, 6.29 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   59 ASN  HN           56 LEU  HN          5.50    (#   1354:10  Unique    4.53, 4.65 A)
 &rst
  ixpk= 1354, nxpk= 10, iat= 942, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HN           56 LEU  HN          7.00    (#   1355:10  Unique    5.89, 5.95 A)
 &rst
  ixpk= 1355, nxpk= 10, iat= 956, 895, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 GLN  HB-          56 LEU  HN          5.50    (#   1357:10  Unique    4.76, 5.51 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:1358    38 VAL  HN          4.50    (#   1358:10  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 339, 340, 339, 340,
 &end
#
#   38 VAL  HB           38 VAL  HN          4.50    (#   1359:10  Unique    2.59, 3.01 A)
 &rst
  ixpk= 1359, nxpk= 10, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HB+          38 VAL  HN          3.50    (#   1360:10  Unique    2.40, 3.64 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   50 VAL  MGX          38 VAL  HN          5.50    (#   1361:10  Unique    5.00, 6.45 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    9 GLN  HN           55 GLU  HN          5.50    (#   1362:10  Unique    4.52, 4.67 A)
 &rst
  ixpk= 1362, nxpk= 10, iat= 119, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           55 GLU  HN          5.50    (#   1363:10  Unique    4.84, 4.93 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 931, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           55 GLU  HN          5.50    (#   1364:10  Unique    4.31, 4.33 A)
 &rst
  ixpk= 1364, nxpk= 10, iat= 866, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLN  HE2+         55 GLU  HN          5.50    (#   1365:10  Unique    5.62, 5.84 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#   57 GLN  HN           55 GLU  HN          5.50    (#   1366:10  Unique    4.18, 4.24 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 914, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 PRO  HB-          55 GLU  HN          5.50    (#   1368:10  Unique    5.68, 6.23 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98,  99,
 &end
#
#   53 THR  MG2          55 GLU  HN          5.50    (#   1369:10  Unique    5.93, 6.94 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 858, 859, 860,
 &end
#
#   56 LEU  MDX          55 GLU  HN          5.50    (#   1370:10  Unique    4.08, 5.96 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:1371    79 THR  HN          4.50    (#   1371:10  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1288,
 &end
#
#    0 AMB  10-2:1373    79 THR  HN          5.50    (#   1373:10  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 980, 981,1292,1293,1294,
 &end
#
#    0 AMB  10-2:1374    79 THR  HN          5.50    (#   1374:10  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 983, 984, 983, 984,
 &end
#
#   19 GLU  HA           18 GLU  HN          5.50    (#   1378:10  Unique    5.25, 5.30 A)
 &rst
  ixpk= 1378, nxpk= 10, iat= 291, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD-          18 GLU  HN          5.50    (#   1379:10  Unique    5.52, 5.63 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   45 HIS  HB+          18 GLU  HN          5.50    (#   1380:10  Unique    4.79, 5.83 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   24 MET  HB-          21 ASN  HN          3.50    (#   1382:10  Unique    2.21, 3.16 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   20 THR  MG2          21 ASN  HN          3.50    (#   1383:10  Unique    2.21, 2.83 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
#   32 PHE  HD           32 PHE  HN          3.50    (#   1384:10  Unique    3.02, 3.72 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 506, 514,
 &end
#
#   35 PHE  HB-          32 PHE  HN          5.50    (#   1385:10  Unique    3.34, 3.77 A)
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#    0 AMB  10-2:1386    32 PHE  HN          5.50    (#   1386:10  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 471, 472, 522, 523,
 &end
#
#   31 GLN  HB-          32 PHE  HN          4.50    (#   1387:10  Unique    3.38, 3.92 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 485, 486,
 &end
#
#   79 THR  HN           80 PHE  HN          5.50    (#   1388:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=1254,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HN           80 PHE  HN          5.50    (#   1389:10  Unique    4.76, 4.87 A)
 &rst
  ixpk= 1389, nxpk= 10, iat= 174,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1394    80 PHE  HN          5.50    (#   1394:10  Single Ambig)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  67,  68, 178, 179,
 &end
#
#   62 LYS  HE+          80 PHE  HN          5.50    (#   1395:10  Unique    3.36, 5.02 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   62 LYS  HE-          80 PHE  HN          4.50    (#   1396:10  Unique    3.36, 5.02 A)
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#    5 GLN  HB-          80 PHE  HN          4.50    (#   1397:10  Unique    4.21, 5.32 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  64,  65,
 &end
#
#    0 AMB  10-2:1398    80 PHE  HN          7.00    (#   1398:10  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 980, 981,1292,1293,1294,
 &end
#
#   58 SER  HN           61 ALA  HN          5.50    (#   1399:10  Unique    4.72, 4.76 A)
 &rst
  ixpk= 1399, nxpk= 10, iat= 931, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1400    61 ALA  HN          5.50    (#   1400:10  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,1023, 895,
 &end
#
#    0 AMB  10-2:1402    61 ALA  HN          5.50    (#   1402:10  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006, 921, 922, 921, 922,
 &end
#
#   63 GLU  HG-          61 ALA  HN          5.50    (#   1403:10  Unique    5.05, 6.28 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:1404    61 ALA  HN          5.50    (#   1404:10  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947, 946, 947,
 &end
#
#   45 HIS  HB-          45 HIS  HN          5.50    (#   1411:10  Unique    2.30, 3.35 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          45 HIS  HN          5.50    (#   1412:10  Unique    2.30, 3.35 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   44 ARG  HB-          45 HIS  HN          5.50    (#   1413:10  Unique    2.28, 3.47 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#   40 LEU  HB-          45 HIS  HN          5.50    (#   1414:10  Unique    4.09, 6.17 A)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 640, 641,
 &end
#
#   44 ARG  HN           45 HIS  HN          5.50    (#   1415:10  Unique    1.90, 3.47 A)
 &rst
  ixpk= 1415, nxpk= 10, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1416    57 GLN  HN          5.50    (#   1416:10  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 836, 837,
 &end
#
#   58 SER  HA           57 GLN  HN          5.50    (#   1417:10  Unique    5.19, 5.24 A)
 &rst
  ixpk= 1417, nxpk= 10, iat= 933, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1418    10 ILE  HN          3.50    (#   1418:10  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#    0 AMB  10-2:1419    22 GLU  HN          5.50    (#   1419:10  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 349, 383,
 &end
#
#   20 THR  HA           22 GLU  HN          7.00    (#   1420:10  Unique    6.37, 6.43 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 306, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   22 GLU  HB-          22 GLU  HN          3.50    (#   1421:10  Unique    2.17, 2.41 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#   25 LEU  HG           22 GLU  HN          7.00    (#   1422:10  Unique    5.42, 5.50 A)
 &rst
  ixpk= 1422, nxpk= 10, iat= 388, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 ASN  HD2+         60 ALA  HN          4.50    (#   1423:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1423, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   57 GLN  HN           60 ALA  HN          5.50    (#   1424:10  Unique    4.55, 4.61 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 914, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HD2-         60 ALA  HN          4.50    (#   1425:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   61 ALA  HN           60 ALA  HN          3.50    (#   1426:10  Unique    2.74, 2.77 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 966, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HA           60 ALA  HN          5.50    (#   1427:10  Unique    4.47, 4.57 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HA           60 ALA  HN          5.50    (#   1428:10  Unique    5.38, 5.41 A)
 &rst
  ixpk= 1428, nxpk= 10, iat= 968, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1429    60 ALA  HN          5.50    (#   1429:10  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006, 921, 922, 921, 922,
 &end
#
#   63 GLU  HG-          60 ALA  HN          5.50    (#   1430:10  Unique    4.81, 5.53 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:1431    60 ALA  HN          5.50    (#   1431:10  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,1002,1003,
 &end
#
#    0 AMB  10-2:1432    60 ALA  HN          4.50    (#   1432:10  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 899, 900, 902,
 &end
#
#    0 AMB  10-2:1433    60 ALA  HN          4.50    (#   1433:10  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 970, 971, 972, 986, 987,
 &end
#
#   39 ARG  HN           50 VAL  HN          5.50    (#   1434:10  Unique    4.78, 4.84 A)
 &rst
  ixpk= 1434, nxpk= 10, iat= 612, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  MB           50 VAL  HN          5.50    (#   1437:10  Unique    4.54, 5.76 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#   22 GLU  HN           24 MET  HN          5.50    (#   1438:10  Unique    4.23, 4.30 A)
 &rst
  ixpk= 1438, nxpk= 10, iat= 332, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 MET  HN           24 MET  HN          5.50    (#   1439:10  Unique    4.62, 4.71 A)
 &rst
  ixpk= 1439, nxpk= 10, iat= 411, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1440    24 MET  HN          7.00    (#   1440:10  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 375, 376, 377, 358, 359, 360,
 &end
#
#   21 ASN  HB-          24 MET  HN          5.50    (#   1441:10  Unique    2.81, 3.98 A)
 &rst
  ixpk= 1441, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   25 LEU  MDY          24 MET  HN          5.50    (#   1442:10  Unique    5.07, 6.54 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   23 MET  HB+          24 MET  HN          2.80    (#   1443:10  Unique    2.77, 3.38 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#   25 LEU  HB-          24 MET  HN          5.50    (#   1444:10  Unique    4.68, 5.51 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 385, 386,
 &end
#
#   20 THR  MG2          24 MET  HN          5.50    (#   1445:10  Unique    4.62, 5.27 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  10-2:1446    24 MET  HN          5.50    (#   1446:10  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 602, 603, 604, 606, 607, 608, 432, 433,
 &end
#
#   25 LEU  MDX          24 MET  HN          5.50    (#   1447:10  Unique    5.07, 6.54 A)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           24 MET  HN          5.50    (#   1448:10  Unique    4.40, 4.51 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 388, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN           67 GLY  HN          5.50    (#   1449:10  Unique    4.44, 4.70 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=1235,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HE2+         67 GLY  HN          5.50    (#   1450:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1055,
 &end
#
#    0 AMB  10-2:1451    67 GLY  HN          5.50    (#   1451:10  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1054,1055,1086,
 &end
#
#   66 GLN  HN           67 GLY  HN          5.50    (#   1452:10  Unique    4.53, 4.57 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HB+          67 GLY  HN          5.50    (#   1455:10  Unique    3.37, 4.29 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   78 ILE  HG1+         67 GLY  HN          5.50    (#   1456:10  Unique    3.66, 4.95 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1245,1246,
 &end
#
#   78 ILE  MG2          67 GLY  HN          7.00    (#   1457:10  Unique    6.81, 7.69 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1241,1242,1243,
 &end
#
#   65 LEU  HN           64 ALA  HN          3.50    (#   1458:10  Unique    2.67, 2.70 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=1023,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LEU  HA           64 ALA  HN          5.50    (#   1462:10  Unique    5.31, 5.33 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=1025,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HA           64 ALA  HN          5.50    (#   1463:10  Unique    3.96, 4.09 A)
 &rst
  ixpk= 1463, nxpk= 10, iat= 958,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  MB           64 ALA  HN          2.80    (#   1464:10  Unique    2.38, 2.82 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#   65 LEU  HG           64 ALA  HN          5.50    (#   1465:10  Unique    4.52, 4.53 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=1030,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1466    64 ALA  HN          4.50    (#   1466:10  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 986, 987, 970, 971, 972,
 &end
#
#   65 LEU  MDY          64 ALA  HN          5.50    (#   1467:10  Unique    5.86, 6.69 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:1468     0 AMB  10-1:1468   5.50    (#   1468:10  Double Ambig)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 789, 797, 510,
 igr2= 771, 976,
 &end
#
#   42 PRO  HB+          44 ARG  HN          7.00    (#   1470:10  Unique    4.66, 5.87 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 678, 679,
 &end
#
#   24 MET  HN           27 MET  HN          5.50    (#   1472:10  Unique    4.62, 4.71 A)
 &rst
  ixpk= 1472, nxpk= 10, iat= 364, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HN           27 MET  HN          5.50    (#   1473:10  Unique    4.64, 4.71 A)
 &rst
  ixpk= 1473, nxpk= 10, iat= 467, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  MDX          27 MET  HN          5.50    (#   1476:10  Unique    5.97, 6.95 A)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   29 PHE  HN           26 SER  HN          5.50    (#   1477:10  Unique    4.84, 4.88 A)
 &rst
  ixpk= 1477, nxpk= 10, iat= 447, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           26 SER  HN          5.50    (#   1478:10  Unique    4.57, 6.98 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#    0 AMB  10-2:1479    26 SER  HN          7.00    (#   1479:10  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 549, 553, 318,
 &end
#
#    0 AMB  10-2:1480    26 SER  HN          5.50    (#   1480:10  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 371, 372, 471, 472,
 &end
#
#    0 AMB  10-2:1481    26 SER  HN          4.50    (#   1481:10  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 415, 416, 415, 416, 351, 352, 336, 337,
 &end
#
#   10 ILE  HN            8 ASN  HN          5.50    (#   1482:10  Unique    4.20, 4.34 A)
 &rst
  ixpk= 1482, nxpk= 10, iat= 136, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLU  HN           20 THR  HN          3.50    (#   1483:10  Unique    2.67, 2.79 A)
 &rst
  ixpk= 1483, nxpk= 10, iat= 289, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HA           20 THR  HN          5.50    (#   1484:10  Unique    5.52, 5.54 A)
 &rst
  ixpk= 1484, nxpk= 10, iat= 320, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HA           20 THR  HN          7.00    (#   1486:10  Unique    5.98, 6.13 A)
 &rst
  ixpk= 1486, nxpk= 10, iat= 243, 304, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   20 THR  MG2          20 THR  HN          4.50    (#   1488:10  Unique    4.40, 4.56 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  10-2:1489    20 THR  HN          5.50    (#   1489:10  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256, 645, 646, 647, 649,
       650, 651,
 &end
#
#   61 ALA  HN           58 SER  HN          5.50    (#   1491:10  Unique    4.72, 4.76 A)
 &rst
  ixpk= 1491, nxpk= 10, iat= 966, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HB           58 SER  HN          5.50    (#   1492:10  Unique    4.82, 5.02 A)
 &rst
  ixpk= 1492, nxpk= 10, iat= 870, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HA           58 SER  HN          5.50    (#   1493:10  Unique    5.28, 5.35 A)
 &rst
  ixpk= 1493, nxpk= 10, iat= 944, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  MG2          58 SER  HN          7.00    (#   1494:10  Unique    6.84, 7.09 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 872, 873, 874,
 &end
#
#   61 ALA  MB           58 SER  HN          5.50    (#   1495:10  Unique    5.13, 5.86 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   26 SER  HA           28 LEU  HN          4.50    (#   1497:10  Unique    4.33, 4.47 A)
 &rst
  ixpk= 1497, nxpk= 10, iat= 402, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1498    28 LEU  HN          3.50    (#   1498:10  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 415, 416, 415, 416,
 &end
#
#   35 PHE  HB+          30 ASN  HN          5.50    (#   1500:10  Unique    4.79, 5.29 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#   38 VAL  MGX          30 ASN  HN          5.50    (#   1501:10  Unique    5.91, 7.79 A)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:1504    30 ASN  HN          5.50    (#   1504:10  Single Ambig)
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 &end
#
#    0 AMB  10-2:1505     3 THR  HN          5.50    (#   1505:10  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  45,  14,
 &end
#
#    2 GLN  HB+           3 THR  HN          5.50    (#   1508:10  Unique    2.28, 3.23 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    0 AMB  10-2:1509    16 LEU  HN          5.50    (#   1509:10  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 236, 237,
 &end
#
#   47 ILE  HA           16 LEU  HN          5.50    (#   1510:10  Unique    3.78, 3.85 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 754, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HB+          16 LEU  HN          5.50    (#   1511:10  Unique    4.22, 4.48 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   17 PRO  HD+          16 LEU  HN          5.50    (#   1512:10  Unique    4.95, 5.07 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   14 THR  HN           15 ASN  HN          5.50    (#   1513:10  Unique    4.38, 4.40 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 213, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           15 ASN  HN          5.50    (#   1514:10  Unique    4.09, 4.18 A)
 &rst
  ixpk= 1514, nxpk= 10, iat= 754, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HB+          15 ASN  HN          4.50    (#   1515:10  Unique    3.01, 3.36 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#    0 AMB  10-2:1516     0 AMB  10-1:1516   4.50    (#   1516:10  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 198, 199, 198, 199,
 igr2= 781, 227,
 &end
#
#   26 SER  HA           25 LEU  HN          5.50    (#   1518:10  Unique    5.22, 5.24 A)
 &rst
  ixpk= 1518, nxpk= 10, iat= 402, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           53 THR  HN          5.50    (#   1519:10  Unique    5.50, 5.52 A)
 &rst
  ixpk= 1519, nxpk= 10, iat= 931, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HN           53 THR  HN          5.50    (#   1520:10  Unique    4.85, 4.89 A)
 &rst
  ixpk= 1520, nxpk= 10, iat= 539, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1521    53 THR  HN          5.50    (#   1521:10  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#   57 GLN  HB-          53 THR  HN          5.50    (#   1522:10  Unique    3.78, 4.50 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   36 LYS  HG-          53 THR  HN          4.50    (#   1523:10  Unique    2.51, 3.81 A)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#   36 LYS  HD+          53 THR  HN          5.50    (#   1524:10  Unique    3.32, 4.10 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   18 GLU  HA           19 GLU  HN          3.50    (#   1526:10  Unique    3.37, 3.47 A)
 &rst
  ixpk= 1526, nxpk= 10, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 HIS  HB+          19 GLU  HN          5.50    (#   1527:10  Unique    4.99, 5.78 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   19 GLU  HB+          19 GLU  HN          2.80    (#   1528:10  Unique    2.40, 3.00 A)
 &rst
  ixpk= 1528, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   62 LYS  HA           65 LEU  HN          5.50    (#   1529:10  Unique    3.38, 3.51 A)
 &rst
  ixpk= 1529, nxpk= 10, iat= 978,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HA           65 LEU  HN          5.50    (#   1530:10  Unique    3.96, 4.02 A)
 &rst
  ixpk= 1530, nxpk= 10, iat= 968,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HB+          65 LEU  HN          5.50    (#   1531:10  Unique    4.35, 5.11 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#    0 AMB  10-2:1532    65 LEU  HN          5.50    (#   1532:10  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,1002,1003,
 &end
#
#    0 AMB  10-2:1533    65 LEU  HN          5.50    (#   1533:10  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003, 980, 981,
 &end
#
#   63 GLU  HB-          63 GLU  HN          3.50    (#   1537:10  Unique    2.19, 3.03 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   32 PHE  HA           31 GLN  HN          5.50    (#   1538:10  Unique    5.34, 5.38 A)
 &rst
  ixpk= 1538, nxpk= 10, iat= 500, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HB+          31 GLN  HN          5.50    (#   1539:10  Unique    5.10, 5.75 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 502, 503,
 &end
#
#   35 PHE  HB-          31 GLN  HN          5.50    (#   1540:10  Unique    5.30, 5.61 A)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#   42 PRO  HD+          43 ASN  HN          5.50    (#   1543:10  Unique    3.71, 4.68 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   42 PRO  HD-          43 ASN  HN          5.50    (#   1544:10  Unique    3.71, 4.68 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  10-2:1545    43 ASN  HN          5.50    (#   1545:10  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 706, 707, 706, 707,
 &end
#
#    0 AMB  10-2:1547     0 AMB  10-1:1547   5.50    (#   1547:10  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 703, 704, 678, 679,
 igr2= 694, 695, 694, 695,
 &end
#
#    3 THR  HB            5 GLN  HE2+        5.50    (#   1548:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   43 ASN  HA           43 ASN  HD2-        5.50    (#   1549:10  Unique    2.48, 4.51 A)
 &rst
  ixpk= 1549, nxpk= 10, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    3 THR  HB            5 GLN  HE2-        5.50    (#   1550:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1550, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    4 GLU  HA            5 GLN  HE2-        5.50    (#   1551:10  Unique    4.26, 5.62 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    3 THR  MG2           5 GLN  HE2-        5.50    (#   1552:10  Unique    2.82, 5.46 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  37,  38,  39,
 igr2=  72,  73,
 &end
#
#   30 ASN  HB+          29 PHE  HN          5.50    (#   1554:10  Unique    4.62, 5.05 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   38 VAL  MGX          29 PHE  HN          5.50    (#   1555:10  Unique    4.67, 6.51 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  MDX          29 PHE  HN          4.50    (#   1556:10  Unique    5.16, 6.59 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   50 VAL  MGY          29 PHE  HN          5.50    (#   1557:10  Unique    5.52, 6.62 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   28 LEU  MDY          29 PHE  HN          4.50    (#   1558:10  Unique    4.74, 5.60 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDX          29 PHE  HN          5.50    (#   1559:10  Unique    4.35, 5.97 A)
 &rst
  ixpk= 1559, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    3 THR  HB            5 GLN  HE2+        5.50    (#   1560:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1560, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:1561     0 AMB  10-1:1561   5.50    (#   1561:10  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  78,  79, 672, 673,
 igr2=  72,  73, 694, 695,
 &end
#
#    3 THR  MG2           5 GLN  HE2+        5.50    (#   1563:10  Unique    2.82, 5.46 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  37,  38,  39,
 igr2=  72,  73,
 &end
#
#   16 LEU  HN           46 ASP  HN          5.50    (#   1564:10  Unique    4.85, 5.50 A)
 &rst
  ixpk= 1564, nxpk= 10, iat= 241, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           46 ASP  HN          5.50    (#   1565:10  Unique    4.66, 5.16 A)
 &rst
  ixpk= 1565, nxpk= 10, iat= 699, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           46 ASP  HN          5.50    (#   1566:10  Unique    4.10, 5.09 A)
 &rst
  ixpk= 1566, nxpk= 10, iat= 754, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1567    46 ASP  HN          7.00    (#   1567:10  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 773, 243, 229,
 &end
#
#   16 LEU  HG           46 ASP  HN          7.00    (#   1568:10  Unique    4.43, 5.82 A)
 &rst
  ixpk= 1568, nxpk= 10, iat= 248, 740, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1570     8 ASN  HD2-        4.50    (#   1570:10  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1330,1331,1330,1331,
 igr2= 114, 115,
 &end
#
#   79 THR  HN            2 GLN  HE2+        5.50    (#   1571:10  Unique    3.99, 4.72 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  26,  27,
 &end
#
#   40 LEU  MDY          21 ASN  HD2+        5.50    (#   1572:10  Unique    4.32, 7.36 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 327, 328,
 &end
#
#   14 THR  MG2           2 GLN  HE2+        5.50    (#   1573:10  Unique    2.07, 4.92 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 219, 220, 221,
 igr2=  26,  27,
 &end
#
#   10 ILE  MD1           8 ASN  HD2+        5.50    (#   1574:10  Unique    2.92, 5.14 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 149, 150, 151,
 igr2= 114, 115,
 &end
#
#   10 ILE  MG2           8 ASN  HD2+        5.50    (#   1575:10  Unique    3.91, 5.08 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 142, 143, 144,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1576     0 AMB  10-1:1576   4.50    (#   1576:10  Double Ambig)
 &rst
  ixpk= 1576, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 140,1324,1325,1324,1325,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#   10 ILE  HN            8 ASN  HD2+        5.50    (#   1578:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   83 LYS  HN            8 ASN  HD2+        5.50    (#   1579:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   81 ALA  HN            8 ASN  HD2+        5.50    (#   1580:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1581     0 AMB  10-1:1581   5.50    (#   1581:10  Double Ambig)
 &rst
  ixpk= 1581, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 119, 174,
 igr2= 114, 115, 114, 115,
 &end
#
#   64 ALA  MB           31 GLN  HE2-        5.50    (#   1583:10  Unique    5.22, 6.46 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019,
 igr2= 493, 494,
 &end
#
#   28 LEU  HB+          31 GLN  HE2-        5.50    (#   1584:10  Unique    3.34, 4.53 A)
 &rst
  ixpk= 1584, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 432, 433,
 igr2= 493, 494,
 &end
#
#   28 LEU  HB+          31 GLN  HE2+        5.50    (#   1585:10  Unique    3.34, 4.53 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 432, 433,
 igr2= 493, 494,
 &end
#
#   54 THR  HN            9 GLN  HE2-        5.50    (#   1586:10  Unique    4.54, 5.02 A)
 &rst
  ixpk= 1586, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#   10 ILE  HB            9 GLN  HE2-        7.00    (#   1587:10  Unique    7.18, 7.91 A)
 &rst
  ixpk= 1587, nxpk= 10, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:1589     9 GLN  HE2-        5.50    (#   1589:10  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 569, 570, 566, 567, 872, 873, 874,
 igr2= 131, 132,
 &end
#
#   67 GLY  HN           66 GLN  HE2+        5.50    (#   1590:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1590, nxpk= 10, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   67 GLY  HN           66 GLN  HE2-        5.50    (#   1591:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1591, nxpk= 10, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   66 GLN  HA           66 GLN  HE2+        5.50    (#   1592:10  Unique    4.35, 4.79 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1593     0 AMB  10-1:1593   5.50    (#   1593:10  Double Ambig)
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1188,1088,
 igr2= 236, 237, 236, 237,
 &end
#
#   74 HIS  HB+          15 ASN  HD2+        5.50    (#   1594:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB-          15 ASN  HD2+        5.50    (#   1595:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   77 LYS  HE+          15 ASN  HD2+        5.50    (#   1596:10  Unique    3.57, 6.03 A)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1597     0 AMB  10-1:1597   5.50    (#   1597:10  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2= 236, 237, 236, 237,
 &end
#
#    0 AMB  10-2:1599    15 ASN  HD2-        5.50    (#   1599:10  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1188,1088,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1600    15 ASN  HD2-        5.50    (#   1600:10  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1217,1218,1226,1227,
 igr2= 236, 237,
 &end
#
#   51 GLU  HG+          37 GLU  HN          5.50    (#   1601:10  Unique    3.96, 4.80 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 824, 825,
 &end
#
#   37 GLU  HB+          37 GLU  HN          4.50    (#   1602:10  Unique    2.80, 3.17 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1603    37 GLU  HN          4.50    (#   1603:10  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 566, 567, 569, 570,
 &end
#
#   50 VAL  MGY          37 GLU  HN          5.50    (#   1604:10  Unique    3.89, 5.72 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   41 VAL  HB           47 ILE  HN          5.50    (#   1606:10  Unique    3.86, 4.52 A)
 &rst
  ixpk= 1606, nxpk= 10, iat= 659, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  MG2          47 ILE  HN          2.80    (#   1607:10  Unique    2.94, 3.72 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          47 ILE  HN          5.50    (#   1608:10  Unique    5.58, 6.84 A)
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#   16 LEU  HG           47 ILE  HN          4.50    (#   1609:10  Unique    4.43, 4.51 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 248, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HN           57 GLN  HE2-        5.50    (#   1610:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1611    44 ARG  HE          5.50    (#   1611:10  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   70 ILE  HN           71 THR  HN          3.50    (#   1612:10  Unique    2.33, 2.40 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=1108,1127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 PRO  HA           71 THR  HN          5.50    (#   1614:10  Unique    4.70, 4.80 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=1151,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD-          71 THR  HN          5.50    (#   1615:10  Unique    3.93, 4.66 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HD+          71 THR  HN          5.50    (#   1616:10  Unique    4.16, 4.78 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   70 ILE  MG2          71 THR  HN          3.50    (#   1617:10  Unique    3.68, 4.39 A)
 &rst
  ixpk= 1617, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   55 GLU  HN           54 THR  HN          5.50    (#   1618:10  Unique    4.31, 4.33 A)
 &rst
  ixpk= 1618, nxpk= 10, iat= 880, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           54 THR  HN          5.50    (#   1619:10  Unique    5.25, 5.33 A)
 &rst
  ixpk= 1619, nxpk= 10, iat= 832, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HN           31 GLN  HE2-        5.50    (#   1622:10  Unique    4.99, 5.96 A)
 &rst
  ixpk= 1622, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 493, 494,
 &end
#
#   79 THR  HN            2 GLN  HE2-        5.50    (#   1623:10  Unique    3.99, 4.72 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  26,  27,
 &end
#
#   26 SER  HB+          27 MET  HN          4.50    (#   1625:10  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1625, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   31 GLN  HB+          30 ASN  HN          5.50    (#   1626:10  Unique    5.03, 5.79 A)
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 485, 486,
 &end
#
#   55 GLU  HG-          59 ASN  HN          7.00    (#   1628:10  Unique    6.38, 6.75 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 887, 888,
 &end
#
#   62 LYS  HB-          63 GLU  HN          4.50    (#   1629:10  Unique    2.53, 3.34 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:1630     0 AMB  10-1:1630   3.50    (#   1630:10  Double Ambig)
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 918, 919, 525, 526,
 igr2= 926, 927, 926, 927,
 &end
#
#    0 AMB  10-2:1631    57 GLN  HE2-        3.50    (#   1631:10  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 918, 919, 525, 526,
 igr2= 926, 927,
 &end
#
#    5 GLN  HN            5 GLN  HE2-        5.50    (#   1632:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   65 LEU  MDX          31 GLN  HE2-        5.50    (#   1633:10  Unique    2.19, 3.97 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 493, 494,
 &end
#
#    8 ASN  HN           81 ALA  HN          5.50    (#   1635:10  Unique    4.97, 5.32 A)
 &rst
  ixpk= 1635, nxpk= 10, iat= 105,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG+          55 GLU  HN          3.50    (#   1636:10  Unique    1.90, 2.85 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   66 GLN  HG-          66 GLN  HN          4.50    (#   1637:10  Unique    2.78, 3.61 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   55 GLU  HG-          56 LEU  HN          5.50    (#   1638:10  Unique    4.09, 4.81 A)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:1640    11 LEU  HN          3.50    (#   1640:10  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 157, 819,
 &end
#
#   55 GLU  HA            9 GLN  HN          3.50    (#   1641:10  Unique    3.44, 3.50 A)
 &rst
  ixpk= 1641, nxpk= 10, iat= 882, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HB-          62 LYS  HN          3.50    (#   1642:10  Unique    2.15, 2.48 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:1643     0 AMB  10-1:1643   4.50    (#   1643:10  Double Ambig)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 351, 352, 336, 337,
 igr2= 327, 328, 327, 328,
 &end
#
#    0 AMB  10-2:1644    21 ASN  HD2-        4.50    (#   1644:10  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 351, 352, 336, 337,
 igr2= 327, 328,
 &end
#
#   54 THR  HG1          54 THR  HN          5.50    (#   1645:10  Unique    3.51, 3.64 A)
 &rst
  ixpk= 1645, nxpk= 10, iat= 876, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HE2-         54 THR  HN          5.50    (#   1646:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#    0 AMB  10-2:1648    35 PHE  HN          5.50    (#   1648:10  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 854,
 &end
#
#   49 PHE  HA           11 LEU  HN          5.50    (#   1649:10  Unique    4.51, 4.60 A)
 &rst
  ixpk= 1649, nxpk= 10, iat= 783, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HA           39 ARG  HN          5.50    (#   1650:10  Unique    4.70, 4.77 A)
 &rst
  ixpk= 1650, nxpk= 10, iat= 783, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1651     0 AMB  10-1:1651   5.50    (#   1651:10  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 785, 786, 178, 179, 785, 786,
 igr2= 155, 655,
 &end
#
#   39 ARG  HD-          39 ARG  HN          5.50    (#   1653:10  Unique    2.88, 5.24 A)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
#    0 AMB  10-2:1654    39 ARG  HN          5.50    (#   1654:10  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 339, 340, 339, 340,
 &end
#
#   20 THR  MG2          25 LEU  HN          5.50    (#   1655:10  Unique    3.83, 4.26 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
#   12 PHE  HA           50 VAL  HN          5.50    (#   1656:10  Unique    3.84, 3.91 A)
 &rst
  ixpk= 1656, nxpk= 10, iat= 176, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 PRO  HG+          43 ASN  HN          5.50    (#   1657:10  Unique    4.01, 4.95 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 676,
 &end
#
#   76 MET  HA           14 THR  HN          5.50    (#   1658:10  Unique    4.48, 4.63 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=1198, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1659    20 THR  HN          4.50    (#   1659:10  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 297, 296, 297,
 &end
#
#   17 PRO  HD-          16 LEU  HN          5.50    (#   1661:10  Unique    4.95, 5.07 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   35 PHE  HD           34 GLY  HN          5.50    (#   1662:10  Unique    5.80, 6.38 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 547, 555,
 &end
#
#   36 LYS  HB+          35 PHE  HN          7.00    (#   1665:10  Unique    5.38, 6.72 A)
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 563, 564,
 &end
#
#   11 LEU  HB+          79 THR  HN          5.50    (#   1666:10  Unique    3.19, 4.54 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   30 ASN  HB+          32 PHE  HN          5.50    (#   1668:10  Unique    5.06, 5.32 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   73 THR  HA           70 ILE  HN          7.00    (#   1669:10  Unique    7.34, 7.90 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=1157,1108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1671    71 THR  HN          5.50    (#   1671:10  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1182,
 &end
#
#   68 PHE  HD           71 THR  HN          7.00    (#   1672:10  Unique    5.55, 7.16 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1074,1082,
 &end
#
#   74 HIS  HA           71 THR  HN          5.50    (#   1674:10  Unique    4.93, 5.04 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=1171,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1675    71 THR  HN          4.50    (#   1675:10  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1142,1143, 270,
 &end
#
#    0 AMB  10-2:1677    73 THR  HN          5.50    (#   1677:10  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,1099,1100,
 &end
#
#    0 AMB  10-2:1678    73 THR  HN          3.50    (#   1678:10  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1129,
 &end
#
#   75 ALA  HN           73 THR  HN          5.50    (#   1680:10  Unique    5.16, 6.04 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=1186,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HD2-         74 HIS  HN          5.50    (#   1681:10  Unique    5.34, 5.87 A)
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#   70 ILE  MD1          76 MET  HN          4.50    (#   1685:10  Unique    3.79, 4.36 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   76 MET  ME           76 MET  HN          4.50    (#   1686:10  Unique    4.26, 5.26 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:1687    76 MET  HN          5.50    (#   1687:10  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1171,1025,
 &end
#
#   15 ASN  HD2-         76 MET  HN          5.50    (#   1688:10  Unique    4.83, 5.56 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#    0 AMB  10-2:1689    76 MET  HN          5.50    (#   1689:10  Single Ambig)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1074,1082, 250, 251, 252, 254, 255, 256,
 &end
#
#   15 ASN  HD2+         76 MET  HN          5.50    (#   1690:10  Unique    4.83, 5.56 A)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#   76 MET  HN           67 GLY  HN          5.50    (#   1691:10  Unique    4.32, 4.38 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=1196,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1693    67 GLY  HN          5.50    (#   1693:10  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1188,1088,
 &end
#
#   65 LEU  HA           67 GLY  HN          5.50    (#   1694:10  Unique    5.38, 5.48 A)
 &rst
  ixpk= 1694, nxpk= 10, iat=1025,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HB+          67 GLY  HN          5.50    (#   1695:10  Unique    4.62, 4.89 A)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          67 GLY  HN          5.50    (#   1696:10  Unique    4.62, 4.89 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#   42 PRO  HA           41 VAL  HN          5.50    (#   1697:10  Unique    4.19, 5.01 A)
 &rst
  ixpk= 1697, nxpk= 10, iat= 681, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           41 VAL  HN          5.50    (#   1698:10  Unique    4.05, 4.55 A)
 &rst
  ixpk= 1698, nxpk= 10, iat= 699, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           41 VAL  HN          5.50    (#   1699:10  Unique    4.23, 4.92 A)
 &rst
  ixpk= 1699, nxpk= 10, iat= 752, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASN  HD2+         43 ASN  HN          5.50    (#   1702:10  Unique    4.08, 5.51 A)
 &rst
  ixpk= 1702, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#    0 AMB  10-2:1709     0 AMB  10-1:1709   3.50    (#   1709:10  Double Ambig)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  64,  65,  49,  50,
 igr2=  72,  73,  72,  73,
 &end
#
#   47 ILE  HN           44 ARG  HN          5.50    (#   1711:10  Unique    5.02, 5.60 A)
 &rst
  ixpk= 1711, nxpk= 10, iat= 752, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HA           44 ARG  HN          7.00    (#   1712:10  Unique    5.95, 6.77 A)
 &rst
  ixpk= 1712, nxpk= 10, iat= 638, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HA           44 ARG  HN          4.50    (#   1713:10  Unique    4.60, 4.95 A)
 &rst
  ixpk= 1713, nxpk= 10, iat= 657, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1714    80 PHE  HN          4.50    (#   1714:10  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 986, 987, 164, 165, 166, 168, 169, 170,1241,1242,
      1243,
 &end
#
#   46 ASP  HN           45 HIS  HN          5.50    (#   1715:10  Unique    1.84, 2.59 A)
 &rst
  ixpk= 1715, nxpk= 10, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1716    47 ILE  HN          5.50    (#   1716:10  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 773, 229, 243,
 &end
#
#   14 THR  HA           47 ILE  HN          5.50    (#   1717:10  Unique    4.74, 4.86 A)
 &rst
  ixpk= 1717, nxpk= 10, iat= 215, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  MDY          47 ILE  HN          5.50    (#   1719:10  Unique    3.35, 5.79 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   44 ARG  HE           47 ILE  HN          5.50    (#   1720:10  Unique    3.60, 4.24 A)
 &rst
  ixpk= 1720, nxpk= 10, iat= 712, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           47 ILE  HN          5.50    (#   1721:10  Unique    4.23, 4.92 A)
 &rst
  ixpk= 1721, nxpk= 10, iat= 655, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1723     0 AMB  10-1:1723   5.50    (#   1723:10  Double Ambig)
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 935, 936, 217,
 igr2= 976, 771,
 &end
#
#    0 AMB  10-2:1724    62 LYS  HN          5.50    (#   1724:10  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 935, 936,1000,
 &end
#
#   60 ALA  HA           62 LYS  HN          5.50    (#   1725:10  Unique    4.39, 4.48 A)
 &rst
  ixpk= 1725, nxpk= 10, iat= 958, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HA           13 LEU  HN          5.50    (#   1726:10  Unique    4.93, 4.99 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=1237, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           13 LEU  HN          5.50    (#   1727:10  Unique    4.55, 4.63 A)
 &rst
  ixpk= 1727, nxpk= 10, iat= 754, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1728    13 LEU  HN          5.50    (#   1728:10  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 250, 251, 252, 254, 255, 256, 791, 795, 793,
 &end
#
#   78 ILE  HN           14 THR  HN          5.50    (#   1729:10  Unique    4.74, 4.86 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=1235, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HD           14 THR  HN          5.50    (#   1730:10  Unique    6.15, 6.59 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   15 ASN  HB+          14 THR  HN          5.50    (#   1731:10  Unique    4.80, 5.18 A)
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   48 ALA  MB           14 THR  HN          5.50    (#   1732:10  Unique    5.51, 6.81 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  10-2:1733    14 THR  HN          5.50    (#   1733:10  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1245,1246,1121,1122,1123,
 &end
#
#    0 AMB  10-2:1734     0 AMB  10-1:1734   5.50    (#   1734:10  Double Ambig)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 236, 237,
 igr2= 227, 781,
 &end
#
#   12 PHE  HZ           15 ASN  HN          7.00    (#   1735:10  Unique    6.62, 6.78 A)
 &rst
  ixpk= 1735, nxpk= 10, iat= 186, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HN           49 PHE  HN          5.50    (#   1736:10  Unique    4.24, 5.17 A)
 &rst
  ixpk= 1736, nxpk= 10, iat= 655, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           16 LEU  HN          5.50    (#   1737:10  Unique    4.85, 5.50 A)
 &rst
  ixpk= 1737, nxpk= 10, iat= 740, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           18 GLU  HN          5.50    (#   1738:10  Unique    4.53, 4.85 A)
 &rst
  ixpk= 1738, nxpk= 10, iat= 742, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 THR  HN           18 GLU  HN          4.50    (#   1743:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 1743, nxpk= 10, iat= 304, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ASP  HN           18 GLU  HN          7.00    (#   1744:10  Unique    5.36, 6.23 A)
 &rst
  ixpk= 1744, nxpk= 10, iat= 740, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 ASN  HN           19 GLU  HN          7.00    (#   1747:10  Unique    7.08, 7.19 A)
 &rst
  ixpk= 1747, nxpk= 10, iat= 318, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1750    20 THR  HN          3.50    (#   1750:10  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 293, 294, 267, 268,
 &end
#
#   46 ASP  HA           20 THR  HN          5.50    (#   1751:10  Unique    5.09, 5.58 A)
 &rst
  ixpk= 1751, nxpk= 10, iat= 742, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HD           29 PHE  HN          4.50    (#   1754:10  Unique         5.51, 5.96 A)
 &rst
  ixpk= 1754, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#    0 AMB  10-2:1755    30 ASN  HN          4.50    (#   1755:10  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#   65 LEU  MDX          30 ASN  HN          5.50    (#   1756:10  Unique         5.94, 7.57 A)
 &rst
  ixpk= 1756, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           35 PHE  HN          5.50    (#   1757:10  Unique         6.19, 7.19 A)
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#    0 AMB  10-2:1758    35 PHE  HN          5.50    (#   1758:10  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 522, 523, 471, 472,
 &end
#
#   30 ASN  HB+          35 PHE  HN          5.50    (#   1759:10  Unique         6.76, 7.67 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#    0 AMB  10-2:1760    35 PHE  HN          5.50    (#   1760:10  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 846, 844,
 &end
#
#   37 GLU  HN           35 PHE  HN          7.00    (#   1761:10  Unique         6.57, 6.71 A)
 &rst
  ixpk= 1761, nxpk= 10, iat= 581, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 PHE  HN           35 PHE  HN          5.50    (#   1762:10  Unique         4.41, 4.48 A)
 &rst
  ixpk= 1762, nxpk= 10, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HA           36 LYS  HN          5.50    (#   1763:10  Unique         6.42, 7.04 A)
 &rst
  ixpk= 1763, nxpk= 10, iat= 469, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1764    36 LYS  HN          4.50    (#   1764:10  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573, 572, 573,
 &end
#
#   36 LYS  HG-          36 LYS  HN          4.50    (#   1765:10  Unique         2.69, 3.68 A)
 &rst
  ixpk= 1765, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#   50 VAL  MGY          36 LYS  HN          5.50    (#   1766:10  Unique         4.16, 6.37 A)
 &rst
  ixpk= 1766, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   35 PHE  HE           37 GLU  HN          4.50    (#   1768:10  Unique         3.23, 4.68 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HN           37 GLU  HN          7.00    (#   1769:10  Unique         6.57, 6.71 A)
 &rst
  ixpk= 1769, nxpk= 10, iat= 539, 581, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end



  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          H1        ALA   1   9.175  -7.825  -2.250
    2   2H    ALA   1          H2        ALA   1   8.329  -8.201  -0.904
    3   3H    ALA   1          H3        ALA   1   7.745  -8.615  -2.383
    4    HA   ALA   1           HA       ALA   1   7.509  -6.309  -2.987
    5   1HB   ALA   1          1HB       ALA   1   5.542  -7.443  -2.011
    6   2HB   ALA   1          2HB       ALA   1   6.090  -7.010  -0.374
    7   3HB   ALA   1          3HB       ALA   1   5.608  -5.743  -1.519
    8    H    GLN   2           H        GLN   2   7.848  -4.120  -2.534
    9    HA   GLN   2           HA       GLN   2   9.906  -3.397  -0.655
   10   1HB   GLN   2          2HB       GLN   2   9.531  -1.149  -1.378
   11   2HB   GLN   2          3HB       GLN   2   9.483  -2.209  -2.781
   12   1HG   GLN   2          2HG       GLN   2   6.914  -2.130  -2.586
   13   2HG   GLN   2          3HG       GLN   2   7.143  -0.807  -1.440
   14   1HE2  GLN   2          2HE2      GLN   2   9.135   0.803  -2.536
   15   2HE2  GLN   2          1HE2      GLN   2   8.739   1.234  -4.185
   16    H    THR   3           H        THR   3   9.598  -1.830   1.177
   17    HA   THR   3           HA       THR   3   6.969  -1.962   2.512
   18    HB   THR   3           HB       THR   3   8.324  -2.573   4.652
   19    HG1  THR   3           1HG      THR   3  10.038  -3.528   2.604
   20   1HG2  THR   3          1HG2      THR   3   6.627  -4.068   3.648
   21   2HG2  THR   3          2HG2      THR   3   7.871  -4.765   2.587
   22   3HG2  THR   3          3HG2      THR   3   7.987  -4.959   4.348
   23    H    GLU   4           H        GLU   4   6.628  -0.205   3.901
   24    HA   GLU   4           HA       GLU   4   8.714   1.912   3.955
   25   1HB   GLU   4          2HB       GLU   4   5.791   1.890   4.820
   26   2HB   GLU   4          3HB       GLU   4   6.929   3.191   5.209
   27   1HG   GLU   4          2HG       GLU   4   7.415   3.440   2.750
   28   2HG   GLU   4          3HG       GLU   4   6.097   2.311   2.416
   29    H    GLN   5           H        GLN   5   9.183   2.800   6.135
   30    HA   GLN   5           HA       GLN   5   9.120   1.009   8.443
   31   1HB   GLN   5          2HB       GLN   5  11.663   1.794   6.917
   32   2HB   GLN   5          3HB       GLN   5  11.683   1.152   8.544
   33   1HG   GLN   5          2HG       GLN   5  10.689  -0.395   6.117
   34   2HG   GLN   5          3HG       GLN   5  12.294  -0.477   6.810
   35   1HE2  GLN   5          2HE2      GLN   5   8.879  -1.277   7.405
   36   2HE2  GLN   5          1HE2      GLN   5   9.192  -2.430   8.695
   37    HA   PRO   6           HA       PRO   6  10.011   5.150  10.351
   38   1HB   PRO   6          2HB       PRO   6  12.319   3.701  11.650
   39   2HB   PRO   6          3HB       PRO   6  11.178   4.876  12.375
   40   1HG   PRO   6          2HG       PRO   6  10.873   2.220  12.834
   41   2HG   PRO   6          3HG       PRO   6   9.439   3.236  12.475
   42   1HD   PRO   6          2HD       PRO   6  10.979   1.432  10.600
   43   2HD   PRO   6          3HD       PRO   6   9.208   1.602  10.790
   44    HA   PRO   7           HA       PRO   7  12.914   6.636   7.408
   45   1HB   PRO   7          2HB       PRO   7  14.095   8.303   9.645
   46   2HB   PRO   7          3HB       PRO   7  13.726   8.792   7.959
   47   1HG   PRO   7          2HG       PRO   7  11.992   9.389   9.948
   48   2HG   PRO   7          3HG       PRO   7  11.369   8.742   8.395
   49   1HD   PRO   7          2HD       PRO   7  11.796   7.278  11.007
   50   2HD   PRO   7          3HD       PRO   7  10.448   7.157   9.836
   51    H    ASN   8           H        ASN   8  14.934   6.300   6.540
   52    HA   ASN   8           HA       ASN   8  17.205   5.427   8.183
   53   1HB   ASN   8          2HB       ASN   8  16.084   3.284   7.660
   54   2HB   ASN   8          3HB       ASN   8  16.008   3.733   5.952
   55   1HD2  ASN   8          2HD2      ASN   8  17.273   1.963   5.237
   56   2HD2  ASN   8          1HD2      ASN   8  19.003   1.902   5.538
   57    H    GLN   9           H        GLN   9  19.191   5.670   6.933
   58    HA   GLN   9           HA       GLN   9  19.046   7.965   5.163
   59   1HB   GLN   9          2HB       GLN   9  21.372   8.119   5.440
   60   2HB   GLN   9          3HB       GLN   9  20.711   7.664   7.000
   61   1HG   GLN   9          2HG       GLN   9  21.354   5.260   6.514
   62   2HG   GLN   9          3HG       GLN   9  22.135   5.815   5.027
   63   1HE2  GLN   9          2HE2      GLN   9  23.728   7.772   5.394
   64   2HE2  GLN   9          1HE2      GLN   9  24.789   7.599   6.780
   65    H    ILE  10           H        ILE  10  18.181   5.058   4.213
   66    HA   ILE  10           HA       ILE  10  19.523   5.215   1.611
   67    HB   ILE  10           HB       ILE  10  19.235   2.556   3.059
   68   1HG1  ILE  10          2HG1      ILE  10  21.744   4.253   2.785
   69   2HG1  ILE  10          3HG1      ILE  10  20.937   3.766   4.280
   70   1HG2  ILE  10          1HG2      ILE  10  19.201   2.552   0.521
   71   2HG2  ILE  10          2HG2      ILE  10  20.816   3.278   0.546
   72   3HG2  ILE  10          3HG2      ILE  10  20.538   1.650   1.201
   73   1HD1  ILE  10          1HD1      ILE  10  21.456   1.364   3.708
   74   2HD1  ILE  10          2HD1      ILE  10  22.489   1.976   2.392
   75   3HD1  ILE  10          3HD1      ILE  10  22.856   2.395   4.071
   76    H    LEU  11           H        LEU  11  18.127   4.615  -0.016
   77    HA   LEU  11           HA       LEU  11  15.279   4.108   0.724
   78   1HB   LEU  11          2HB       LEU  11  16.401   5.902  -1.459
   79   2HB   LEU  11          3HB       LEU  11  14.696   5.573  -1.183
   80    HG   LEU  11           HG       LEU  11  16.504   7.020   0.803
   81   1HD1  LEU  11          1HD1      LEU  11  16.235   8.334  -1.244
   82   2HD1  LEU  11          2HD1      LEU  11  14.473   8.146  -1.163
   83   3HD1  LEU  11          3HD1      LEU  11  15.331   9.065   0.090
   84   1HD2  LEU  11          1HD2      LEU  11  13.485   6.572   0.736
   85   2HD2  LEU  11          2HD2      LEU  11  14.642   5.960   1.935
   86   3HD2  LEU  11          3HD2      LEU  11  14.313   7.692   1.837
   87    H    PHE  12           H        PHE  12  14.127   2.927  -0.843
   88    HA   PHE  12           HA       PHE  12  15.655   1.513  -2.968
   89   1HB   PHE  12          2HB       PHE  12  15.266  -0.098  -1.169
   90   2HB   PHE  12          3HB       PHE  12  13.590   0.414  -1.016
   91    HD1  PHE  12           HD1      PHE  12  12.146  -1.303  -1.701
   92    HD2  PHE  12           HD2      PHE  12  15.752  -0.596  -3.966
   93    HE1  PHE  12           HE1      PHE  12  11.509  -3.091  -3.305
   94    HE2  PHE  12           HE2      PHE  12  15.086  -2.345  -5.576
   95    HZ   PHE  12           HZ       PHE  12  12.959  -3.600  -5.254
   96    H    LEU  13           H        LEU  13  14.587   1.645  -4.911
   97    HA   LEU  13           HA       LEU  13  12.128   3.348  -4.979
   98   1HB   LEU  13          2HB       LEU  13  14.792   3.510  -6.455
   99   2HB   LEU  13          3HB       LEU  13  13.317   4.165  -7.126
  100    HG   LEU  13           HG       LEU  13  13.047   5.691  -5.226
  101   1HD1  LEU  13          1HD1      LEU  13  14.230   4.707  -3.402
  102   2HD1  LEU  13          2HD1      LEU  13  15.731   4.555  -4.343
  103   3HD1  LEU  13          3HD1      LEU  13  15.134   6.154  -3.831
  104   1HD2  LEU  13          1HD2      LEU  13  15.705   5.839  -6.706
  105   2HD2  LEU  13          2HD2      LEU  13  14.132   6.379  -7.327
  106   3HD2  LEU  13          3HD2      LEU  13  14.861   7.203  -5.948
  107    H    THR  14           H        THR  14  10.718   2.925  -6.719
  108    HA   THR  14           HA       THR  14  11.314   0.639  -8.489
  109    HB   THR  14           HB       THR  14   9.160  -0.432  -7.823
  110    HG1  THR  14           1HG      THR  14   8.203   0.215  -5.891
  111   1HG2  THR  14          1HG2      THR  14  11.332  -1.175  -6.722
  112   2HG2  THR  14          2HG2      THR  14  10.918  -0.136  -5.351
  113   3HG2  THR  14          3HG2      THR  14   9.863  -1.491  -5.791
  114    H    ASN  15           H        ASN  15   9.339   0.322 -10.002
  115    HA   ASN  15           HA       ASN  15   8.163   1.056 -11.737
  116   1HB   ASN  15          2HB       ASN  15   6.566   1.656  -9.900
  117   2HB   ASN  15          3HB       ASN  15   7.191   3.306  -9.950
  118   1HD2  ASN  15          2HD2      ASN  15   5.850   4.643 -11.117
  119   2HD2  ASN  15          1HD2      ASN  15   4.838   4.129 -12.465
  120    H    LEU  16           H        LEU  16  10.901   1.956 -11.509
  121    HA   LEU  16           HA       LEU  16  11.024   4.702 -12.518
  122   1HB   LEU  16          2HB       LEU  16  13.239   2.634 -12.477
  123   2HB   LEU  16          3HB       LEU  16  13.410   4.376 -12.525
  124    HG   LEU  16           HG       LEU  16  12.379   2.758 -10.153
  125   1HD1  LEU  16          1HD1      LEU  16  14.790   2.483 -10.631
  126   2HD1  LEU  16          2HD1      LEU  16  15.001   4.237 -10.529
  127   3HD1  LEU  16          3HD1      LEU  16  14.481   3.316  -9.096
  128   1HD2  LEU  16          1HD2      LEU  16  13.090   5.706 -10.202
  129   2HD2  LEU  16          2HD2      LEU  16  11.415   5.115 -10.355
  130   3HD2  LEU  16          3HD2      LEU  16  12.321   4.785  -8.898
  131    HA   PRO  17           HA       PRO  17  10.932   3.835 -16.916
  132   1HB   PRO  17          2HB       PRO  17  13.684   5.060 -17.082
  133   2HB   PRO  17          3HB       PRO  17  12.256   5.351 -18.121
  134   1HG   PRO  17          2HG       PRO  17  12.961   7.099 -16.164
  135   2HG   PRO  17          3HG       PRO  17  11.242   6.718 -16.475
  136   1HD   PRO  17          2HD       PRO  17  13.000   5.742 -14.254
  137   2HD   PRO  17          3HD       PRO  17  11.267   6.122 -14.239
  138    H    GLU  18           H        GLU  18  11.641   2.333 -18.423
  139    HA   GLU  18           HA       GLU  18  13.294   0.145 -17.582
  140   1HB   GLU  18          2HB       GLU  18  12.254   0.928 -20.343
  141   2HB   GLU  18          3HB       GLU  18  12.954  -0.639 -19.917
  142   1HG   GLU  18          2HG       GLU  18  11.133  -0.980 -18.242
  143   2HG   GLU  18          3HG       GLU  18  10.389   0.533 -18.763
  144    H    GLU  19           H        GLU  19  14.232   3.201 -18.509
  145    HA   GLU  19           HA       GLU  19  16.853   2.327 -19.627
  146   1HB   GLU  19          2HB       GLU  19  15.193   4.765 -20.402
  147   2HB   GLU  19          3HB       GLU  19  16.777   4.327 -21.055
  148   1HG   GLU  19          2HG       GLU  19  15.787   2.214 -21.961
  149   2HG   GLU  19          3HG       GLU  19  14.195   2.756 -21.424
  150    H    THR  20           H        THR  20  15.720   3.212 -16.804
  151    HA   THR  20           HA       THR  20  16.801   5.717 -16.135
  152    HB   THR  20           HB       THR  20  16.620   3.276 -14.320
  153    HG1  THR  20           1HG      THR  20  14.607   3.492 -15.079
  154   1HG2  THR  20          1HG2      THR  20  17.752   5.226 -13.264
  155   2HG2  THR  20          2HG2      THR  20  16.398   6.273 -13.742
  156   3HG2  THR  20          3HG2      THR  20  16.151   4.965 -12.566
  157    H    ASN  21           H        ASN  21  18.788   6.392 -15.354
  158    HA   ASN  21           HA       ASN  21  21.111   4.539 -15.501
  159   1HB   ASN  21          2HB       ASN  21  20.955   5.912 -17.589
  160   2HB   ASN  21          3HB       ASN  21  20.910   7.378 -16.617
  161   1HD2  ASN  21          2HD2      ASN  21  23.001   5.029 -18.105
  162   2HD2  ASN  21          1HD2      ASN  21  24.493   5.662 -17.466
  163    H    GLU  22           H        GLU  22  22.724   5.083 -13.955
  164    HA   GLU  22           HA       GLU  22  21.891   5.955 -11.451
  165   1HB   GLU  22          2HB       GLU  22  23.916   4.580 -12.124
  166   2HB   GLU  22          3HB       GLU  22  24.713   6.086 -12.591
  167   1HG   GLU  22          2HG       GLU  22  24.416   6.893 -10.213
  168   2HG   GLU  22          3HG       GLU  22  23.732   5.309  -9.815
  169    H    MET  23           H        MET  23  23.438   7.864 -14.040
  170    HA   MET  23           HA       MET  23  23.935  10.197 -12.534
  171   1HB   MET  23          2HB       MET  23  24.811   9.457 -14.836
  172   2HB   MET  23          3HB       MET  23  23.295  10.089 -15.509
  173   1HG   MET  23          2HG       MET  23  23.887  12.312 -14.383
  174   2HG   MET  23          3HG       MET  23  25.459  11.608 -13.995
  175   1HE   MET  23          1HE       MET  23  27.126  10.651 -15.939
  176   2HE   MET  23          2HE       MET  23  25.854   9.857 -16.901
  177   3HE   MET  23          3HE       MET  23  26.937  11.034 -17.665
  178    H    MET  24           H        MET  24  20.919   9.049 -14.065
  179    HA   MET  24           HA       MET  24  19.583  11.619 -14.151
  180   1HB   MET  24          2HB       MET  24  18.439   8.788 -13.967
  181   2HB   MET  24          3HB       MET  24  17.499  10.245 -14.259
  182   1HG   MET  24          2HG       MET  24  18.579  10.622 -16.381
  183   2HG   MET  24          3HG       MET  24  19.719   9.299 -16.102
  184   1HE   MET  24          1HE       MET  24  17.747   9.764 -18.701
  185   2HE   MET  24          2HE       MET  24  18.991   8.495 -18.607
  186   3HE   MET  24          3HE       MET  24  17.319   8.073 -19.040
  187    H    LEU  25           H        LEU  25  19.550   8.843 -11.848
  188    HA   LEU  25           HA       LEU  25  17.785  10.194 -10.001
  189   1HB   LEU  25          2HB       LEU  25  19.657   7.848  -9.598
  190   2HB   LEU  25          3HB       LEU  25  18.482   8.403  -8.406
  191    HG   LEU  25           HG       LEU  25  17.861   7.238 -11.156
  192   1HD1  LEU  25          1HD1      LEU  25  18.643   5.611  -9.470
  193   2HD1  LEU  25          2HD1      LEU  25  17.389   6.161  -8.344
  194   3HD1  LEU  25          3HD1      LEU  25  16.940   5.363  -9.870
  195   1HD2  LEU  25          1HD2      LEU  25  15.952   8.220  -8.985
  196   2HD2  LEU  25          2HD2      LEU  25  16.114   8.865 -10.638
  197   3HD2  LEU  25          3HD2      LEU  25  15.479   7.240 -10.390
  198    H    SER  26           H        SER  26  21.409   9.840 -10.170
  199    HA   SER  26           HA       SER  26  21.936  11.222  -7.788
  200   1HB   SER  26          2HB       SER  26  23.485  11.242 -10.410
  201   2HB   SER  26          3HB       SER  26  24.103  11.819  -8.850
  202    HG   SER  26           HG       SER  26  24.682   9.630  -9.320
  203    H    MET  27           H        MET  27  21.370  12.614 -11.109
  204    HA   MET  27           HA       MET  27  21.744  15.296 -10.274
  205   1HB   MET  27          2HB       MET  27  21.804  14.538 -12.603
  206   2HB   MET  27          3HB       MET  27  20.070  14.177 -12.562
  207   1HG   MET  27          2HG       MET  27  19.503  16.495 -12.355
  208   2HG   MET  27          3HG       MET  27  21.160  16.939 -11.944
  209   1HE   MET  27          1HE       MET  27  20.157  14.487 -14.958
  210   2HE   MET  27          2HE       MET  27  18.798  15.632 -14.838
  211   3HE   MET  27          3HE       MET  27  19.890  15.684 -16.240
  212    H    LEU  28           H        LEU  28  18.777  13.244 -10.270
  213    HA   LEU  28           HA       LEU  28  17.027  15.404  -9.513
  214   1HB   LEU  28          2HB       LEU  28  16.773  12.384  -9.214
  215   2HB   LEU  28          3HB       LEU  28  15.502  13.511  -8.755
  216    HG   LEU  28           HG       LEU  28  16.609  13.222 -11.579
  217   1HD1  LEU  28          1HD1      LEU  28  15.330  11.241 -10.807
  218   2HD1  LEU  28          2HD1      LEU  28  13.958  12.296 -10.398
  219   3HD1  LEU  28          3HD1      LEU  28  14.485  12.120 -12.087
  220   1HD2  LEU  28          1HD2      LEU  28  14.262  14.856 -10.527
  221   2HD2  LEU  28          2HD2      LEU  28  15.756  15.488 -11.259
  222   3HD2  LEU  28          3HD2      LEU  28  14.628  14.564 -12.242
  223    H    PHE  29           H        PHE  29  18.743  12.908  -7.523
  224    HA   PHE  29           HA       PHE  29  17.486  14.001  -5.126
  225   1HB   PHE  29          2HB       PHE  29  19.377  11.703  -5.656
  226   2HB   PHE  29          3HB       PHE  29  19.030  12.260  -4.028
  227    HD1  PHE  29           HD1      PHE  29  16.977  11.799  -2.907
  228    HD2  PHE  29           HD2      PHE  29  17.410  10.770  -7.063
  229    HE1  PHE  29           HE1      PHE  29  14.920  10.425  -2.780
  230    HE2  PHE  29           HE2      PHE  29  15.351   9.418  -6.940
  231    HZ   PHE  29           HZ       PHE  29  14.101   9.231  -4.803
  232    H    ASN  30           H        ASN  30  20.653  14.448  -6.709
  233    HA   ASN  30           HA       ASN  30  22.024  15.512  -4.469
  234   1HB   ASN  30          2HB       ASN  30  23.115  14.844  -6.583
  235   2HB   ASN  30          3HB       ASN  30  22.354  16.210  -7.408
  236   1HD2  ASN  30          2HD2      ASN  30  23.903  17.815  -7.736
  237   2HD2  ASN  30          1HD2      ASN  30  25.139  18.247  -6.588
  238    H    GLN  31           H        GLN  31  19.308  16.856  -6.070
  239    HA   GLN  31           HA       GLN  31  19.718  19.646  -5.617
  240   1HB   GLN  31          2HB       GLN  31  17.183  17.951  -5.508
  241   2HB   GLN  31          3HB       GLN  31  17.223  19.717  -5.514
  242   1HG   GLN  31          2HG       GLN  31  18.343  19.702  -7.731
  243   2HG   GLN  31          3HG       GLN  31  18.262  17.937  -7.762
  244   1HE2  GLN  31          2HE2      GLN  31  16.022  16.954  -7.542
  245   2HE2  GLN  31          1HE2      GLN  31  14.679  17.806  -8.296
  246    H    PHE  32           H        PHE  32  19.108  16.944  -3.381
  247    HA   PHE  32           HA       PHE  32  18.369  18.792  -1.207
  248   1HB   PHE  32          2HB       PHE  32  18.574  15.764  -1.199
  249   2HB   PHE  32          3HB       PHE  32  17.833  16.778   0.037
  250    HD1  PHE  32           HD1      PHE  32  15.902  18.442  -0.921
  251    HD2  PHE  32           HD2      PHE  32  17.157  14.755  -2.775
  252    HE1  PHE  32           HE1      PHE  32  13.796  18.374  -2.232
  253    HE2  PHE  32           HE2      PHE  32  15.060  14.692  -4.072
  254    HZ   PHE  32           HZ       PHE  32  13.384  16.515  -3.836
  255    HA   PRO  33           HA       PRO  33  22.599  19.023  -0.152
  256   1HB   PRO  33          2HB       PRO  33  22.544  20.075   2.396
  257   2HB   PRO  33          3HB       PRO  33  22.048  20.965   0.930
  258   1HG   PRO  33          2HG       PRO  33  20.274  19.473   2.885
  259   2HG   PRO  33          3HG       PRO  33  20.072  21.139   2.253
  260   1HD   PRO  33          2HD       PRO  33  18.749  19.030   1.162
  261   2HD   PRO  33          3HD       PRO  33  19.384  20.354   0.139
  262    H    GLY  34           H        GLY  34  20.840  16.501   1.142
  263   1HA   GLY  34          2HA       GLY  34  23.109  15.473   2.803
  264   2HA   GLY  34          3HA       GLY  34  21.407  15.052   3.001
  265    H    PHE  35           H        PHE  35  21.949  15.140  -0.335
  266    HA   PHE  35           HA       PHE  35  21.752  12.286  -0.626
  267   1HB   PHE  35          2HB       PHE  35  20.898  13.696  -2.337
  268   2HB   PHE  35          3HB       PHE  35  22.386  14.634  -2.435
  269    HD1  PHE  35           HD1      PHE  35  24.139  14.045  -3.931
  270    HD2  PHE  35           HD2      PHE  35  20.968  11.232  -3.130
  271    HE1  PHE  35           HE1      PHE  35  24.978  12.583  -5.749
  272    HE2  PHE  35           HE2      PHE  35  21.798   9.791  -4.951
  273    HZ   PHE  35           HZ       PHE  35  23.812  10.453  -6.268
  274    H    LYS  36           H        LYS  36  23.371  10.750  -1.241
  275    HA   LYS  36           HA       LYS  36  26.164  11.774  -1.422
  276   1HB   LYS  36          2HB       LYS  36  25.338   9.256   0.074
  277   2HB   LYS  36          3HB       LYS  36  26.989   9.763  -0.305
  278   1HG   LYS  36          2HG       LYS  36  26.396  11.959   0.978
  279   2HG   LYS  36          3HG       LYS  36  25.039  11.038   1.629
  280   1HD   LYS  36          2HD       LYS  36  28.012  10.428   1.875
  281   2HD   LYS  36          3HD       LYS  36  26.939  10.981   3.164
  282   1HE   LYS  36          2HE       LYS  36  25.698   8.850   3.098
  283   2HE   LYS  36          3HE       LYS  36  26.663   8.304   1.719
  284   1HZ   LYS  36          1HZ       LYS  36  28.627   8.350   3.132
  285   2HZ   LYS  36          2HZ       LYS  36  27.757   8.852   4.419
  286   3HZ   LYS  36          3HZ       LYS  36  27.499   7.375   3.780
  287    H    GLU  37           H        GLU  37  23.946   8.956  -2.246
  288    HA   GLU  37           HA       GLU  37  25.501   8.617  -4.710
  289   1HB   GLU  37          2HB       GLU  37  26.637   7.492  -2.517
  290   2HB   GLU  37          3HB       GLU  37  25.498   6.205  -2.900
  291   1HG   GLU  37          2HG       GLU  37  26.465   6.079  -5.204
  292   2HG   GLU  37          3HG       GLU  37  27.536   7.420  -4.825
  293    H    VAL  38           H        VAL  38  24.805   6.509  -5.840
  294    HA   VAL  38           HA       VAL  38  22.003   5.713  -5.398
  295    HB   VAL  38           HB       VAL  38  23.206   6.730  -8.013
  296   1HG1  VAL  38          1HG1      VAL  38  21.710   4.796  -8.476
  297   2HG1  VAL  38          2HG1      VAL  38  20.402   5.607  -7.582
  298   3HG1  VAL  38          3HG1      VAL  38  21.066   6.294  -9.085
  299   1HG2  VAL  38          1HG2      VAL  38  20.940   7.842  -6.323
  300   2HG2  VAL  38          2HG2      VAL  38  22.509   8.597  -6.699
  301   3HG2  VAL  38          3HG2      VAL  38  21.333   8.368  -7.975
  302    H    ARG  39           H        ARG  39  21.660   3.564  -6.228
  303    HA   ARG  39           HA       ARG  39  23.909   2.272  -7.637
  304   1HB   ARG  39          2HB       ARG  39  24.059   1.694  -5.184
  305   2HB   ARG  39          3HB       ARG  39  22.497   0.878  -5.324
  306   1HG   ARG  39          2HG       ARG  39  23.448  -0.625  -7.070
  307   2HG   ARG  39          3HG       ARG  39  25.000   0.218  -6.955
  308   1HD   ARG  39          2HD       ARG  39  23.655  -1.389  -4.739
  309   2HD   ARG  39          3HD       ARG  39  25.022  -1.904  -5.719
  310    HE   ARG  39           HE       ARG  39  26.439  -0.299  -4.700
  311   1HH1  ARG  39          1HH1      ARG  39  23.295  -0.558  -3.061
  312   2HH1  ARG  39          2HH1      ARG  39  23.818   0.250  -1.631
  313   1HH2  ARG  39          1HH2      ARG  39  27.125   0.787  -2.804
  314   2HH2  ARG  39          2HH2      ARG  39  26.048   1.018  -1.482
  315    H    LEU  40           H        LEU  40  22.952   1.993  -9.547
  316    HA   LEU  40           HA       LEU  40  20.086   1.526  -9.865
  317   1HB   LEU  40          2HB       LEU  40  22.340   2.339 -11.531
  318   2HB   LEU  40          3HB       LEU  40  21.629   0.926 -12.257
  319    HG   LEU  40           HG       LEU  40  20.741   3.042 -13.135
  320   1HD1  LEU  40          1HD1      LEU  40  19.337   1.011 -13.211
  321   2HD1  LEU  40          2HD1      LEU  40  18.573   1.470 -11.665
  322   3HD1  LEU  40          3HD1      LEU  40  18.375   2.489 -13.095
  323   1HD2  LEU  40          1HD2      LEU  40  19.288   3.509 -10.515
  324   2HD2  LEU  40          2HD2      LEU  40  20.870   4.215 -10.837
  325   3HD2  LEU  40          3HD2      LEU  40  19.495   4.606 -11.888
  326    H    VAL  41           H        VAL  41  19.423  -0.384 -11.304
  327    HA   VAL  41           HA       VAL  41  20.998  -2.839 -10.695
  328    HB   VAL  41           HB       VAL  41  17.983  -2.609 -10.978
  329   1HG1  VAL  41          1HG1      VAL  41  18.836  -4.754 -11.864
  330   2HG1  VAL  41          2HG1      VAL  41  19.791  -5.003 -10.384
  331   3HG1  VAL  41          3HG1      VAL  41  18.018  -5.010 -10.324
  332   1HG2  VAL  41          1HG2      VAL  41  19.793  -3.107  -8.565
  333   2HG2  VAL  41          2HG2      VAL  41  18.666  -1.753  -8.801
  334   3HG2  VAL  41          3HG2      VAL  41  18.045  -3.389  -8.567
  335    HA   PRO  42           HA       PRO  42  21.277  -1.545 -15.024
  336   1HB   PRO  42          2HB       PRO  42  23.669  -2.699 -15.725
  337   2HB   PRO  42          3HB       PRO  42  23.526  -1.259 -14.677
  338   1HG   PRO  42          2HG       PRO  42  23.801  -4.158 -13.815
  339   2HG   PRO  42          3HG       PRO  42  24.774  -2.747 -13.277
  340   1HD   PRO  42          2HD       PRO  42  22.672  -3.642 -11.828
  341   2HD   PRO  42          3HD       PRO  42  22.985  -1.887 -11.995
  342    H    ASN  43           H        ASN  43  20.226  -4.435 -13.989
  343    HA   ASN  43           HA       ASN  43  20.010  -5.598 -16.725
  344   1HB   ASN  43          2HB       ASN  43  19.826  -7.789 -15.741
  345   2HB   ASN  43          3HB       ASN  43  21.320  -7.039 -15.209
  346   1HD2  ASN  43          2HD2      ASN  43  21.637  -6.708 -12.954
  347   2HD2  ASN  43          1HD2      ASN  43  20.456  -7.165 -11.757
  348    H    ARG  44           H        ARG  44  18.300  -3.712 -14.664
  349    HA   ARG  44           HA       ARG  44  15.732  -4.709 -15.744
  350   1HB   ARG  44          2HB       ARG  44  16.437  -4.652 -12.812
  351   2HB   ARG  44          3HB       ARG  44  14.868  -4.023 -13.278
  352   1HG   ARG  44          2HG       ARG  44  14.396  -6.164 -14.524
  353   2HG   ARG  44          3HG       ARG  44  15.915  -6.809 -13.889
  354   1HD   ARG  44          2HD       ARG  44  14.075  -7.614 -12.552
  355   2HD   ARG  44          3HD       ARG  44  15.057  -6.515 -11.570
  356    HE   ARG  44           HE       ARG  44  13.122  -4.847 -12.593
  357   1HH1  ARG  44          1HH1      ARG  44  12.925  -7.871 -10.726
  358   2HH1  ARG  44          2HH1      ARG  44  11.437  -7.445  -9.965
  359   1HH2  ARG  44          1HH2      ARG  44  11.204  -4.288 -11.637
  360   2HH2  ARG  44          2HH2      ARG  44  10.415  -5.353 -10.507
  361    H    HIS  45           H        HIS  45  17.477  -2.135 -14.003
  362    HA   HIS  45           HA       HIS  45  17.358   0.046 -13.918
  363   1HB   HIS  45          2HB       HIS  45  15.706   0.061 -16.447
  364   2HB   HIS  45          3HB       HIS  45  16.648   1.380 -15.775
  365    HD1  HIS  45           HD1      HIS  45  16.984  -0.295 -18.683
  366    HD2  HIS  45           HD2      HIS  45  19.449  -0.138 -15.275
  367    HE1  HIS  45           HE1      HIS  45  19.338  -0.934 -19.460
  368    H    ASP  46           H        ASP  46  14.158  -1.460 -14.303
  369    HA   ASP  46           HA       ASP  46  12.684   0.810 -13.522
  370   1HB   ASP  46          2HB       ASP  46  10.798  -0.513 -13.554
  371   2HB   ASP  46          3HB       ASP  46  11.854  -1.291 -14.729
  372    H    ILE  47           H        ILE  47  14.802  -0.885 -11.560
  373    HA   ILE  47           HA       ILE  47  13.575   0.322  -9.207
  374    HB   ILE  47           HB       ILE  47  14.000  -1.439  -7.730
  375   1HG1  ILE  47          2HG1      ILE  47  16.028  -2.401  -9.149
  376   2HG1  ILE  47          3HG1      ILE  47  15.194  -3.304  -7.915
  377   1HG2  ILE  47          1HG2      ILE  47  11.835  -1.496  -8.913
  378   2HG2  ILE  47          2HG2      ILE  47  12.478  -2.662 -10.059
  379   3HG2  ILE  47          3HG2      ILE  47  12.345  -3.093  -8.342
  380   1HD1  ILE  47          1HD1      ILE  47  13.972  -4.582  -9.553
  381   2HD1  ILE  47          2HD1      ILE  47  14.609  -3.570 -10.879
  382   3HD1  ILE  47          3HD1      ILE  47  15.691  -4.621  -9.944
  383    H    ALA  48           H        ALA  48  15.191   0.808  -7.517
  384    HA   ALA  48           HA       ALA  48  18.025   0.608  -8.135
  385   1HB   ALA  48          1HB       ALA  48  17.313   2.544  -9.592
  386   2HB   ALA  48          2HB       ALA  48  16.699   3.366  -8.139
  387   3HB   ALA  48          3HB       ALA  48  18.430   3.028  -8.303
  388    H    PHE  49           H        PHE  49  19.237   2.046  -6.427
  389    HA   PHE  49           HA       PHE  49  17.687   2.449  -3.930
  390   1HB   PHE  49          2HB       PHE  49  20.470   1.235  -4.180
  391   2HB   PHE  49          3HB       PHE  49  19.731   1.745  -2.676
  392    HD1  PHE  49           HD1      PHE  49  19.571  -0.775  -5.413
  393    HD2  PHE  49           HD2      PHE  49  18.108   0.385  -1.523
  394    HE1  PHE  49           HE1      PHE  49  18.597  -3.038  -5.102
  395    HE2  PHE  49           HE2      PHE  49  17.161  -1.890  -1.205
  396    HZ   PHE  49           HZ       PHE  49  17.397  -3.601  -2.995
  397    H    VAL  50           H        VAL  50  18.649   4.133  -2.580
  398    HA   VAL  50           HA       VAL  50  20.624   5.938  -3.840
  399    HB   VAL  50           HB       VAL  50  17.875   6.844  -2.877
  400   1HG1  VAL  50          1HG1      VAL  50  19.599   8.548  -2.461
  401   2HG1  VAL  50          2HG1      VAL  50  20.137   8.432  -4.147
  402   3HG1  VAL  50          3HG1      VAL  50  18.521   9.055  -3.763
  403   1HG2  VAL  50          1HG2      VAL  50  18.966   6.734  -5.721
  404   2HG2  VAL  50          2HG2      VAL  50  17.609   5.797  -5.078
  405   3HG2  VAL  50          3HG2      VAL  50  17.463   7.544  -5.230
  406    H    GLU  51           H        GLU  51  21.723   7.218  -2.198
  407    HA   GLU  51           HA       GLU  51  21.264   6.348   0.616
  408   1HB   GLU  51          2HB       GLU  51  22.905   4.856  -0.372
  409   2HB   GLU  51          3HB       GLU  51  23.836   6.222  -1.007
  410   1HG   GLU  51          2HG       GLU  51  24.468   6.925   1.224
  411   2HG   GLU  51          3HG       GLU  51  23.331   5.796   1.962
  412    H    PHE  52           H        PHE  52  21.895   7.790   2.159
  413    HA   PHE  52           HA       PHE  52  22.532  10.580   1.365
  414   1HB   PHE  52          2HB       PHE  52  20.097   9.371   2.677
  415   2HB   PHE  52          3HB       PHE  52  20.666  10.884   3.315
  416    HD1  PHE  52           HD1      PHE  52  19.809   9.367  -0.053
  417    HD2  PHE  52           HD2      PHE  52  19.845  12.852   2.475
  418    HE1  PHE  52           HE1      PHE  52  18.723  10.684  -1.841
  419    HE2  PHE  52           HE2      PHE  52  18.708  14.157   0.702
  420    HZ   PHE  52           HZ       PHE  52  18.203  13.095  -1.483
  421    H    THR  53           H        THR  53  23.124  11.905   3.246
  422    HA   THR  53           HA       THR  53  24.953  10.673   5.026
  423    HB   THR  53           HB       THR  53  23.682  13.439   5.181
  424    HG1  THR  53           1HG      THR  53  25.289  14.056   3.752
  425   1HG2  THR  53          1HG2      THR  53  25.132  12.915   7.120
  426   2HG2  THR  53          2HG2      THR  53  26.443  12.431   6.024
  427   3HG2  THR  53          3HG2      THR  53  25.893  14.122   6.079
  428    H    THR  54           H        THR  54  21.522  11.797   5.523
  429    HA   THR  54           HA       THR  54  21.466  10.317   8.072
  430    HB   THR  54           HB       THR  54  20.276  12.379   9.055
  431    HG1  THR  54           1HG      THR  54  20.824  14.326   8.218
  432   1HG2  THR  54          1HG2      THR  54  22.529  11.605   9.796
  433   2HG2  THR  54          2HG2      THR  54  23.266  12.683   8.587
  434   3HG2  THR  54          3HG2      THR  54  22.305  13.357   9.916
  435    H    GLU  55           H        GLU  55  19.442   9.854   8.825
  436    HA   GLU  55           HA       GLU  55  17.650   8.910   6.908
  437   1HB   GLU  55          2HB       GLU  55  16.968   9.417   9.835
  438   2HB   GLU  55          3HB       GLU  55  16.317   8.201   8.751
  439   1HG   GLU  55          2HG       GLU  55  17.705   6.871   9.944
  440   2HG   GLU  55          3HG       GLU  55  18.838   7.336   8.686
  441    H    LEU  56           H        LEU  56  17.561  11.945   8.745
  442    HA   LEU  56           HA       LEU  56  14.807  12.572   8.135
  443   1HB   LEU  56          2HB       LEU  56  17.178  14.096   9.239
  444   2HB   LEU  56          3HB       LEU  56  15.780  14.987   8.650
  445    HG   LEU  56           HG       LEU  56  14.276  13.873  10.182
  446   1HD1  LEU  56          1HD1      LEU  56  15.257  11.649  10.429
  447   2HD1  LEU  56          2HD1      LEU  56  16.702  12.334  11.211
  448   3HD1  LEU  56          3HD1      LEU  56  15.117  12.408  12.012
  449   1HD2  LEU  56          1HD2      LEU  56  16.772  14.898  11.605
  450   2HD2  LEU  56          2HD2      LEU  56  15.479  15.905  10.916
  451   3HD2  LEU  56          3HD2      LEU  56  15.127  14.832  12.279
  452    H    GLN  57           H        GLN  57  17.872  12.986   6.384
  453    HA   GLN  57           HA       GLN  57  16.665  14.957   4.567
  454   1HB   GLN  57          2HB       GLN  57  19.428  13.684   4.635
  455   2HB   GLN  57          3HB       GLN  57  18.883  14.907   3.467
  456   1HG   GLN  57          2HG       GLN  57  18.330  16.429   5.409
  457   2HG   GLN  57          3HG       GLN  57  19.075  15.256   6.494
  458   1HE2  GLN  57          2HE2      GLN  57  21.437  14.809   6.206
  459   2HE2  GLN  57          1HE2      GLN  57  22.447  16.066   5.511
  460    H    SER  58           H        SER  58  17.523  11.420   4.517
  461    HA   SER  58           HA       SER  58  16.664  11.067   1.786
  462   1HB   SER  58          2HB       SER  58  16.253   8.671   2.652
  463   2HB   SER  58          3HB       SER  58  17.911   9.280   2.655
  464    HG   SER  58           HG       SER  58  16.853   8.235   4.666
  465    H    ASN  59           H        ASN  59  14.972  10.963   4.990
  466    HA   ASN  59           HA       ASN  59  12.397  10.355   4.008
  467   1HB   ASN  59          2HB       ASN  59  12.825  10.409   6.398
  468   2HB   ASN  59          3HB       ASN  59  13.234  12.116   6.343
  469   1HD2  ASN  59          2HD2      ASN  59  11.573  13.610   6.691
  470   2HD2  ASN  59          1HD2      ASN  59   9.880  13.196   6.660
  471    H    ALA  60           H        ALA  60  13.928  13.629   4.356
  472    HA   ALA  60           HA       ALA  60  11.730  15.078   3.344
  473   1HB   ALA  60          1HB       ALA  60  13.681  16.124   4.447
  474   2HB   ALA  60          2HB       ALA  60  14.704  15.708   3.051
  475   3HB   ALA  60          3HB       ALA  60  13.362  16.852   2.861
  476    H    ALA  61           H        ALA  61  14.520  13.626   1.561
  477    HA   ALA  61           HA       ALA  61  13.703  14.489  -1.012
  478   1HB   ALA  61          1HB       ALA  61  15.960  13.640  -0.439
  479   2HB   ALA  61          2HB       ALA  61  15.296  11.998  -0.262
  480   3HB   ALA  61          3HB       ALA  61  15.245  12.816  -1.839
  481    H    LYS  62           H        LYS  62  12.917  11.483   0.795
  482    HA   LYS  62           HA       LYS  62  11.457  10.150  -1.223
  483   1HB   LYS  62          2HB       LYS  62  12.142   9.022   0.801
  484   2HB   LYS  62          3HB       LYS  62  11.247  10.150   1.813
  485   1HG   LYS  62          2HG       LYS  62   9.101   9.293   0.927
  486   2HG   LYS  62          3HG       LYS  62   9.988   8.136  -0.084
  487   1HD   LYS  62          2HD       LYS  62  10.965   7.093   1.913
  488   2HD   LYS  62          3HD       LYS  62  10.199   8.287   2.962
  489   1HE   LYS  62          2HE       LYS  62   8.646   6.364   1.169
  490   2HE   LYS  62          3HE       LYS  62   9.080   6.013   2.844
  491   1HZ   LYS  62          1HZ       LYS  62   7.796   7.961   3.525
  492   2HZ   LYS  62          2HZ       LYS  62   7.330   8.250   1.991
  493   3HZ   LYS  62          3HZ       LYS  62   6.877   6.851   2.750
  494    H    GLU  63           H        GLU  63  10.228  12.367   1.373
  495    HA   GLU  63           HA       GLU  63   7.562  12.320   0.379
  496   1HB   GLU  63          2HB       GLU  63   9.026  14.419   2.039
  497   2HB   GLU  63          3HB       GLU  63   7.286  14.407   1.761
  498   1HG   GLU  63          2HG       GLU  63   8.882  12.255   3.217
  499   2HG   GLU  63          3HG       GLU  63   7.836  13.457   3.951
  500    H    ALA  64           H        ALA  64  10.353  14.352  -0.525
  501    HA   ALA  64           HA       ALA  64   8.846  16.224  -2.076
  502   1HB   ALA  64          1HB       ALA  64  11.085  16.703  -1.167
  503   2HB   ALA  64          2HB       ALA  64  11.788  15.455  -2.222
  504   3HB   ALA  64          3HB       ALA  64  11.049  16.907  -2.927
  505    H    LEU  65           H        LEU  65  10.165  13.005  -2.907
  506    HA   LEU  65           HA       LEU  65   9.568  13.564  -5.786
  507   1HB   LEU  65          2HB       LEU  65  11.804  11.958  -4.518
  508   2HB   LEU  65          3HB       LEU  65  11.403  11.882  -6.227
  509    HG   LEU  65           HG       LEU  65  12.381  14.354  -4.754
  510   1HD1  LEU  65          1HD1      LEU  65  14.113  12.650  -5.131
  511   2HD1  LEU  65          2HD1      LEU  65  13.678  12.544  -6.845
  512   3HD1  LEU  65          3HD1      LEU  65  14.386  14.036  -6.200
  513   1HD2  LEU  65          1HD2      LEU  65  11.686  13.976  -7.706
  514   2HD2  LEU  65          2HD2      LEU  65  10.896  15.089  -6.564
  515   3HD2  LEU  65          3HD2      LEU  65  12.569  15.364  -7.035
  516    H    GLN  66           H        GLN  66   8.481  11.499  -3.241
  517    HA   GLN  66           HA       GLN  66   7.785   9.215  -4.797
  518   1HB   GLN  66          2HB       GLN  66   6.482  10.610  -2.437
  519   2HB   GLN  66          3HB       GLN  66   5.637   9.314  -3.287
  520   1HG   GLN  66          2HG       GLN  66   7.544   7.784  -2.899
  521   2HG   GLN  66          3HG       GLN  66   8.342   9.023  -1.931
  522   1HE2  GLN  66          2HE2      GLN  66   7.360   6.269  -1.077
  523   2HE2  GLN  66          1HE2      GLN  66   6.132   6.562   0.123
  524    H    GLY  67           H        GLY  67   6.687   9.096  -6.632
  525   1HA   GLY  67          2HA       GLY  67   4.754   9.321  -7.933
  526   2HA   GLY  67          3HA       GLY  67   4.344  10.836  -7.132
  527    H    PHE  68           H        PHE  68   7.588  11.259  -7.762
  528    HA   PHE  68           HA       PHE  68   7.058  13.182  -9.802
  529   1HB   PHE  68          2HB       PHE  68   8.887  13.381  -8.170
  530   2HB   PHE  68          3HB       PHE  68   9.675  11.955  -8.841
  531    HD1  PHE  68           HD1      PHE  68   8.600  15.455  -9.645
  532    HD2  PHE  68           HD2      PHE  68  11.127  12.131 -10.745
  533    HE1  PHE  68           HE1      PHE  68   9.780  16.891 -11.290
  534    HE2  PHE  68           HE2      PHE  68  12.305  13.577 -12.382
  535    HZ   PHE  68           HZ       PHE  68  11.637  15.956 -12.659
  536    H    LYS  69           H        LYS  69   6.805  12.870 -11.980
  537    HA   LYS  69           HA       LYS  69   7.344  10.313 -13.266
  538   1HB   LYS  69          2HB       LYS  69   6.319  13.017 -14.137
  539   2HB   LYS  69          3HB       LYS  69   7.088  12.007 -15.347
  540   1HG   LYS  69          2HG       LYS  69   4.805  11.570 -15.493
  541   2HG   LYS  69          3HG       LYS  69   5.559  10.129 -14.801
  542   1HD   LYS  69          2HD       LYS  69   4.771  10.881 -12.531
  543   2HD   LYS  69          3HD       LYS  69   3.944  12.240 -13.301
  544   1HE   LYS  69          2HE       LYS  69   3.415   9.263 -13.754
  545   2HE   LYS  69          3HE       LYS  69   2.393  10.384 -12.852
  546   1HZ   LYS  69          1HZ       LYS  69   2.047  11.593 -14.972
  547   2HZ   LYS  69          2HZ       LYS  69   2.888  10.424 -15.778
  548   3HZ   LYS  69          3HZ       LYS  69   1.491  10.064 -15.021
  549    H    ILE  70           H        ILE  70   9.438   9.659 -13.361
  550    HA   ILE  70           HA       ILE  70  11.662  11.471 -13.881
  551    HB   ILE  70           HB       ILE  70  11.440   8.459 -14.259
  552   1HG1  ILE  70          2HG1      ILE  70  12.629  10.024 -11.917
  553   2HG1  ILE  70          3HG1      ILE  70  11.034   9.274 -11.896
  554   1HG2  ILE  70          1HG2      ILE  70  13.342   9.484 -15.538
  555   2HG2  ILE  70          2HG2      ILE  70  13.932  10.226 -14.039
  556   3HG2  ILE  70          3HG2      ILE  70  13.920   8.461 -14.236
  557   1HD1  ILE  70          1HD1      ILE  70  12.043   7.047 -12.253
  558   2HD1  ILE  70          2HD1      ILE  70  13.666   7.778 -12.141
  559   3HD1  ILE  70          3HD1      ILE  70  12.564   7.835 -10.763
  560    H    THR  71           H        THR  71   9.537   9.329 -15.816
  561    HA   THR  71           HA       THR  71   9.743  11.228 -18.015
  562    HB   THR  71           HB       THR  71   9.682   9.417 -19.706
  563    HG1  THR  71           1HG      THR  71  10.347   7.344 -19.056
  564   1HG2  THR  71          1HG2      THR  71  11.867  10.467 -19.094
  565   2HG2  THR  71          2HG2      THR  71  12.157   9.129 -17.959
  566   3HG2  THR  71          3HG2      THR  71  12.015   8.811 -19.699
  567    HA   PRO  72           HA       PRO  72   5.574  11.588 -17.704
  568   1HB   PRO  72          2HB       PRO  72   4.995  10.231 -20.348
  569   2HB   PRO  72          3HB       PRO  72   4.320  11.762 -19.700
  570   1HG   PRO  72          2HG       PRO  72   6.366  11.848 -21.459
  571   2HG   PRO  72          3HG       PRO  72   6.415  12.891 -20.000
  572   1HD   PRO  72          2HD       PRO  72   7.825  10.271 -20.494
  573   2HD   PRO  72          3HD       PRO  72   8.444  11.762 -19.721
  574    H    THR  73           H        THR  73   6.272   8.205 -18.531
  575    HA   THR  73           HA       THR  73   3.718   7.301 -17.361
  576    HB   THR  73           HB       THR  73   4.491   5.173 -18.641
  577    HG1  THR  73           1HG      THR  73   5.992   5.556 -20.250
  578   1HG2  THR  73          1HG2      THR  73   2.687   6.696 -19.420
  579   2HG2  THR  73          2HG2      THR  73   3.895   7.722 -20.221
  580   3HG2  THR  73          3HG2      THR  73   3.633   6.051 -20.768
  581    H    HIS  74           H        HIS  74   6.638   7.948 -16.054
  582    HA   HIS  74           HA       HIS  74   6.705   5.473 -14.379
  583   1HB   HIS  74          2HB       HIS  74   9.071   6.922 -15.593
  584   2HB   HIS  74          3HB       HIS  74   9.133   5.571 -14.454
  585    HD1  HIS  74           HD1      HIS  74   8.794   6.274 -18.112
  586    HD2  HIS  74           HD2      HIS  74   8.103   3.134 -15.397
  587    HE1  HIS  74           HE1      HIS  74   8.498   4.158 -19.520
  588    H    ALA  75           H        ALA  75   5.343   6.861 -13.065
  589    HA   ALA  75           HA       ALA  75   6.433   9.016 -11.484
  590   1HB   ALA  75          1HB       ALA  75   4.016   8.569 -11.563
  591   2HB   ALA  75          2HB       ALA  75   4.269   6.935 -10.907
  592   3HB   ALA  75          3HB       ALA  75   4.616   8.356  -9.912
  593    H    MET  76           H        MET  76   8.247   8.767 -10.310
  594    HA   MET  76           HA       MET  76   9.514   6.376  -9.535
  595   1HB   MET  76          2HB       MET  76  10.493   8.696  -9.714
  596   2HB   MET  76          3HB       MET  76   9.628   9.148  -8.248
  597   1HG   MET  76          2HG       MET  76  10.873   7.225  -7.095
  598   2HG   MET  76          3HG       MET  76  11.870   7.124  -8.542
  599   1HE   MET  76          1HE       MET  76  13.563   9.207  -9.328
  600   2HE   MET  76          2HE       MET  76  12.154  10.301  -9.326
  601   3HE   MET  76          3HE       MET  76  13.628  10.737  -8.439
  602    H    LYS  77           H        LYS  77   8.770   4.856  -8.076
  603    HA   LYS  77           HA       LYS  77   7.284   5.799  -5.657
  604   1HB   LYS  77          2HB       LYS  77   7.763   3.088  -6.909
  605   2HB   LYS  77          3HB       LYS  77   7.457   3.227  -5.172
  606   1HG   LYS  77          2HG       LYS  77   5.356   4.562  -5.769
  607   2HG   LYS  77          3HG       LYS  77   5.597   4.037  -7.443
  608   1HD   LYS  77          2HD       LYS  77   5.328   2.197  -5.015
  609   2HD   LYS  77          3HD       LYS  77   4.001   2.608  -6.108
  610   1HE   LYS  77          2HE       LYS  77   5.008   1.476  -7.957
  611   2HE   LYS  77          3HE       LYS  77   6.564   1.322  -7.126
  612   1HZ   LYS  77          1HZ       LYS  77   5.620  -0.239  -5.617
  613   2HZ   LYS  77          2HZ       LYS  77   4.097  -0.035  -6.214
  614   3HZ   LYS  77          3HZ       LYS  77   5.251  -0.743  -7.124
  615    H    ILE  78           H        ILE  78   8.224   5.351  -3.601
  616    HA   ILE  78           HA       ILE  78  11.114   4.807  -3.487
  617    HB   ILE  78           HB       ILE  78   9.897   7.290  -2.224
  618   1HG1  ILE  78          2HG1      ILE  78  11.532   7.261  -4.787
  619   2HG1  ILE  78          3HG1      ILE  78   9.822   7.675  -4.652
  620   1HG2  ILE  78          1HG2      ILE  78  11.940   6.304  -1.142
  621   2HG2  ILE  78          2HG2      ILE  78  12.818   6.555  -2.665
  622   3HG2  ILE  78          3HG2      ILE  78  12.194   7.928  -1.731
  623   1HD1  ILE  78          1HD1      ILE  78  10.425   9.577  -3.155
  624   2HD1  ILE  78          2HD1      ILE  78  12.139   9.269  -3.523
  625   3HD1  ILE  78          3HD1      ILE  78  11.017   9.702  -4.815
  626    H    THR  79           H        THR  79  11.591   3.855  -1.552
  627    HA   THR  79           HA       THR  79   9.743   3.869   0.739
  628    HB   THR  79           HB       THR  79  10.552   1.257   0.731
  629    HG1  THR  79           1HG      THR  79  11.300   1.734  -1.587
  630   1HG2  THR  79          1HG2      THR  79   8.230   2.058   1.028
  631   2HG2  THR  79          2HG2      THR  79   8.074   2.271  -0.729
  632   3HG2  THR  79          3HG2      THR  79   8.311   0.650  -0.027
  633    H    PHE  80           H        PHE  80  11.022   3.110   2.725
  634    HA   PHE  80           HA       PHE  80  13.837   3.947   2.553
  635   1HB   PHE  80          2HB       PHE  80  12.172   2.806   4.825
  636   2HB   PHE  80          3HB       PHE  80  13.870   3.243   4.956
  637    HD1  PHE  80           HD1      PHE  80  10.524   4.477   5.278
  638    HD2  PHE  80           HD2      PHE  80  14.538   5.689   4.264
  639    HE1  PHE  80           HE1      PHE  80   9.923   6.839   5.715
  640    HE2  PHE  80           HE2      PHE  80  13.927   8.058   4.682
  641    HZ   PHE  80           HZ       PHE  80  11.605   8.630   5.401
  642    H    ALA  81           H        ALA  81  15.535   2.577   2.334
  643    HA   ALA  81           HA       ALA  81  15.080  -0.314   1.880
  644   1HB   ALA  81          1HB       ALA  81  16.762   0.912   0.498
  645   2HB   ALA  81          2HB       ALA  81  17.646   1.327   1.983
  646   3HB   ALA  81          3HB       ALA  81  17.507  -0.365   1.473
  647    H    LYS  82           H        LYS  82  16.638  -1.755   3.253
  648    HA   LYS  82           HA       LYS  82  16.688  -0.835   6.098
  649   1HB   LYS  82          2HB       LYS  82  15.812  -3.541   4.997
  650   2HB   LYS  82          3HB       LYS  82  16.107  -3.204   6.700
  651   1HG   LYS  82          2HG       LYS  82  14.061  -2.320   6.985
  652   2HG   LYS  82          3HG       LYS  82  14.317  -1.160   5.702
  653   1HD   LYS  82          2HD       LYS  82  12.399  -2.305   5.036
  654   2HD   LYS  82          3HD       LYS  82  13.675  -3.009   4.038
  655   1HE   LYS  82          2HE       LYS  82  13.824  -4.926   5.673
  656   2HE   LYS  82          3HE       LYS  82  12.529  -4.183   6.620
  657   1HZ   LYS  82          1HZ       LYS  82  11.109  -4.382   4.593
  658   2HZ   LYS  82          2HZ       LYS  82  12.298  -5.237   3.867
  659   3HZ   LYS  82          3HZ       LYS  82  11.583  -5.830   5.206
  660    H    LYS  83           H        LYS  83  18.342  -1.903   7.384
  661    HA   LYS  83           HA       LYS  83  20.762  -2.498   5.737
  662   1HB   LYS  83          2HB       LYS  83  20.539  -1.045   8.406
  663   2HB   LYS  83          3HB       LYS  83  22.043  -1.454   7.572
  664   1HG   LYS  83          2HG       LYS  83  21.334  -0.064   5.626
  665   2HG   LYS  83          3HG       LYS  83  19.880   0.412   6.507
  666   1HD   LYS  83          2HD       LYS  83  22.749   1.026   7.328
  667   2HD   LYS  83          3HD       LYS  83  21.602   2.155   6.590
  668   1HE   LYS  83          2HE       LYS  83  20.074   1.830   8.569
  669   2HE   LYS  83          3HE       LYS  83  21.324   0.828   9.324
  670   1HZ   LYS  83          1HZ       LYS  83  22.798   2.784   9.242
  671   2HZ   LYS  83          2HZ       LYS  83  21.582   3.693   8.625
  672   3HZ   LYS  83          3HZ       LYS  83  21.460   3.072  10.125